,feature_id,component_id,structure_taxonomy_npclassifier_01pathway_consensus,structure_taxonomy_npclassifier_02superclass_consensus,structure_taxonomy_npclassifier_03class_consensus,msms_score,libname,structure_inchikey,structure_inchi,structure_smiles,structure_molecular_formula,adduct,structure_exact_mass,short_inchikey,structure_taxonomy_npclassifier_01pathway,structure_taxonomy_npclassifier_02superclass,structure_taxonomy_npclassifier_03class,organism_name,organism_taxonomy_ottid,organism_taxonomy_01domain,organism_taxonomy_02kingdom,organism_taxonomy_03phylum,organism_taxonomy_04class,organism_taxonomy_05order,organism_taxonomy_06family,organism_taxonomy_07tribe,organism_taxonomy_08genus,organism_taxonomy_09species,score_taxo,score_max_consistency,final_score 168984,7387,7,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.286411,ISDB,NEIGCWDMEKOLNJ-FAHMQYDOSA-N,"InChI=1S/C38H48O5/c1-22(2)14-13-15-24(5)18-19-36-20-27-28-30(40)34(6,7)26(23(3)4)21-37(28,31(36)41)33(43)38(32(36)42,35(27,8)9)29(39)25-16-11-10-12-17-25/h10-12,14,16-18,26-28,30,40H,3,13,15,19-21H2,1-2,4-9H3/b24-18+/t26-,27-,28-,30-,36+,37-,38+/m0/s1",C=C(C)[C@@H]1C[C@@]23C(=O)[C@@]4(C/C=C(\C)CCC=C(C)C)C[C@@H]([C@H]2[C@H](O)C1(C)C)C(C)(C)[C@](C(=O)c1ccccc1)(C4=O)C3=O,C38H48O5,,584.350174636,NEIGCWDMEKOLNJ,Polyketides,Meroterpenoids,Polyprenylated cyclic polyketides (Hop meroterpenoids),Hypericum sampsonii,354150.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Hypericaceae'],['Hypericeae'],['Hypericum'],['Hypericum sampsonii'],4,0,5.145643949508667 168983,7375,7,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.22697395,ISDB,,,,,,,AXWBBSIHTKEQAG,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.9078958034515381 168938,7372,-1,,,,0.0,MS1_match,RKWHWFONKJEUEF-WYFQJXRYSA-N,"InChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26)/t16-,17+,18+,19-,21?/m1/s1",[O-]c1cc(-c2[o+]c3cc(O)cc(O)c3cc2OC2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)ccc1O,C21H20O11,pos_1_1proton,448.10056146,RKWHWFONKJEUEF,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],8,0,8.0 168929,7371,-1,,,,0.44713435,ISDB,ZAIQNYMNZNXUAF-FOWTUZBSSA-N,"InChI=1S/C23H26O4/c1-15(2)8-7-9-16(3)12-13-18-19(24)14-20(25)21(23(18)27)22(26)17-10-5-4-6-11-17/h4-6,8,10-12,14,24-25,27H,7,9,13H2,1-3H3/b16-12+",CC(C)=CCC/C(C)=C/Cc1c(O)cc(O)c(C(=O)c2ccccc2)c1O,C23H26O4,,366.183109312,ZAIQNYMNZNXUAF,Polyketides,Phloroglucinols,"Prenylated,geranylated phloroglucinols",Helichrysum monticola,5784760.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Helichrysum'],['Helichrysum monticola'],4,0,5.788537383079529 168930,7371,-1,,,,0.44713435,ISDB,ZAIQNYMNZNXUAF-FOWTUZBSSA-N,"InChI=1S/C23H26O4/c1-15(2)8-7-9-16(3)12-13-18-19(24)14-20(25)21(23(18)27)22(26)17-10-5-4-6-11-17/h4-6,8,10-12,14,24-25,27H,7,9,13H2,1-3H3/b16-12+",CC(C)=CCC/C(C)=C/Cc1c(O)cc(O)c(C(=O)c2ccccc2)c1O,C23H26O4,,366.183109312,ZAIQNYMNZNXUAF,Polyketides,Phloroglucinols,"Prenylated,geranylated phloroglucinols",Hypericum roeperianum,905362.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Hypericaceae'],['Hypericeae'],['Hypericum'],['Hypericum roeperianum'],4,0,5.788537383079529 168931,7371,-1,,,,0.44713435,ISDB,ZAIQNYMNZNXUAF-FOWTUZBSSA-N,"InChI=1S/C23H26O4/c1-15(2)8-7-9-16(3)12-13-18-19(24)14-20(25)21(23(18)27)22(26)17-10-5-4-6-11-17/h4-6,8,10-12,14,24-25,27H,7,9,13H2,1-3H3/b16-12+",CC(C)=CCC/C(C)=C/Cc1c(O)cc(O)c(C(=O)c2ccccc2)c1O,C23H26O4,,366.183109312,ZAIQNYMNZNXUAF,Polyketides,Phloroglucinols,"Prenylated,geranylated phloroglucinols",Garcinia vieillardii,6099919.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Clusiaceae'],['Garcinieae'],['Garcinia'],['Garcinia vieillardii'],4,0,5.788537383079529 168932,7371,-1,,,,0.44713435,ISDB,ZAIQNYMNZNXUAF-FOWTUZBSSA-N,"InChI=1S/C23H26O4/c1-15(2)8-7-9-16(3)12-13-18-19(24)14-20(25)21(23(18)27)22(26)17-10-5-4-6-11-17/h4-6,8,10-12,14,24-25,27H,7,9,13H2,1-3H3/b16-12+",CC(C)=CCC/C(C)=C/Cc1c(O)cc(O)c(C(=O)c2ccccc2)c1O,C23H26O4,,366.183109312,ZAIQNYMNZNXUAF,Polyketides,Phloroglucinols,"Prenylated,geranylated phloroglucinols",Tovomita krukovii,6099574.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Clusiaceae'],['Clusieae'],['Tovomita'],['Tovomita krukovii'],4,0,5.788537383079529 168933,7371,-1,,,,0.44713435,ISDB,ZAIQNYMNZNXUAF-FOWTUZBSSA-N,"InChI=1S/C23H26O4/c1-15(2)8-7-9-16(3)12-13-18-19(24)14-20(25)21(23(18)27)22(26)17-10-5-4-6-11-17/h4-6,8,10-12,14,24-25,27H,7,9,13H2,1-3H3/b16-12+",CC(C)=CCC/C(C)=C/Cc1c(O)cc(O)c(C(=O)c2ccccc2)c1O,C23H26O4,,366.183109312,ZAIQNYMNZNXUAF,Polyketides,Phloroglucinols,"Prenylated,geranylated phloroglucinols",Helichrysum crispum,5784788.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Helichrysum'],['Helichrysum crispum'],4,0,5.788537383079529 168934,7371,-1,,,,0.44713435,ISDB,ZAIQNYMNZNXUAF-FOWTUZBSSA-N,"InChI=1S/C23H26O4/c1-15(2)8-7-9-16(3)12-13-18-19(24)14-20(25)21(23(18)27)22(26)17-10-5-4-6-11-17/h4-6,8,10-12,14,24-25,27H,7,9,13H2,1-3H3/b16-12+",CC(C)=CCC/C(C)=C/Cc1c(O)cc(O)c(C(=O)c2ccccc2)c1O,C23H26O4,,366.183109312,ZAIQNYMNZNXUAF,Polyketides,Phloroglucinols,"Prenylated,geranylated phloroglucinols",Leontonyx,968337.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Helichrysum'],['Unknown'],4,0,5.788537383079529 168935,7371,-1,,,,0.44713435,ISDB,ZAIQNYMNZNXUAF-FOWTUZBSSA-N,"InChI=1S/C23H26O4/c1-15(2)8-7-9-16(3)12-13-18-19(24)14-20(25)21(23(18)27)22(26)17-10-5-4-6-11-17/h4-6,8,10-12,14,24-25,27H,7,9,13H2,1-3H3/b16-12+",CC(C)=CCC/C(C)=C/Cc1c(O)cc(O)c(C(=O)c2ccccc2)c1O,C23H26O4,,366.183109312,ZAIQNYMNZNXUAF,Polyketides,Phloroglucinols,"Prenylated,geranylated phloroglucinols",Tovomita longifolia,176665.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Clusiaceae'],['Clusieae'],['Tovomita'],['Tovomita longifolia'],4,0,5.788537383079529 168927,7370,161,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,0.0,MS1_match,HTKODPPFQUGBMU-GQJRUFTLSA-N,"InChI=1S/C19H30O8/c1-9(20)25-11-7-8-17(5,24)19-14(22)12(16(3,4)27-19)13(26-10(2)21)15(23)18(11,19)6/h11-15,22-24H,7-8H2,1-6H3/t11-,12+,13-,14+,15-,17-,18-,19-/m0/s1",CC(=O)O[C@H]1[C@@H]2[C@@H](O)[C@@]3(OC2(C)C)[C@@](C)([C@@H](OC(C)=O)CC[C@]3(C)O)[C@H]1O,C19H30O8,pos_1_1proton1ammonium,386.1940679199999,HTKODPPFQUGBMU,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Celastrus vulcanicolus,458835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Celastrus'],['Celastrus vulcanicola'],6,3,7.5 168928,7370,161,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,0.0,MS1_match,HTKODPPFQUGBMU-GQJRUFTLSA-N,"InChI=1S/C19H30O8/c1-9(20)25-11-7-8-17(5,24)19-14(22)12(16(3,4)27-19)13(26-10(2)21)15(23)18(11,19)6/h11-15,22-24H,7-8H2,1-6H3/t11-,12+,13-,14+,15-,17-,18-,19-/m0/s1",CC(=O)O[C@H]1[C@@H]2[C@@H](O)[C@@]3(OC2(C)C)[C@@](C)([C@@H](OC(C)=O)CC[C@]3(C)O)[C@H]1O,C19H30O8,pos_1_1proton1ammonium,386.1940679199999,HTKODPPFQUGBMU,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Celastrus vulcanicola,458835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Celastrus'],['Celastrus vulcanicola'],6,3,7.5 168891,7367,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.529777,ISDB,CMXCLTFHXRTSPB-WIXFNSMHSA-N,"InChI=1S/C30H44O2/c1-18(2)9-7-10-19(3)23-14-22-16-30(25(23)13-21(22)5)26-15-24-20(4)11-8-12-29(24,6)17-27(26)32-28(30)31/h9,13,15,19-20,22-23,25-27H,7-8,10-12,14,16-17H2,1-6H3/t19-,20-,22+,23-,25-,26-,27+,29+,30-/m0/s1",CC(C)=CCC[C@H](C)[C@@H]1C[C@@H]2C[C@]3(C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)C5=C[C@@H]43)[C@H]1C=C2C,C30H44O2,,436.334130648,CMXCLTFHXRTSPB,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Helenium autumnale,483908.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Helenieae'],['Helenium'],['Helenium autumnale'],4,2,7.119107961654663 168816,7363,167,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.70603603,ISDB,HEURLRKWAYKLCX-DEOSSOPVSA-N,"InChI=1S/C30H20O10/c31-15-4-1-13(2-5-15)24-12-23(38)29-21(36)10-20(35)27(30(29)40-24)17-7-14(3-6-18(17)33)25-11-22(37)28-19(34)8-16(32)9-26(28)39-25/h1-11,24,31-36H,12H2/t24-/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2c1c(O)cc(O)c2-c1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)ccc1O,C30H20O10,,540.10564684,HEURLRKWAYKLCX,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Viburnum jucundum,572534.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Adoxaceae'],['Unknown'],['Viburnum'],['Viburnum jucundum'],5,3,9.324144124984741 168796,7362,545,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,0.41419813,ISDB,JTRQVQVHKAAXON-VIFPVBQESA-N,"InChI=1S/C13H17NO4/c1-4-9(12(15)17-2)8-11-10(13(16)18-3)6-5-7-14-11/h5-7,9H,4,8H2,1-3H3/t9-/m0/s1",CC[C@@H](Cc1ncccc1C(=O)OC)C(=O)OC,C13H17NO4,,251.115758024,JTRQVQVHKAAXON,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Tripterygium wilfordii,300831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium wilfordii'],4,1,6.156792521476746 168794,7352,-1,,,,0.0,MS1_match,GEWDNTWNSAZUDX-WQMVXFAESA-N,"InChI=1S/C13H20O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h4-5,10-11H,3,6-9H2,1-2H3/b5-4-/t10-,11-/m1/s1",CC/C=C\C[C@H]1C(=O)CC[C@@H]1CC(=O)OC,C13H20O3,pos_1_minus1proton2sodium,224.1412445,GEWDNTWNSAZUDX,Fatty acids,Octadecanoids,Jasmonic acids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 168783,7345,-1,,,,0.0,MS1_match,SXGDMINSYARVTP-ZTUHZDJASA-N,"InChI=1S/C17H28O3/c1-10-8-14(19-11(2)18)15-13(10)9-12-6-7-17(15,5)20-16(12,3)4/h10,12-15H,6-9H2,1-5H3/t10-,12-,13-,14-,15+,17+/m1/s1",CC(=O)O[C@@H]1C[C@@H](C)[C@H]2C[C@H]3CC[C@](C)(OC3(C)C)[C@@H]21,C17H28O3,pos_2MHNH3,280.203844756,SXGDMINSYARVTP,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 168784,7345,-1,,,,0.0,MS1_match,SXGDMINSYARVTP-LPYKJYNFSA-N,"InChI=1S/C17H28O3/c1-10-8-14(19-11(2)18)15-13(10)9-12-6-7-17(15,5)20-16(12,3)4/h10,12-15H,6-9H2,1-5H3/t10-,12+,13-,14-,15+,17-/m1/s1",CC(=O)O[C@@H]1C[C@@H](C)[C@H]2C[C@@H]3CC[C@@](C)(OC3(C)C)[C@@H]21,C17H28O3,pos_2MHNH3,280.203844756,SXGDMINSYARVTP,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Valeriana fauriei,228778.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana fauriei'],6,0,6.0 168785,7345,-1,,,,0.0,MS1_match,CGBOQYJQRLRGIE-QFCZPAJMSA-N,"InChI=1S/C17H28O3/c1-10-6-7-13-12(10)8-14-15(19-11(2)18)9-17(13,5)20-16(14,3)4/h10,12-15H,6-9H2,1-5H3/t10-,12-,13-,14+,15+,17+/m1/s1",CC(=O)O[C@H]1C[C@]2(C)OC(C)(C)[C@H]1C[C@@H]1[C@H](C)CC[C@H]12,C17H28O3,pos_2MHNH3,280.203844756,CGBOQYJQRLRGIE,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 168786,7345,-1,,,,0.0,MS1_match,CGBOQYJQRLRGIE-QFCZPAJMSA-N,"InChI=1S/C17H28O3/c1-10-6-7-13-12(10)8-14-15(19-11(2)18)9-17(13,5)20-16(14,3)4/h10,12-15H,6-9H2,1-5H3/t10-,12-,13-,14+,15+,17+/m1/s1",CC(=O)O[C@H]1C[C@]2(C)OC(C)(C)[C@H]1C[C@@H]1[C@H](C)CC[C@H]12,C17H28O3,pos_2MHNH3,280.203844756,CGBOQYJQRLRGIE,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Valeriana fauriei,228778.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana fauriei'],6,0,6.0 168787,7345,-1,,,,0.0,MS1_match,GHMRGLKPQJPFCD-DJIMGWMZSA-N,"InChI=1S/C17H28O3/c1-12(2)7-6-8-14(4)17(19)10-9-13(3)11-16(17)20-15(5)18/h7,11,14,16,19H,6,8-10H2,1-5H3/t14-,16-,17-/m1/s1",CC(=O)O[C@@H]1C=C(C)CC[C@@]1(O)[C@H](C)CCC=C(C)C,C17H28O3,pos_2MHNH3,280.203844756,GHMRGLKPQJPFCD,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 168788,7345,-1,,,,0.0,MS1_match,GHMRGLKPQJPFCD-DJIMGWMZSA-N,"InChI=1S/C17H28O3/c1-12(2)7-6-8-14(4)17(19)10-9-13(3)11-16(17)20-15(5)18/h7,11,14,16,19H,6,8-10H2,1-5H3/t14-,16-,17-/m1/s1",CC(=O)O[C@@H]1C=C(C)CC[C@@]1(O)[C@H](C)CCC=C(C)C,C17H28O3,pos_2MHNH3,280.203844756,GHMRGLKPQJPFCD,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Valeriana fauriei,228778.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana fauriei'],6,0,6.0 168789,7345,-1,,,,0.0,MS1_match,DWBIYQVLFODAMM-JWQALPOXSA-N,"InChI=1S/C17H28O3/c1-11-5-6-15-14(11)9-13-7-8-16(15,3)20-17(13,4)10-19-12(2)18/h11,13-15H,5-10H2,1-4H3/t11-,13-,14-,15-,16+,17-/m1/s1",CC(=O)OC[C@@]1(C)O[C@@]2(C)CC[C@@H]1C[C@@H]1[C@H](C)CC[C@H]12,C17H28O3,pos_2MHNH3,280.203844756,DWBIYQVLFODAMM,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 168790,7345,-1,,,,0.0,MS1_match,RAPAFGOPSFDECW-CKQPZERJSA-N,"InChI=1S/C17H28O3/c1-10-6-7-17(19)15(3,4)13-8-12(10)16(17,5)9-14(13)20-11(2)18/h10,12-14,19H,6-9H2,1-5H3/t10-,12-,13-,14-,16-,17+/m0/s1",CC(=O)O[C@H]1C[C@@]2(C)[C@H]3C[C@@H]1C(C)(C)[C@]2(O)CC[C@@H]3C,C17H28O3,pos_2MHNH3,280.203844756,RAPAFGOPSFDECW,Terpenoids,Sesquiterpenoids,Patchoulane sesquiterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,0,6.0 168791,7345,-1,,,,0.0,MS1_match,RAPAFGOPSFDECW-UCDKGCPTSA-N,"InChI=1S/C17H28O3/c1-10-6-7-17(19)15(3,4)13-8-12(10)16(17,5)9-14(13)20-11(2)18/h10,12-14,19H,6-9H2,1-5H3/t10-,12-,13-,14+,16-,17+/m0/s1",CC(=O)O[C@@H]1C[C@@]2(C)[C@H]3C[C@@H]1C(C)(C)[C@]2(O)CC[C@@H]3C,C17H28O3,pos_2MHNH3,280.203844756,RAPAFGOPSFDECW,Terpenoids,Sesquiterpenoids,Patchoulane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 168792,7345,-1,,,,0.0,MS1_match,RAPAFGOPSFDECW-UCDKGCPTSA-N,"InChI=1S/C17H28O3/c1-10-6-7-17(19)15(3,4)13-8-12(10)16(17,5)9-14(13)20-11(2)18/h10,12-14,19H,6-9H2,1-5H3/t10-,12-,13-,14+,16-,17+/m0/s1",CC(=O)O[C@@H]1C[C@@]2(C)[C@H]3C[C@@H]1C(C)(C)[C@]2(O)CC[C@@H]3C,C17H28O3,pos_2MHNH3,280.203844756,RAPAFGOPSFDECW,Terpenoids,Sesquiterpenoids,Patchoulane sesquiterpenoids,Valeriana fauriei,228778.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana fauriei'],6,0,6.0 168793,7345,-1,,,,0.0,MS1_match,ODJYOWOONQGNHL-ANCINPQNSA-N,"InChI=1S/C17H28O3/c1-10-13-8-12-6-7-17(5,20-16(12,3)4)14(13)9-15(10)19-11(2)18/h10,12-15H,6-9H2,1-5H3/t10-,12-,13+,14+,15-,17+/m0/s1",CC(=O)O[C@H]1C[C@@H]2[C@H](C[C@@H]3CC[C@@]2(C)OC3(C)C)[C@@H]1C,C17H28O3,pos_2MHNH3,280.203844756,ODJYOWOONQGNHL,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 168780,7344,-1,,,,0.0,MS1_match,NFPZOORPDJBGME-BLOZSHLCSA-N,"InChI=1S/C30H48O6/c1-16-9-12-30(25(35)36)14-13-27(4)18(21(30)17(16)2)7-8-20-28(27,5)11-10-19-26(3,15-31)23(33)22(32)24(34)29(19,20)6/h7,16-17,19-24,31-34H,8-15H2,1-6H3,(H,35,36)/t16-,17+,19+,20+,21+,22+,23-,24-,26+,27-,28-,29+,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)[C@H](O)[C@@H](O)[C@@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@H]12,C30H48O6,pos_1_1proton1ammonium,504.3450892559999,NFPZOORPDJBGME,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Weigela subsessilis,82213.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Weigela'],['Weigela subsessilis'],6,0,6.0 168781,7344,-1,,,,0.0,MS1_match,BIXXLFVSLLLVKL-AQKLCLBQSA-N,"InChI=1S/C30H48O6/c1-16-13-30(24(33)28(6,34)15-35-30)36-19-14-27(5)17-8-9-20-25(2,3)21(31)10-11-26(20,4)18(17)12-22(32)29(27,7)23(16)19/h16,19-24,31-34H,8-15H2,1-7H3/t16-,19+,20+,21+,22-,23+,24-,26-,27+,28+,29-,30+/m1/s1",C[C@@H]1C[C@]2(OC[C@](C)(O)[C@H]2O)O[C@H]2C[C@@]3(C)C4=C(C[C@@H](O)[C@]3(C)[C@@H]12)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC4,C30H48O6,pos_1_1proton1ammonium,504.345089256,BIXXLFVSLLLVKL,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Actaea yunnanensis,512689.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea yunnanensis'],6,0,6.0 168782,7344,-1,,,,0.0,MS1_match,DBDGFZLAYDIKSV-JWFUOXDNSA-N,"InChI=1S/C15H24O3/c1-9-6-5-7-10-11(16)8-12(17)13(14(2,3)18)15(9,10)4/h7,9,12-13,17-18H,5-6,8H2,1-4H3/t9-,12-,13+,15+/m1/s1",C[C@@H]1CCC=C2C(=O)C[C@@H](O)[C@@H](C(C)(C)O)[C@]21C,C15H24O3,pos_2MHNH3,252.172544628,DBDGFZLAYDIKSV,Terpenoids,Sesquiterpenoids,Nardosinane sesquiterpenoids,Nardostachys jatamansi,24101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Nardostachys'],['Nardostachys jatamansi'],6,0,6.0 168692,7339,847,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,0.6661478,ISDB,DWGKMGKTDBRQJE-AFHBHXEDSA-N,"InChI=1S/C21H22O7/c1-23-16-5-11(3-4-15(16)22)19-13-8-26-20(14(13)9-25-19)12-6-17(24-2)21-18(7-12)27-10-28-21/h3-7,13-14,19-20,22H,8-10H2,1-2H3/t13-,14-,19+,20+/m0/s1",COc1cc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2cc(OC)c3c(c2)OCO3)ccc1O,C21H22O7,,386.136553044,DWGKMGKTDBRQJE,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Nectandra turbacensis,1081324.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Nectandra'],['Nectandra turbacensis'],4,3,8.164591312408447 168690,7338,656,Fatty acids,Octadecanoids,Other Octadecanoids,0.0,MS1_match,NPDSHTNEKLQQIJ-ZJHFMPGASA-N,"InChI=1S/C18H32O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14,17,19H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-6-,14-11+",CCCCC/C=C\C=C\C(O)CCCCCCCC(=O)O,C18H32O3,pos_2MHCH3CN,296.235144884,NPDSHTNEKLQQIJ,Fatty acids,Octadecanoids,Other Octadecanoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,3,7.5 168691,7338,656,Fatty acids,Octadecanoids,Other Octadecanoids,0.0,MS1_match,NPDSHTNEKLQQIJ-ZJHFMPGASA-N,"InChI=1S/C18H32O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14,17,19H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-6-,14-11+",CCCCC/C=C\C=C\C(O)CCCCCCCC(=O)O,C18H32O3,pos_2MHCH3CN,296.235144884,NPDSHTNEKLQQIJ,Fatty acids,Octadecanoids,Other Octadecanoids,Valeriana fauriei,228778.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana fauriei'],6,3,7.5 168688,7334,-1,,,,0.0,MS1_match,NFUHNVZGHNEYRG-GKRKWVKGSA-N,"InChI=1S/C26H36O12/c1-34-18-11-15(6-7-16(18)29)22(30)20(12-27)37-17-8-5-14(10-19(17)35-2)4-3-9-36-26-25(33)24(32)23(31)21(13-28)38-26/h5-8,10-11,20-33H,3-4,9,12-13H2,1-2H3/t20-,21-,22+,23-,24+,25-,26-/m1/s1",COc1cc([C@H](O)[C@@H](CO)Oc2ccc(CCCO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2OC)ccc1O,C26H36O12,pos_1_1proton2acetonitrile,540.2206765919998,NFUHNVZGHNEYRG,Shikimates and Phenylpropanoids,Lignans,Neolignans,Salacia chinensis,380833.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Salacia'],['Salacia chinensis'],6,0,6.0 168689,7334,-1,,,,0.0,MS1_match,NFUHNVZGHNEYRG-GKRKWVKGSA-N,"InChI=1S/C26H36O12/c1-34-18-11-15(6-7-16(18)29)22(30)20(12-27)37-17-8-5-14(10-19(17)35-2)4-3-9-36-26-25(33)24(32)23(31)21(13-28)38-26/h5-8,10-11,20-33H,3-4,9,12-13H2,1-2H3/t20-,21-,22+,23-,24+,25-,26-/m1/s1",COc1cc([C@H](O)[C@@H](CO)Oc2ccc(CCCO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2OC)ccc1O,C26H36O12,pos_1_1proton2acetonitrile,540.2206765919998,NFUHNVZGHNEYRG,Shikimates and Phenylpropanoids,Lignans,Neolignans,Salacia chinensis,380833.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Salacia'],['Salacia chinensis'],6,0,6.0 168606,7333,242,Fatty acids,Sesquiterpenoids,Furans,0.0,MS1_match,YVBAUDVGOFCUSG-UHFFFAOYSA-N,"InChI=1S/C9H14O/c1-2-3-4-6-9-7-5-8-10-9/h5,7-8H,2-4,6H2,1H3",CCCCCc1ccco1,C9H14O,pos_2MH,138.104465068,YVBAUDVGOFCUSG,Polyketides,Cyclic polyketides,Furans,Patrinia villosa,971855.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia villosa'],6,3,7.5 168478,7328,-1,,,,0.74123,ISDB,LUZSWWYKKLTDHU-UHFFFAOYSA-N,"InChI=1S/C18H30O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)",CCCCCC=CC=CC(=O)CCCCCCCC(=O)O,C18H30O3,,294.21949482,LUZSWWYKKLTDHU,,,,Artemisia argyi,915618.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia argyi'],4,0,6.9649200439453125 168479,7328,-1,,,,0.74123,ISDB,LUZSWWYKKLTDHU-UHFFFAOYSA-N,"InChI=1S/C18H30O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)",CCCCCC=CC=CC(=O)CCCCCCCC(=O)O,C18H30O3,,294.21949482,LUZSWWYKKLTDHU,,,,Glycine max,681762.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Glycine max'],4,0,6.9649200439453125 168480,7328,-1,,,,0.74123,ISDB,LUZSWWYKKLTDHU-UHFFFAOYSA-N,"InChI=1S/C18H30O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)",CCCCCC=CC=CC(=O)CCCCCCCC(=O)O,C18H30O3,,294.21949482,LUZSWWYKKLTDHU,,,,Galeopsis bifida,391749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Galeopsis'],['Galeopsis bifida'],4,0,6.9649200439453125 168481,7328,-1,,,,0.74123,ISDB,LUZSWWYKKLTDHU-UHFFFAOYSA-N,"InChI=1S/C18H30O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)",CCCCCC=CC=CC(=O)CCCCCCCC(=O)O,C18H30O3,,294.21949482,LUZSWWYKKLTDHU,,,,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],4,0,6.9649200439453125 168472,7326,285,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.22672935,ISDB,ABJXQXSTZIZQEY-MKSAJWOVSA-N,"InChI=1S/C34H50O7/c1-19(11-10-12-20(2)30(38)39)23-15-18-33(8)24-13-14-25-31(5,6)26(37)16-17-32(25,7)27(24)28(40-21(3)35)29(34(23,33)9)41-22(4)36/h12,19,23,25,28-29H,10-11,13-18H2,1-9H3,(H,38,39)/b20-12+/t19-,23-,25+,28-,29-,32+,33+,34+/m1/s1",CC(=O)O[C@@H]1C2=C(CC[C@H]3C(C)(C)C(=O)CC[C@]23C)[C@]2(C)CC[C@H]([C@H](C)CC/C=C(\C)C(=O)O)[C@@]2(C)[C@@H]1OC(C)=O,C34H50O7,,570.3556539399999,ABJXQXSTZIZQEY,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Pappia fissilis,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,3,2.40691739320755 168160,7325,699,Terpenoids,Triterpenoids,Fernane and Arborinane triterpenoids,0.0,MS1_match,GUZAIURHRDPBKE-HIEJAJBWSA-N,"InChI=1S/C30H46O3/c1-17(2)18-9-12-22-29(18,7)25(33)16-28(6)19-10-11-21-26(3,4)23(31)13-14-27(21,5)20(19)15-24(32)30(22,28)8/h10,15,17-18,21-23,25,31,33H,9,11-14,16H2,1-8H3/t18-,21+,22-,23-,25-,27-,28-,29-,30-/m1/s1",CC(C)[C@H]1CC[C@@H]2[C@]1(C)[C@H](O)C[C@]1(C)C3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)C3=CC(=O)[C@@]21C,C30H46O3,pos_1_1proton,454.344695332,GUZAIURHRDPBKE,Terpenoids,Triterpenoids,Fernane and Arborinane triterpenoids,Lonicera gracilipes,920854.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera gracilipes'],7,3,8.5 168152,7323,119,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,OYHQOLUKZRVURQ-AVQMFFATSA-N,"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6+,10-9+",CCCCC/C=C/C/C=C/CCCCCCCC(=O)O,C18H32O2,pos_1_1proton1acetonitrile,280.240230264,OYHQOLUKZRVURQ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Celastrus hypoleucus,1019456.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Celastrus'],['Celastrus hypoleucus'],6,3,7.5 168153,7323,119,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,OYHQOLUKZRVURQ-HZJYTTRNSA-N,"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCCCC(=O)O,C18H32O2,pos_1_1proton1acetonitrile,280.240230264,OYHQOLUKZRVURQ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Celastrus paniculatus,561287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Celastrus'],['Celastrus paniculatus'],6,3,7.5 168154,7323,119,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,ADHNUPOJJCKWRT-JLXBFWJWSA-N,"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h14-17H,2-13H2,1H3,(H,19,20)/b15-14+,17-16+",CCCCCCCCCCCCC/C=C/C=C/C(=O)O,C18H32O2,pos_1_1proton1acetonitrile,280.240230264,ADHNUPOJJCKWRT,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Celastrus hypoleucus,1019456.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Celastrus'],['Celastrus hypoleucus'],6,3,7.5 168149,7322,-1,,,,0.0,MS1_match,GZXHWPFETLWFJR-GAFPIEJNSA-N,"InChI=1S/C34H42O11/c1-8-18(2)29(37)42-23-16-19(3)34-26(36)24(32(5,6)45-34)25(43-31(39)22-14-15-40-17-22)28(33(34,7)27(23)41-20(4)35)44-30(38)21-12-10-9-11-13-21/h9-15,17-19,23-28,36H,8,16H2,1-7H3/t18-,19-,23+,24-,25-,26-,27+,28+,33+,34-/m1/s1",CC[C@@H](C)C(=O)O[C@H]1C[C@@H](C)[C@]23OC(C)(C)[C@H]([C@@H](OC(=O)c4ccoc4)[C@H](OC(=O)c4ccccc4)[C@]2(C)[C@H]1OC(C)=O)[C@H]3O,C34H42O11,pos_2_2sodium,626.2727121639999,GZXHWPFETLWFJR,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Celastrus rosthornianus,458804.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Celastrus'],['Celastrus rosthornianus'],6,0,6.0 168142,7317,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.30448624,ISDB,DLHGNEVRISSXIV-UHFFFAOYSA-N,"InChI=1S/C10H8O3/c1-6-5-9(12)7-3-2-4-8(11)10(7)13-6/h2-5,11H,1H3",Cc1cc(=O)c2cccc(O)c2o1,C10H8O3,,176.047344116,DLHGNEVRISSXIV,Polyketides,Chromanes,Chromones,Halenia elliptica,862722.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Gentianaceae'],['Gentianeae'],['Halenia'],['Halenia elliptica'],4,0,5.217944979667664 168139,7316,-1,,,,0.0,MS1_match,DMKFLQFRXXCTNK-UHFFFAOYSA-N,"InChI=1S/C41H70O15/c1-18(32(31(50)33(51)37(4,5)52)56-35-30(49)28(47)27(46)21(15-42)54-35)25-19(43)14-39(7)23-9-8-22-36(2,3)24(55-34-29(48)26(45)20(44)16-53-34)10-11-40(22)17-41(23,40)13-12-38(25,39)6/h18-35,42-52H,8-17H2,1-7H3",CC(C(OC1OC(CO)C(O)C(O)C1O)C(O)C(O)C(C)(C)O)C1C(O)CC2(C)C3CCC4C(C)(C)C(OC5OCC(O)C(O)C5O)CCC45CC35CCC12C,C41H70O15,pos_2_1proton1potassium,802.47147154,DMKFLQFRXXCTNK,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Actaea elata,988729.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea elata'],6,0,6.0 168140,7316,-1,,,,0.0,MS1_match,DMKFLQFRXXCTNK-UHFFFAOYSA-N,"InChI=1S/C41H70O15/c1-18(32(31(50)33(51)37(4,5)52)56-35-30(49)28(47)27(46)21(15-42)54-35)25-19(43)14-39(7)23-9-8-22-36(2,3)24(55-34-29(48)26(45)20(44)16-53-34)10-11-40(22)17-41(23,40)13-12-38(25,39)6/h18-35,42-52H,8-17H2,1-7H3",CC(C(OC1OC(CO)C(O)C(O)C1O)C(O)C(O)C(C)(C)O)C1C(O)CC2(C)C3CCC4C(C)(C)C(OC5OCC(O)C(O)C5O)CCC45CC35CCC12C,C41H70O15,pos_2_1proton1potassium,802.47147154,DMKFLQFRXXCTNK,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Actaea cimicifuga,988720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea cimicifuga'],6,0,6.0 167996,7314,544,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.24176458,ISDB,CDICDSOGTRCHMG-UHFFFAOYSA-N,"InChI=1S/C11H12O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-7,13H,1-2H3",COc1cc(C=CC=O)cc(OC)c1O,C11H12O4,,208.073558864,CDICDSOGTRCHMG,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Platycarya strobilacea,264610.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Juglandaceae'],['Unknown'],['Platycarya'],['Platycarya strobilacea'],4,3,6.467058300971985 167997,7314,544,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.24176458,ISDB,CDICDSOGTRCHMG-UHFFFAOYSA-N,"InChI=1S/C11H12O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-7,13H,1-2H3",COc1cc(C=CC=O)cc(OC)c1O,C11H12O4,,208.073558864,CDICDSOGTRCHMG,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Machilus zuihoensis,36198.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Machilus'],['Machilus zuihoensis'],4,3,6.467058300971985 167998,7314,544,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.24176458,ISDB,CDICDSOGTRCHMG-ONEGZZNKSA-N,"InChI=1S/C11H12O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-7,13H,1-2H3/b4-3+",COc1cc(/C=C/C=O)cc(OC)c1O,C11H12O4,,208.073558864,CDICDSOGTRCHMG,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Quercus petraea,516540.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Fagaceae'],['Unknown'],['Quercus'],['Quercus petraea'],4,3,6.467058300971985 167999,7314,544,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.24176458,ISDB,CDICDSOGTRCHMG-ONEGZZNKSA-N,"InChI=1S/C11H12O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-7,13H,1-2H3/b4-3+",COc1cc(/C=C/C=O)cc(OC)c1O,C11H12O4,,208.073558864,CDICDSOGTRCHMG,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Quercus faginea,381049.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Fagaceae'],['Unknown'],['Quercus'],['Quercus faginea'],4,3,6.467058300971985 168000,7314,544,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.24176458,ISDB,CDICDSOGTRCHMG-UHFFFAOYSA-N,"InChI=1S/C11H12O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-7,13H,1-2H3",COc1cc(C=CC=O)cc(OC)c1O,C11H12O4,,208.073558864,CDICDSOGTRCHMG,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Talipariti tiliaceum,120948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Talipariti'],['Talipariti tiliaceum'],4,3,6.467058300971985 168001,7314,544,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.24176458,ISDB,CDICDSOGTRCHMG-ONEGZZNKSA-N,"InChI=1S/C11H12O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-7,13H,1-2H3/b4-3+",COc1cc(/C=C/C=O)cc(OC)c1O,C11H12O4,,208.073558864,CDICDSOGTRCHMG,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Quercus robur,239659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Fagaceae'],['Unknown'],['Quercus'],['Quercus robur'],4,3,6.467058300971985 168002,7314,544,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.24176458,ISDB,CDICDSOGTRCHMG-UHFFFAOYSA-N,"InChI=1S/C11H12O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-7,13H,1-2H3",COc1cc(C=CC=O)cc(OC)c1O,C11H12O4,,208.073558864,CDICDSOGTRCHMG,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Populus euphratica,164191.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Salicaceae'],['Saliceae'],['Populus'],['Populus euphratica'],4,3,6.467058300971985 168003,7314,544,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.24176458,ISDB,CDICDSOGTRCHMG-ONEGZZNKSA-N,"InChI=1S/C11H12O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-7,13H,1-2H3/b4-3+",COc1cc(/C=C/C=O)cc(OC)c1O,C11H12O4,,208.073558864,CDICDSOGTRCHMG,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Quercus suber,272709.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Fagaceae'],['Unknown'],['Quercus'],['Quercus suber'],4,3,6.467058300971985 168004,7314,544,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.24176458,ISDB,CDICDSOGTRCHMG-ONEGZZNKSA-N,"InChI=1S/C11H12O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-7,13H,1-2H3/b4-3+",COc1cc(/C=C/C=O)cc(OC)c1O,C11H12O4,,208.073558864,CDICDSOGTRCHMG,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Hibiscus taiwanensis,6117615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Hibiscus'],['Hibiscus taiwanensis'],4,3,6.467058300971985 168005,7314,544,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.24176458,ISDB,CDICDSOGTRCHMG-UHFFFAOYSA-N,"InChI=1S/C11H12O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-7,13H,1-2H3",COc1cc(C=CC=O)cc(OC)c1O,C11H12O4,,208.073558864,CDICDSOGTRCHMG,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Aeschynanthus bracteatus,154188.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Gesneriaceae'],['Trichosporeae'],['Aeschynanthus'],['Aeschynanthus bracteatus'],4,3,6.467058300971985 168006,7314,544,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.24176458,ISDB,CDICDSOGTRCHMG-UHFFFAOYSA-N,"InChI=1S/C11H12O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-7,13H,1-2H3",COc1cc(C=CC=O)cc(OC)c1O,C11H12O4,,208.073558864,CDICDSOGTRCHMG,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Zanthoxylum ailanthoides,806818.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum ailanthoides'],4,3,6.467058300971985 168007,7314,544,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.24176458,ISDB,CDICDSOGTRCHMG-UHFFFAOYSA-N,"InChI=1S/C11H12O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-7,13H,1-2H3",COc1cc(C=CC=O)cc(OC)c1O,C11H12O4,,208.073558864,CDICDSOGTRCHMG,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Duhaldea cappa,182175.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Duhaldea'],['Duhaldea cappa'],4,3,6.467058300971985 168008,7314,544,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.24176458,ISDB,CDICDSOGTRCHMG-UHFFFAOYSA-N,"InChI=1S/C11H12O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-7,13H,1-2H3",COc1cc(C=CC=O)cc(OC)c1O,C11H12O4,,208.073558864,CDICDSOGTRCHMG,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Phyllostachys edulis,256629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Arundinarieae'],['Phyllostachys'],['Phyllostachys edulis'],4,3,6.467058300971985 168009,7314,544,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.24176458,ISDB,CDICDSOGTRCHMG-ONEGZZNKSA-N,"InChI=1S/C11H12O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-7,13H,1-2H3/b4-3+",COc1cc(/C=C/C=O)cc(OC)c1O,C11H12O4,,208.073558864,CDICDSOGTRCHMG,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Quercus pyrenaica,716878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Fagaceae'],['Unknown'],['Quercus'],['Quercus pyrenaica'],4,3,6.467058300971985 168010,7314,544,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.24176458,ISDB,CDICDSOGTRCHMG-UHFFFAOYSA-N,"InChI=1S/C11H12O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-7,13H,1-2H3",COc1cc(C=CC=O)cc(OC)c1O,C11H12O4,,208.073558864,CDICDSOGTRCHMG,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cirsium helenioides,111716.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cirsium'],['Cirsium helenioides'],4,3,6.467058300971985 168011,7314,544,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.24176458,ISDB,CDICDSOGTRCHMG-UHFFFAOYSA-N,"InChI=1S/C11H12O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-7,13H,1-2H3",COc1cc(C=CC=O)cc(OC)c1O,C11H12O4,,208.073558864,CDICDSOGTRCHMG,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Zanthoxylum simulans,889927.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum simulans'],4,3,6.467058300971985 168012,7314,544,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.24176458,ISDB,CDICDSOGTRCHMG-UHFFFAOYSA-N,"InChI=1S/C11H12O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-7,13H,1-2H3",COc1cc(C=CC=O)cc(OC)c1O,C11H12O4,,208.073558864,CDICDSOGTRCHMG,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Magnolia officinalis,256695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia officinalis'],4,3,6.467058300971985 168013,7314,544,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.24176458,ISDB,CDICDSOGTRCHMG-UHFFFAOYSA-N,"InChI=1S/C11H12O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-7,13H,1-2H3",COc1cc(C=CC=O)cc(OC)c1O,C11H12O4,,208.073558864,CDICDSOGTRCHMG,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Codonopsis cordifolioidea,3893808.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Campanulaceae'],['Unknown'],['Codonopsis'],['Codonopsis cordifolioidea'],4,3,6.467058300971985 168014,7314,544,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.24176458,ISDB,CDICDSOGTRCHMG-UHFFFAOYSA-N,"InChI=1S/C11H12O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-7,13H,1-2H3",COc1cc(C=CC=O)cc(OC)c1O,C11H12O4,,208.073558864,CDICDSOGTRCHMG,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Ilex rotunda,1015268.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Aquifoliales'],['Aquifoliaceae'],['Unknown'],['Ilex'],['Ilex rotunda'],4,3,6.467058300971985 168015,7314,544,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.24176458,ISDB,CDICDSOGTRCHMG-UHFFFAOYSA-N,"InChI=1S/C11H12O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-7,13H,1-2H3",COc1cc(C=CC=O)cc(OC)c1O,C11H12O4,,208.073558864,CDICDSOGTRCHMG,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Mikania microptera,7604049.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Mikania'],['Mikania microptera'],4,3,6.467058300971985 168016,7314,544,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.24176458,ISDB,CDICDSOGTRCHMG-ONEGZZNKSA-N,"InChI=1S/C11H12O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-7,13H,1-2H3/b4-3+",COc1cc(/C=C/C=O)cc(OC)c1O,C11H12O4,,208.073558864,CDICDSOGTRCHMG,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Senra incana,6118678.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Senra'],['Senra incana'],4,3,6.467058300971985 168017,7314,544,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.24176458,ISDB,CDICDSOGTRCHMG-ONEGZZNKSA-N,"InChI=1S/C11H12O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-7,13H,1-2H3/b4-3+",COc1cc(/C=C/C=O)cc(OC)c1O,C11H12O4,,208.073558864,CDICDSOGTRCHMG,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Senna,404633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Senna'],['Unknown'],4,3,6.467058300971985 168018,7314,544,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.24176458,ISDB,CDICDSOGTRCHMG-UHFFFAOYSA-N,"InChI=1S/C11H12O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-7,13H,1-2H3",COc1cc(C=CC=O)cc(OC)c1O,C11H12O4,,208.073558864,CDICDSOGTRCHMG,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Hibiscus cannabinus,393745.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Hibiscus'],['Hibiscus cannabinus'],4,3,6.467058300971985 168019,7314,544,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.24176458,ISDB,CDICDSOGTRCHMG-ONEGZZNKSA-N,"InChI=1S/C11H12O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-7,13H,1-2H3/b4-3+",COc1cc(/C=C/C=O)cc(OC)c1O,C11H12O4,,208.073558864,CDICDSOGTRCHMG,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Saussurea macrota,733905.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Himalaiella'],['Himalaiella auriculata'],4,3,6.467058300971985 168020,7314,544,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.24176458,ISDB,CDICDSOGTRCHMG-ONEGZZNKSA-N,"InChI=1S/C11H12O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-7,13H,1-2H3/b4-3+",COc1cc(/C=C/C=O)cc(OC)c1O,C11H12O4,,208.073558864,CDICDSOGTRCHMG,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Aralia bipinnata,553970.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Aralia'],['Aralia bipinnata'],4,3,6.467058300971985 168021,7314,544,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.24176458,ISDB,CDICDSOGTRCHMG-ONEGZZNKSA-N,"InChI=1S/C11H12O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-7,13H,1-2H3/b4-3+",COc1cc(/C=C/C=O)cc(OC)c1O,C11H12O4,,208.073558864,CDICDSOGTRCHMG,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Semiarundinaria fastuosa,502615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Arundinarieae'],['Semiarundinaria'],['Semiarundinaria fastuosa'],4,3,6.467058300971985 168022,7314,544,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.24176458,ISDB,CDICDSOGTRCHMG-UHFFFAOYSA-N,"InChI=1S/C11H12O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-7,13H,1-2H3",COc1cc(C=CC=O)cc(OC)c1O,C11H12O4,,208.073558864,CDICDSOGTRCHMG,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Stereospermum tetragonum,5265170.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Bignoniaceae'],['Unknown'],['Stereospermum'],['Stereospermum tetragonum'],4,3,6.467058300971985 168023,7314,544,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.24176458,ISDB,CDICDSOGTRCHMG-UHFFFAOYSA-N,"InChI=1S/C11H12O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-7,13H,1-2H3",COc1cc(C=CC=O)cc(OC)c1O,C11H12O4,,208.073558864,CDICDSOGTRCHMG,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Stereospermum colais,313512.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Bignoniaceae'],['Unknown'],['Stereospermum'],['Stereospermum colais'],4,3,6.467058300971985 168024,7314,544,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.24176458,ISDB,CDICDSOGTRCHMG-UHFFFAOYSA-N,"InChI=1S/C11H12O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-7,13H,1-2H3",COc1cc(C=CC=O)cc(OC)c1O,C11H12O4,,208.073558864,CDICDSOGTRCHMG,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Drypetes littoralis,281151.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Putranjivaceae'],['Unknown'],['Drypetes'],['Drypetes littoralis'],4,3,6.467058300971985 168025,7314,544,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.24176458,ISDB,CDICDSOGTRCHMG-UHFFFAOYSA-N,"InChI=1S/C11H12O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-7,13H,1-2H3",COc1cc(C=CC=O)cc(OC)c1O,C11H12O4,,208.073558864,CDICDSOGTRCHMG,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Tarenna attenuata,3878828.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Pavetteae'],['Tarenna'],['Tarenna attenuata'],4,3,6.467058300971985 168026,7314,544,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.24176458,ISDB,CDICDSOGTRCHMG-ONEGZZNKSA-N,"InChI=1S/C11H12O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-7,13H,1-2H3/b4-3+",COc1cc(/C=C/C=O)cc(OC)c1O,C11H12O4,,208.073558864,CDICDSOGTRCHMG,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cunila,1097484.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Cunila'],['Unknown'],4,3,6.467058300971985 168027,7314,544,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.24176458,ISDB,CDICDSOGTRCHMG-UHFFFAOYSA-N,"InChI=1S/C11H12O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-7,13H,1-2H3",COc1cc(C=CC=O)cc(OC)c1O,C11H12O4,,208.073558864,CDICDSOGTRCHMG,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Daphne feddei,5747011.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Thymelaeaceae'],['Unknown'],['Daphne'],['Daphne feddei'],4,3,6.467058300971985 168028,7314,544,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.24176458,ISDB,CDICDSOGTRCHMG-UHFFFAOYSA-N,"InChI=1S/C11H12O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-7,13H,1-2H3",COc1cc(C=CC=O)cc(OC)c1O,C11H12O4,,208.073558864,CDICDSOGTRCHMG,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Wikstroemia canescens,444200.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Thymelaeaceae'],['Unknown'],['Wikstroemia'],['Wikstroemia canescens'],4,3,6.467058300971985 167959,7312,-1,,,,0.0,MS1_match,KMOUJOKENFFTPU-UHFFFAOYSA-N,"InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2",O=c1cc(-c2ccc(O)cc2)oc2cc(OC3OC(CO)C(O)C(O)C3O)cc(O)c12,C21H20O10,pos_2MH,432.1056468399998,KMOUJOKENFFTPU,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 167960,7312,-1,,,,0.0,MS1_match,KMOUJOKENFFTPU-QNDFHXLGSA-N,"InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O10,pos_2MH,432.1056468399998,KMOUJOKENFFTPU,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Lonicera gracilipes,920854.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera gracilipes'],7,0,7.0 167961,7312,-1,,,,0.0,MS1_match,KMOUJOKENFFTPU-QNDFHXLGSA-N,"InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O10,pos_2MH,432.1056468399998,KMOUJOKENFFTPU,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Lonicera gracilipes,920854.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera gracilipes'],7,0,7.0 167962,7312,-1,,,,0.0,MS1_match,KMOUJOKENFFTPU-UHFFFAOYSA-N,"InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2",O=c1cc(-c2ccc(O)cc2)oc2cc(OC3OC(CO)C(O)C(O)C3O)cc(O)c12,C21H20O10,pos_2MH,432.1056468399998,KMOUJOKENFFTPU,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 167963,7312,-1,,,,0.0,MS1_match,KMOUJOKENFFTPU-UHFFFAOYSA-N,"InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2",O=c1cc(-c2ccc(O)cc2)oc2cc(OC3OC(CO)C(O)C(O)C3O)cc(O)c12,C21H20O10,pos_2MH,432.1056468399998,KMOUJOKENFFTPU,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 167964,7312,-1,,,,0.0,MS1_match,KMOUJOKENFFTPU-QNDFHXLGSA-N,"InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O10,pos_2MH,432.1056468399998,KMOUJOKENFFTPU,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Lonicera gracilipes,920854.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera gracilipes'],7,0,7.0 167945,7310,-1,,,,0.7919796,ISDB,CNNSEHUKQJCGTE-UPPWDXJYSA-N,"InChI=1S/C42H78NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h14,16,20-21,25,27,40H,6-13,15,17-19,22-24,26,28-39H2,1-5H3/b16-14-,21-20-,27-25-/t40-/m1/s1",CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C,C42H78NO8P,,755.546505086,CNNSEHUKQJCGTE,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Trypanosoma brucei,494245.0,['Eukaryota'],['Unknown'],['Unknown'],['Unknown'],['Kinetoplastea'],['Unknown'],['Unknown'],['Trypanosoma'],['Trypanosoma brucei'],1,0,4.16791844367981 167939,7309,-1,,,,0.256513,ISDB,GLNRAZLQBMAROT-LURJTMIESA-N,"InChI=1S/C10H11NO3/c1-6-9(5-12)7-2-3-14-10(13)8(7)4-11-6/h4-6,11H,2-3H2,1H3/t6-/m0/s1",C[C@@H]1NC=C2C(=O)OCCC2=C1C=O,C10H11NO3,,193.073893212,GLNRAZLQBMAROT,,,,Swertia marginata,909863.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Gentianaceae'],['Gentianeae'],['Swertia'],['Swertia marginata'],4,0,5.026051998138428 167857,7308,-1,,,,0.31903797,ISDB,QUBNLZCADIYAFW-XAMQMYJNSA-N,"InChI=1S/C35H56O8/c1-30(2)13-15-35(29(40)41)16-14-33(5)20(21(35)17-30)7-8-24-31(3)11-10-25(43-28-27(39)26(38)22(37)18-42-28)32(4,19-36)23(31)9-12-34(24,33)6/h7,21-28,36-39H,8-19H2,1-6H3,(H,40,41)/t21-,22+,23+,24+,25-,26+,27-,28-,31-,32-,33+,34+,35-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@@H](O)[C@@H](O)[C@@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C35H56O8,,604.397518752,QUBNLZCADIYAFW,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lonicera nigra,179065.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera nigra'],8,0,9.276151895523071 167850,7307,641,Alkaloids,Tryptophan alkaloids,3-Spirotetramic acids,0.3409352,ISDB,RMVYYJRTYQWDRK-UHFFFAOYSA-N,"InChI=1S/C11H15NO4/c1-16-8-10-5-4-9(7-13)12(10)6-2-3-11(14)15/h4-5,7H,2-3,6,8H2,1H3,(H,14,15)",COCc1ccc(C=O)n1CCCC(=O)O,C11H15NO4,,225.10010796,RMVYYJRTYQWDRK,Alkaloids,Proline alkaloids,Pyrrole alkaloids,Houttuynia cordata,972211.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Saururaceae'],['Unknown'],['Houttuynia'],['Houttuynia cordata'],4,1,5.863740801811218 167851,7307,641,Alkaloids,Tryptophan alkaloids,3-Spirotetramic acids,0.3409352,ISDB,RMVYYJRTYQWDRK-UHFFFAOYSA-N,"InChI=1S/C11H15NO4/c1-16-8-10-5-4-9(7-13)12(10)6-2-3-11(14)15/h4-5,7H,2-3,6,8H2,1H3,(H,14,15)",COCc1ccc(C=O)n1CCCC(=O)O,C11H15NO4,,225.10010796,RMVYYJRTYQWDRK,Alkaloids,Proline alkaloids,Pyrrole alkaloids,Lycium chinense,58730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium chinense'],4,1,5.863740801811218 167852,7307,641,Alkaloids,Tryptophan alkaloids,3-Spirotetramic acids,0.3409352,ISDB,RMVYYJRTYQWDRK-UHFFFAOYSA-N,"InChI=1S/C11H15NO4/c1-16-8-10-5-4-9(7-13)12(10)6-2-3-11(14)15/h4-5,7H,2-3,6,8H2,1H3,(H,14,15)",COCc1ccc(C=O)n1CCCC(=O)O,C11H15NO4,,225.10010796,RMVYYJRTYQWDRK,Alkaloids,Proline alkaloids,Pyrrole alkaloids,Morus alba,658488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Morus'],['Morus alba'],4,1,5.863740801811218 167817,7306,7,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.25754794,ISDB,JVHYYZMBYJJGJM-ZMDGZUOKSA-N,"InChI=1S/C40H54O4/c1-29(17-13-19-31(3)21-22-35(42)38(9)26-33(41)25-36(38,5)6)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)27-34(44-40)28-39(40,10)43/h11-24,34,43H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,38-,39+,40+/m0/s1",CC(/C=C/C=C(C)/C=C/C(=O)[C@]1(C)CC(=O)CC1(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]12O[C@@H](CC1(C)C)C[C@@]2(C)O,C40H54O4,,598.402210208,JVHYYZMBYJJGJM,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],4,2,6.030191779136658 167792,7304,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QAIPRVGONGVQAS-DUXPYHPUSA-N,"InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+",O=C(O)/C=C/c1ccc(O)c(O)c1,C9H8O4,pos_1_1proton,180.042258736,QAIPRVGONGVQAS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis vitalba,756499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis vitalba'],8,3,9.5 167794,7304,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QAIPRVGONGVQAS-UHFFFAOYSA-N,"InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)",O=C(O)C=Cc1ccc(O)c(O)c1,C9H8O4,pos_1_1proton,180.042258736,QAIPRVGONGVQAS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis delavayi,72769.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis delavayi'],8,3,9.5 167791,7303,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,CDVGDLGBEAICDA-UHFFFAOYSA-N,"InChI=1S/C23H34O15/c1-3-8-9(4-13-33-7-12-19(37-13)16(27)17(28)21(31)35-12)10(20(30)32-2)6-34-22(8)38-23-18(29)15(26)14(25)11(5-24)36-23/h3,6,8-9,11-19,21-29,31H,1,4-5,7H2,2H3",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC1OCC2OC(O)C(O)C(O)C2O1,C23H34O15,pos_1_1proton1ammonium,550.189770388,CDVGDLGBEAICDA,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],7,2,8.0 167772,7302,-1,,,,0.0,MS1_match,YPZQHCLBLRWNMJ-OPRDCNLKSA-N,"InChI=1S/C10H16O2/c1-4-10(3)6-5-9(12-10)8(2)7-11/h4,7-9H,1,5-6H2,2-3H3/t8-,9-,10-/m1/s1",C=C[C@]1(C)CC[C@H]([C@H](C)C=O)O1,C10H16O2,pos_2MNa,168.115029752,YPZQHCLBLRWNMJ,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 167700,7301,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,BIWLELKAFXRPDE-UHFFFAOYSA-N,"InChI=1S/C40H60/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-16,19-22,25-30H,13-14,17-18,23-24,31-32H2,1-10H3",CC(C)=CCCC(C)=CCCC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)CCC=C(C)CCC=C(C)C,C40H60,pos_2_2proton,540.46950192,BIWLELKAFXRPDE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, Ψ-Ψ)",Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,1,7.5 167651,7298,145,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.34851038,ISDB,YLUOVOKBMSLYGX-UHFFFAOYSA-N,"InChI=1S/C20H21NO6/c1-23-15-7-10-5-6-21-17-11-3-4-14-19(26-9-25-14)16(11)20(24-2)27-18(17)12(10)8-13(15)22/h3-4,7-8,17-18,20-22H,5-6,9H2,1-2H3",COc1cc2c(cc1O)C1OC(OC)c3c(ccc4c3OCO4)C1NCC2,C20H21NO6,,371.136887392,YLUOVOKBMSLYGX,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver pilosum,84032.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver pilosum'],4,3,6.894041538238525 167652,7298,145,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.34851038,ISDB,YLUOVOKBMSLYGX-UHFFFAOYSA-N,"InChI=1S/C20H21NO6/c1-23-15-7-10-5-6-21-17-11-3-4-14-19(26-9-25-14)16(11)20(24-2)27-18(17)12(10)8-13(15)22/h3-4,7-8,17-18,20-22H,5-6,9H2,1-2H3",COc1cc2c(cc1O)C1OC(OC)c3c(ccc4c3OCO4)C1NCC2,C20H21NO6,,371.136887392,YLUOVOKBMSLYGX,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver macrostomum,84036.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver macrostomum'],4,3,6.894041538238525 167653,7298,145,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.34851038,ISDB,YLUOVOKBMSLYGX-UHFFFAOYSA-N,"InChI=1S/C20H21NO6/c1-23-15-7-10-5-6-21-17-11-3-4-14-19(26-9-25-14)16(11)20(24-2)27-18(17)12(10)8-13(15)22/h3-4,7-8,17-18,20-22H,5-6,9H2,1-2H3",COc1cc2c(cc1O)C1OC(OC)c3c(ccc4c3OCO4)C1NCC2,C20H21NO6,,371.136887392,YLUOVOKBMSLYGX,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver alpinum,740031.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver alpinum'],4,3,6.894041538238525 167654,7298,145,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.34851038,ISDB,YLUOVOKBMSLYGX-UHFFFAOYSA-N,"InChI=1S/C20H21NO6/c1-23-15-7-10-5-6-21-17-11-3-4-14-19(26-9-25-14)16(11)20(24-2)27-18(17)12(10)8-13(15)22/h3-4,7-8,17-18,20-22H,5-6,9H2,1-2H3",COc1cc2c(cc1O)C1OC(OC)c3c(ccc4c3OCO4)C1NCC2,C20H21NO6,,371.136887392,YLUOVOKBMSLYGX,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver croceum,784404.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver nudicaule'],4,3,6.894041538238525 167655,7298,145,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.34851038,ISDB,YLUOVOKBMSLYGX-UHFFFAOYSA-N,"InChI=1S/C20H21NO6/c1-23-15-7-10-5-6-21-17-11-3-4-14-19(26-9-25-14)16(11)20(24-2)27-18(17)12(10)8-13(15)22/h3-4,7-8,17-18,20-22H,5-6,9H2,1-2H3",COc1cc2c(cc1O)C1OC(OC)c3c(ccc4c3OCO4)C1NCC2,C20H21NO6,,371.136887392,YLUOVOKBMSLYGX,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver pinnatifidum,605785.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver dubium'],4,3,6.894041538238525 167656,7298,145,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.34851038,ISDB,YLUOVOKBMSLYGX-UHFFFAOYSA-N,"InChI=1S/C20H21NO6/c1-23-15-7-10-5-6-21-17-11-3-4-14-19(26-9-25-14)16(11)20(24-2)27-18(17)12(10)8-13(15)22/h3-4,7-8,17-18,20-22H,5-6,9H2,1-2H3",COc1cc2c(cc1O)C1OC(OC)c3c(ccc4c3OCO4)C1NCC2,C20H21NO6,,371.136887392,YLUOVOKBMSLYGX,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver californicum,760916.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver californicum'],4,3,6.894041538238525 167657,7298,145,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.34851038,ISDB,YLUOVOKBMSLYGX-UHFFFAOYSA-N,"InChI=1S/C20H21NO6/c1-23-15-7-10-5-6-21-17-11-3-4-14-19(26-9-25-14)16(11)20(24-2)27-18(17)12(10)8-13(15)22/h3-4,7-8,17-18,20-22H,5-6,9H2,1-2H3",COc1cc2c(cc1O)C1OC(OC)c3c(ccc4c3OCO4)C1NCC2,C20H21NO6,,371.136887392,YLUOVOKBMSLYGX,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver setigerum,237515.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver somniferum'],4,3,6.894041538238525 167658,7298,145,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.34851038,ISDB,YLUOVOKBMSLYGX-UHFFFAOYSA-N,"InChI=1S/C20H21NO6/c1-23-15-7-10-5-6-21-17-11-3-4-14-19(26-9-25-14)16(11)20(24-2)27-18(17)12(10)8-13(15)22/h3-4,7-8,17-18,20-22H,5-6,9H2,1-2H3",COc1cc2c(cc1O)C1OC(OC)c3c(ccc4c3OCO4)C1NCC2,C20H21NO6,,371.136887392,YLUOVOKBMSLYGX,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver rupifragum,84025.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver rupifragum'],4,3,6.894041538238525 167659,7298,145,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.34851038,ISDB,YLUOVOKBMSLYGX-UHFFFAOYSA-N,"InChI=1S/C20H21NO6/c1-23-15-7-10-5-6-21-17-11-3-4-14-19(26-9-25-14)16(11)20(24-2)27-18(17)12(10)8-13(15)22/h3-4,7-8,17-18,20-22H,5-6,9H2,1-2H3",COc1cc2c(cc1O)C1OC(OC)c3c(ccc4c3OCO4)C1NCC2,C20H21NO6,,371.136887392,YLUOVOKBMSLYGX,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver pavoninum,84038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver pavoninum'],4,3,6.894041538238525 167660,7298,145,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.34851038,ISDB,YLUOVOKBMSLYGX-UHFFFAOYSA-N,"InChI=1S/C20H21NO6/c1-23-15-7-10-5-6-21-17-11-3-4-14-19(26-9-25-14)16(11)20(24-2)27-18(17)12(10)8-13(15)22/h3-4,7-8,17-18,20-22H,5-6,9H2,1-2H3",COc1cc2c(cc1O)C1OC(OC)c3c(ccc4c3OCO4)C1NCC2,C20H21NO6,,371.136887392,YLUOVOKBMSLYGX,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver decaisnei,6130804.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver decaisnei'],4,3,6.894041538238525 167661,7298,145,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.34851038,ISDB,YLUOVOKBMSLYGX-UHFFFAOYSA-N,"InChI=1S/C20H21NO6/c1-23-15-7-10-5-6-21-17-11-3-4-14-19(26-9-25-14)16(11)20(24-2)27-18(17)12(10)8-13(15)22/h3-4,7-8,17-18,20-22H,5-6,9H2,1-2H3",COc1cc2c(cc1O)C1OC(OC)c3c(ccc4c3OCO4)C1NCC2,C20H21NO6,,371.136887392,YLUOVOKBMSLYGX,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver oreophilum,6130838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver oreophilum'],4,3,6.894041538238525 167662,7298,145,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.34851038,ISDB,YLUOVOKBMSLYGX-UHFFFAOYSA-N,"InChI=1S/C20H21NO6/c1-23-15-7-10-5-6-21-17-11-3-4-14-19(26-9-25-14)16(11)20(24-2)27-18(17)12(10)8-13(15)22/h3-4,7-8,17-18,20-22H,5-6,9H2,1-2H3",COc1cc2c(cc1O)C1OC(OC)c3c(ccc4c3OCO4)C1NCC2,C20H21NO6,,371.136887392,YLUOVOKBMSLYGX,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver alboroseum,66138.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver alboroseum'],4,3,6.894041538238525 167663,7298,145,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.34851038,ISDB,YLUOVOKBMSLYGX-UHFFFAOYSA-N,"InChI=1S/C20H21NO6/c1-23-15-7-10-5-6-21-17-11-3-4-14-19(26-9-25-14)16(11)20(24-2)27-18(17)12(10)8-13(15)22/h3-4,7-8,17-18,20-22H,5-6,9H2,1-2H3",COc1cc2c(cc1O)C1OC(OC)c3c(ccc4c3OCO4)C1NCC2,C20H21NO6,,371.136887392,YLUOVOKBMSLYGX,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver canescens,5727871.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver canescens'],4,3,6.894041538238525 167664,7298,145,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.34851038,ISDB,YLUOVOKBMSLYGX-UHFFFAOYSA-N,"InChI=1S/C20H21NO6/c1-23-15-7-10-5-6-21-17-11-3-4-14-19(26-9-25-14)16(11)20(24-2)27-18(17)12(10)8-13(15)22/h3-4,7-8,17-18,20-22H,5-6,9H2,1-2H3",COc1cc2c(cc1O)C1OC(OC)c3c(ccc4c3OCO4)C1NCC2,C20H21NO6,,371.136887392,YLUOVOKBMSLYGX,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver pseudocanescens,5727871.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver canescens'],4,3,6.894041538238525 167665,7298,145,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.34851038,ISDB,YLUOVOKBMSLYGX-UHFFFAOYSA-N,"InChI=1S/C20H21NO6/c1-23-15-7-10-5-6-21-17-11-3-4-14-19(26-9-25-14)16(11)20(24-2)27-18(17)12(10)8-13(15)22/h3-4,7-8,17-18,20-22H,5-6,9H2,1-2H3",COc1cc2c(cc1O)C1OC(OC)c3c(ccc4c3OCO4)C1NCC2,C20H21NO6,,371.136887392,YLUOVOKBMSLYGX,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver commutatum,605768.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver commutatum'],4,3,6.894041538238525 167666,7298,145,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.34851038,ISDB,YLUOVOKBMSLYGX-UHFFFAOYSA-N,"InChI=1S/C20H21NO6/c1-23-15-7-10-5-6-21-17-11-3-4-14-19(26-9-25-14)16(11)20(24-2)27-18(17)12(10)8-13(15)22/h3-4,7-8,17-18,20-22H,5-6,9H2,1-2H3",COc1cc2c(cc1O)C1OC(OC)c3c(ccc4c3OCO4)C1NCC2,C20H21NO6,,371.136887392,YLUOVOKBMSLYGX,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver dubium,605785.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver dubium'],4,3,6.894041538238525 167667,7298,145,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.34851038,ISDB,YLUOVOKBMSLYGX-WSTZPKSXSA-N,"InChI=1S/C20H21NO6/c1-23-15-7-10-5-6-21-17-11-3-4-14-19(26-9-25-14)16(11)20(24-2)27-18(17)12(10)8-13(15)22/h3-4,7-8,17-18,20-22H,5-6,9H2,1-2H3/t17-,18+,20-/m1/s1",COc1cc2c(cc1O)[C@@H]1O[C@@H](OC)c3c(ccc4c3OCO4)[C@H]1NCC2,C20H21NO6,,371.1368873919999,YLUOVOKBMSLYGX,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver fugax,6130809.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver fugax'],4,3,6.894041538238525 167668,7298,145,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.34851038,ISDB,YLUOVOKBMSLYGX-WSTZPKSXSA-N,"InChI=1S/C20H21NO6/c1-23-15-7-10-5-6-21-17-11-3-4-14-19(26-9-25-14)16(11)20(24-2)27-18(17)12(10)8-13(15)22/h3-4,7-8,17-18,20-22H,5-6,9H2,1-2H3/t17-,18+,20-/m1/s1",COc1cc2c(cc1O)[C@@H]1O[C@@H](OC)c3c(ccc4c3OCO4)[C@H]1NCC2,C20H21NO6,,371.1368873919999,YLUOVOKBMSLYGX,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver armeniacum,605764.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver armeniacum'],4,3,6.894041538238525 167669,7298,145,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.34851038,ISDB,YLUOVOKBMSLYGX-UHFFFAOYSA-N,"InChI=1S/C20H21NO6/c1-23-15-7-10-5-6-21-17-11-3-4-14-19(26-9-25-14)16(11)20(24-2)27-18(17)12(10)8-13(15)22/h3-4,7-8,17-18,20-22H,5-6,9H2,1-2H3",COc1cc2c(cc1O)C1OC(OC)c3c(ccc4c3OCO4)C1NCC2,C20H21NO6,,371.136887392,YLUOVOKBMSLYGX,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver persicum,5727884.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver persicum'],4,3,6.894041538238525 167670,7298,145,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.34851038,ISDB,YLUOVOKBMSLYGX-UHFFFAOYSA-N,"InChI=1S/C20H21NO6/c1-23-15-7-10-5-6-21-17-11-3-4-14-19(26-9-25-14)16(11)20(24-2)27-18(17)12(10)8-13(15)22/h3-4,7-8,17-18,20-22H,5-6,9H2,1-2H3",COc1cc2c(cc1O)C1OC(OC)c3c(ccc4c3OCO4)C1NCC2,C20H21NO6,,371.136887392,YLUOVOKBMSLYGX,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver lateritium,398982.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver lateritium'],4,3,6.894041538238525 167671,7298,145,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.34851038,ISDB,YLUOVOKBMSLYGX-UHFFFAOYSA-N,"InChI=1S/C20H21NO6/c1-23-15-7-10-5-6-21-17-11-3-4-14-19(26-9-25-14)16(11)20(24-2)27-18(17)12(10)8-13(15)22/h3-4,7-8,17-18,20-22H,5-6,9H2,1-2H3",COc1cc2c(cc1O)C1OC(OC)c3c(ccc4c3OCO4)C1NCC2,C20H21NO6,,371.136887392,YLUOVOKBMSLYGX,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver lecoqii,6130826.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver lecoqii'],4,3,6.894041538238525 167672,7298,145,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.34851038,ISDB,YLUOVOKBMSLYGX-UHFFFAOYSA-N,"InChI=1S/C20H21NO6/c1-23-15-7-10-5-6-21-17-11-3-4-14-19(26-9-25-14)16(11)20(24-2)27-18(17)12(10)8-13(15)22/h3-4,7-8,17-18,20-22H,5-6,9H2,1-2H3",COc1cc2c(cc1O)C1OC(OC)c3c(ccc4c3OCO4)C1NCC2,C20H21NO6,,371.136887392,YLUOVOKBMSLYGX,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver laevigatum,7591122.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver laevigatum'],4,3,6.894041538238525 167673,7298,145,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.34851038,ISDB,YLUOVOKBMSLYGX-BJLQDIEVSA-N,"InChI=1S/C20H21NO6/c1-23-15-7-10-5-6-21-17-11-3-4-14-19(26-9-25-14)16(11)20(24-2)27-18(17)12(10)8-13(15)22/h3-4,7-8,17-18,20-22H,5-6,9H2,1-2H3/t17-,18-,20-/m0/s1",COc1cc2c(cc1O)[C@@H]1O[C@H](OC)c3c(ccc4c3OCO4)[C@@H]1NCC2,C20H21NO6,,371.136887392,YLUOVOKBMSLYGX,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver glaucum,84040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver glaucum'],4,3,6.894041538238525 167674,7298,145,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.34851038,ISDB,YLUOVOKBMSLYGX-PGYGNJIDSA-N,"InChI=1S/C20H21NO6/c1-23-15-7-10-5-6-21-17-11-3-4-14-19(26-9-25-14)16(11)20(24-2)27-18(17)12(10)8-13(15)22/h3-4,7-8,17-18,20-22H,5-6,9H2,1-2H3/t17-,18?,20?/m1/s1",COc1cc2c(cc1O)C1OC(OC)c3c(ccc4c3OCO4)[C@H]1NCC2,C20H21NO6,,371.136887392,YLUOVOKBMSLYGX,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver somniferum,438118.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver somniferum'],4,3,6.894041538238525 167675,7298,145,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.34851038,ISDB,YLUOVOKBMSLYGX-PGYGNJIDSA-N,"InChI=1S/C20H21NO6/c1-23-15-7-10-5-6-21-17-11-3-4-14-19(26-9-25-14)16(11)20(24-2)27-18(17)12(10)8-13(15)22/h3-4,7-8,17-18,20-22H,5-6,9H2,1-2H3/t17-,18?,20?/m1/s1",COc1cc2c(cc1O)C1OC(OC)c3c(ccc4c3OCO4)[C@H]1NCC2,C20H21NO6,,371.136887392,YLUOVOKBMSLYGX,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver rhoeas,867221.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver rhoeas'],4,3,6.894041538238525 167676,7298,145,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.34851038,ISDB,YLUOVOKBMSLYGX-UHFFFAOYSA-N,"InChI=1S/C20H21NO6/c1-23-15-7-10-5-6-21-17-11-3-4-14-19(26-9-25-14)16(11)20(24-2)27-18(17)12(10)8-13(15)22/h3-4,7-8,17-18,20-22H,5-6,9H2,1-2H3",COc1cc2c(cc1O)C1OC(OC)c3c(ccc4c3OCO4)C1NCC2,C20H21NO6,,371.136887392,YLUOVOKBMSLYGX,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver pygmaeum,3944896.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver pygmaeum'],4,3,6.894041538238525 167677,7298,145,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.34851038,ISDB,YLUOVOKBMSLYGX-PGYGNJIDSA-N,"InChI=1S/C20H21NO6/c1-23-15-7-10-5-6-21-17-11-3-4-14-19(26-9-25-14)16(11)20(24-2)27-18(17)12(10)8-13(15)22/h3-4,7-8,17-18,20-22H,5-6,9H2,1-2H3/t17-,18?,20?/m1/s1",COc1cc2c(cc1O)C1OC(OC)c3c(ccc4c3OCO4)[C@H]1NCC2,C20H21NO6,,371.136887392,YLUOVOKBMSLYGX,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver argemone,605766.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver argemone'],4,3,6.894041538238525 167678,7298,145,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.34851038,ISDB,YLUOVOKBMSLYGX-PGYGNJIDSA-N,"InChI=1S/C20H21NO6/c1-23-15-7-10-5-6-21-17-11-3-4-14-19(26-9-25-14)16(11)20(24-2)27-18(17)12(10)8-13(15)22/h3-4,7-8,17-18,20-22H,5-6,9H2,1-2H3/t17-,18?,20?/m1/s1",COc1cc2c(cc1O)C1OC(OC)c3c(ccc4c3OCO4)[C@H]1NCC2,C20H21NO6,,371.136887392,YLUOVOKBMSLYGX,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver orientale,171970.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver orientale'],4,3,6.894041538238525 167679,7298,145,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.34851038,ISDB,YLUOVOKBMSLYGX-PGYGNJIDSA-N,"InChI=1S/C20H21NO6/c1-23-15-7-10-5-6-21-17-11-3-4-14-19(26-9-25-14)16(11)20(24-2)27-18(17)12(10)8-13(15)22/h3-4,7-8,17-18,20-22H,5-6,9H2,1-2H3/t17-,18?,20?/m1/s1",COc1cc2c(cc1O)C1OC(OC)c3c(ccc4c3OCO4)[C@H]1NCC2,C20H21NO6,,371.136887392,YLUOVOKBMSLYGX,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver bracteatum,237538.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver bracteatum'],4,3,6.894041538238525 167680,7298,145,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.34851038,ISDB,YLUOVOKBMSLYGX-PGYGNJIDSA-N,"InChI=1S/C20H21NO6/c1-23-15-7-10-5-6-21-17-11-3-4-14-19(26-9-25-14)16(11)20(24-2)27-18(17)12(10)8-13(15)22/h3-4,7-8,17-18,20-22H,5-6,9H2,1-2H3/t17-,18?,20?/m1/s1",COc1cc2c(cc1O)C1OC(OC)c3c(ccc4c3OCO4)[C@H]1NCC2,C20H21NO6,,371.136887392,YLUOVOKBMSLYGX,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Meconopsis cambrica,542241.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Meconopsis'],['Meconopsis cambrica'],4,3,6.894041538238525 167681,7298,145,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.34851038,ISDB,YLUOVOKBMSLYGX-UHFFFAOYSA-N,"InChI=1S/C20H21NO6/c1-23-15-7-10-5-6-21-17-11-3-4-14-19(26-9-25-14)16(11)20(24-2)27-18(17)12(10)8-13(15)22/h3-4,7-8,17-18,20-22H,5-6,9H2,1-2H3",COc1cc2c(cc1O)C1OC(OC)c3c(ccc4c3OCO4)C1NCC2,C20H21NO6,,371.136887392,YLUOVOKBMSLYGX,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver atlanticum,605770.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver atlanticum'],4,3,6.894041538238525 167682,7298,145,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.34851038,ISDB,YLUOVOKBMSLYGX-UHFFFAOYSA-N,"InChI=1S/C20H21NO6/c1-23-15-7-10-5-6-21-17-11-3-4-14-19(26-9-25-14)16(11)20(24-2)27-18(17)12(10)8-13(15)22/h3-4,7-8,17-18,20-22H,5-6,9H2,1-2H3",COc1cc2c(cc1O)C1OC(OC)c3c(ccc4c3OCO4)C1NCC2,C20H21NO6,,371.136887392,YLUOVOKBMSLYGX,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver nudicaule,784404.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver nudicaule'],4,3,6.894041538238525 167683,7298,145,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.34851038,ISDB,YLUOVOKBMSLYGX-UHFFFAOYSA-N,"InChI=1S/C20H21NO6/c1-23-15-7-10-5-6-21-17-11-3-4-14-19(26-9-25-14)16(11)20(24-2)27-18(17)12(10)8-13(15)22/h3-4,7-8,17-18,20-22H,5-6,9H2,1-2H3",COc1cc2c(cc1O)C1OC(OC)c3c(ccc4c3OCO4)C1NCC2,C20H21NO6,,371.136887392,YLUOVOKBMSLYGX,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver hybridum,84043.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver hybridum'],4,3,6.894041538238525 167684,7298,145,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.34851038,ISDB,YLUOVOKBMSLYGX-PGYGNJIDSA-N,"InChI=1S/C20H21NO6/c1-23-15-7-10-5-6-21-17-11-3-4-14-19(26-9-25-14)16(11)20(24-2)27-18(17)12(10)8-13(15)22/h3-4,7-8,17-18,20-22H,5-6,9H2,1-2H3/t17-,18?,20?/m1/s1",COc1cc2c(cc1O)C1OC(OC)c3c(ccc4c3OCO4)[C@H]1NCC2,C20H21NO6,,371.136887392,YLUOVOKBMSLYGX,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver albiflorum,5727872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver albiflorum'],4,3,6.894041538238525 167645,7296,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.59367704,ISDB,,,,,,,QAHGWBXHJADPOM,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.3747081756591797 167637,7295,-1,,,,0.0,MS1_match,QUBNLZCADIYAFW-XAMQMYJNSA-N,"InChI=1S/C35H56O8/c1-30(2)13-15-35(29(40)41)16-14-33(5)20(21(35)17-30)7-8-24-31(3)11-10-25(43-28-27(39)26(38)22(37)18-42-28)32(4,19-36)23(31)9-12-34(24,33)6/h7,21-28,36-39H,8-19H2,1-6H3,(H,40,41)/t21-,22+,23+,24+,25-,26+,27-,28-,31-,32-,33+,34+,35-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@@H](O)[C@@H](O)[C@@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C35H56O8,pos_1_1potassium,604.397518752,QUBNLZCADIYAFW,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lonicera nigra,179065.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera nigra'],8,0,8.0 167638,7295,-1,,,,0.0,MS1_match,QUBNLZCADIYAFW-XAMQMYJNSA-N,"InChI=1S/C35H56O8/c1-30(2)13-15-35(29(40)41)16-14-33(5)20(21(35)17-30)7-8-24-31(3)11-10-25(43-28-27(39)26(38)22(37)18-42-28)32(4,19-36)23(31)9-12-34(24,33)6/h7,21-28,36-39H,8-19H2,1-6H3,(H,40,41)/t21-,22+,23+,24+,25-,26+,27-,28-,31-,32-,33+,34+,35-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@@H](O)[C@@H](O)[C@@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C35H56O8,pos_1_1potassium,604.397518752,QUBNLZCADIYAFW,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lonicera nigra,179065.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera nigra'],8,0,8.0 167572,7294,-1,,,,0.22046678,ISDB,RAYZRCGMIDUTKS-UHFFFAOYSA-N,"InChI=1S/C17H24O10/c1-3-7-8-4-11(23-2)26-15(22)9(8)6-24-16(7)27-17-14(21)13(20)12(19)10(5-18)25-17/h3,6-8,10-14,16-21H,1,4-5H2,2H3",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C2C(=O)OC(OC)CC21,C17H24O10,,388.136946968,RAYZRCGMIDUTKS,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera confusa,594829.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera confusa'],7,0,7.8818671107292175 167573,7294,-1,,,,0.22046678,ISDB,RAYZRCGMIDUTKS-UHFFFAOYSA-N,"InChI=1S/C17H24O10/c1-3-7-8-4-11(23-2)26-15(22)9(8)6-24-16(7)27-17-14(21)13(20)12(19)10(5-18)25-17/h3,6-8,10-14,16-21H,1,4-5H2,2H3",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C2C(=O)OC(OC)CC21,C17H24O10,,388.136946968,RAYZRCGMIDUTKS,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera macrantha,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.8818671107292175 167574,7294,-1,,,,0.22046678,ISDB,RAYZRCGMIDUTKS-UHFFFAOYSA-N,"InChI=1S/C17H24O10/c1-3-7-8-4-11(23-2)26-15(22)9(8)6-24-16(7)27-17-14(21)13(20)12(19)10(5-18)25-17/h3,6-8,10-14,16-21H,1,4-5H2,2H3",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C2C(=O)OC(OC)CC21,C17H24O10,,388.136946968,RAYZRCGMIDUTKS,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera fulvotomentosa,650610.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera fulvotomentosa'],7,0,7.8818671107292175 167575,7294,-1,,,,0.22046678,ISDB,RAYZRCGMIDUTKS-UHFFFAOYSA-N,"InChI=1S/C17H24O10/c1-3-7-8-4-11(23-2)26-15(22)9(8)6-24-16(7)27-17-14(21)13(20)12(19)10(5-18)25-17/h3,6-8,10-14,16-21H,1,4-5H2,2H3",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C2C(=O)OC(OC)CC21,C17H24O10,,388.136946968,RAYZRCGMIDUTKS,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera hypoglauca,235196.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera hypoglauca'],7,0,7.8818671107292175 167576,7294,-1,,,,0.22046678,ISDB,RAYZRCGMIDUTKS-RJFLBQOQSA-N,"InChI=1S/C17H24O10/c1-3-7-8-4-11(23-2)26-15(22)9(8)6-24-16(7)27-17-14(21)13(20)12(19)10(5-18)25-17/h3,6-8,10-14,16-21H,1,4-5H2,2H3/t7-,8+,10-,11+,12-,13+,14-,16+,17+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)O[C@H](OC)C[C@H]21,C17H24O10,,388.1369469679999,RAYZRCGMIDUTKS,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.8818671107292175 167560,7290,657,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,0.0,MS1_match,MCHOUIJOPUPQRU-UHFFFAOYSA-N,"InChI=1S/C13H18O3/c1-8-2-3-9-6-11(9)7-10(13(15)16)4-5-12(8)14/h7,9,11-12,14H,1-6H2,(H,15,16)",C=C1CCC2CC2C=C(C(=O)O)CCC1O,C13H18O3,pos_1_1proton1methanol,222.125594436,MCHOUIJOPUPQRU,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,Valeriana dageletiana,7625130.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana dageletiana'],6,3,7.5 167561,7290,657,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,0.0,MS1_match,MCHOUIJOPUPQRU-UHFFFAOYSA-N,"InChI=1S/C13H18O3/c1-8-2-3-9-6-11(9)7-10(13(15)16)4-5-12(8)14/h7,9,11-12,14H,1-6H2,(H,15,16)",C=C1CCC2CC2C=C(C(=O)O)CCC1O,C13H18O3,pos_1_1proton1methanol,222.125594436,MCHOUIJOPUPQRU,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,3,7.5 165933,7289,-1,,,,0.20581667,ISDB,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Lonicera tatarica,980069.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],7,0,7.823266685009003 165934,7289,-1,,,,0.20581667,ISDB,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Lonicera angustifolia,6061340.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera angustifolia'],7,0,7.823266685009003 165919,7288,-1,,,,0.0,MS1_match,GXWUEMSASMVWKO-IRJHRTJJSA-N,"InChI=1S/C41H66O12/c1-36(2)14-16-41(35(48)49)17-15-39(6)21(22(41)18-36)8-9-26-38(5)12-11-27(37(3,4)25(38)10-13-40(26,39)7)52-34-32(28(44)23(43)20-50-34)53-33-31(47)30(46)29(45)24(19-42)51-33/h8,22-34,42-47H,9-20H2,1-7H3,(H,48,49)/t22-,23+,24+,25-,26+,27-,28+,29+,30-,31+,32-,33-,34-,38-,39+,40+,41-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@@H](O)[C@@H](O)[C@@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C41H66O12,pos_1_1potassium,750.455427552,GXWUEMSASMVWKO,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lonicera nigra,179065.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera nigra'],8,0,8.0 165920,7288,-1,,,,0.0,MS1_match,GXWUEMSASMVWKO-IRJHRTJJSA-N,"InChI=1S/C41H66O12/c1-36(2)14-16-41(35(48)49)17-15-39(6)21(22(41)18-36)8-9-26-38(5)12-11-27(37(3,4)25(38)10-13-40(26,39)7)52-34-32(28(44)23(43)20-50-34)53-33-31(47)30(46)29(45)24(19-42)51-33/h8,22-34,42-47H,9-20H2,1-7H3,(H,48,49)/t22-,23+,24+,25-,26+,27-,28+,29+,30-,31+,32-,33-,34-,38-,39+,40+,41-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@@H](O)[C@@H](O)[C@@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C41H66O12,pos_1_1potassium,750.455427552,GXWUEMSASMVWKO,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lonicera nigra,179065.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera nigra'],8,0,8.0 165921,7288,-1,,,,0.0,MS1_match,GXWUEMSASMVWKO-IRJHRTJJSA-N,"InChI=1S/C41H66O12/c1-36(2)14-16-41(35(48)49)17-15-39(6)21(22(41)18-36)8-9-26-38(5)12-11-27(37(3,4)25(38)10-13-40(26,39)7)52-34-32(28(44)23(43)20-50-34)53-33-31(47)30(46)29(45)24(19-42)51-33/h8,22-34,42-47H,9-20H2,1-7H3,(H,48,49)/t22-,23+,24+,25-,26+,27-,28+,29+,30-,31+,32-,33-,34-,38-,39+,40+,41-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@@H](O)[C@@H](O)[C@@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C41H66O12,pos_1_1potassium,750.455427552,GXWUEMSASMVWKO,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lonicera nigra,179065.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera nigra'],8,0,8.0 165907,7287,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.34972653,ISDB,DFBQUTBOVLBEHN-DYLKLMJLSA-N,"InChI=1S/C40H64O12/c1-35(2)14-15-40(34(47)48)21(16-35)20-8-9-25-37(5)12-11-27(36(3,4)24(37)10-13-38(25,6)39(20,7)17-26(40)42)52-33-31(46)29(44)23(19-50-33)51-32-30(45)28(43)22(41)18-49-32/h8,21-33,41-46H,9-19H2,1-7H3,(H,47,48)/t21-,22+,23+,24+,25+,26-,27+,28+,29+,30-,31-,32+,33+,37+,38-,39-,40-/m1/s1",CC1(C)CC[C@]2(C(=O)O)[C@H](O)C[C@]3(C)C(=CC[C@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2C1,C40H64O12,,736.439777488,DFBQUTBOVLBEHN,Terpenoids,Triterpenoids,Oleanane triterpenoids,Deutzia hookeriana,5740066.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Hydrangeaceae'],['Unknown'],['Deutzia'],['Deutzia hookeriana'],4,3,6.898906111717224 165908,7287,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.34972653,ISDB,DFBQUTBOVLBEHN-DYLKLMJLSA-N,"InChI=1S/C40H64O12/c1-35(2)14-15-40(34(47)48)21(16-35)20-8-9-25-37(5)12-11-27(36(3,4)24(37)10-13-38(25,6)39(20,7)17-26(40)42)52-33-31(46)29(44)23(19-50-33)51-32-30(45)28(43)22(41)18-49-32/h8,21-33,41-46H,9-19H2,1-7H3,(H,47,48)/t21-,22+,23+,24+,25+,26-,27+,28+,29+,30-,31-,32+,33+,37+,38-,39-,40-/m1/s1",CC1(C)CC[C@]2(C(=O)O)[C@H](O)C[C@]3(C)C(=CC[C@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2C1,C40H64O12,,736.439777488,DFBQUTBOVLBEHN,Terpenoids,Triterpenoids,Oleanane triterpenoids,Deutzia corymbosa,282348.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Hydrangeaceae'],['Unknown'],['Deutzia'],['Deutzia corymbosa'],4,3,6.898906111717224 165851,7286,-1,,,,0.0,MS1_match,RAYZRCGMIDUTKS-UHFFFAOYSA-N,"InChI=1S/C17H24O10/c1-3-7-8-4-11(23-2)26-15(22)9(8)6-24-16(7)27-17-14(21)13(20)12(19)10(5-18)25-17/h3,6-8,10-14,16-21H,1,4-5H2,2H3",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C2C(=O)OC(OC)CC21,C17H24O10,pos_1_sodium,388.136946968,RAYZRCGMIDUTKS,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera macrantha,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 165852,7286,-1,,,,0.0,MS1_match,CSKKDSFETGLMSB-NRZPKYKESA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11-,12-,13+,14-,16+,17+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC=O,C17H24O10,pos_1_sodium,388.1369469679999,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera korolkowii,692192.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera korolkowii'],7,0,7.0 165853,7286,-1,,,,0.0,MS1_match,CSKKDSFETGLMSB-NRZPKYKESA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11-,12-,13+,14-,16+,17+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC=O,C17H24O10,pos_1_sodium,388.1369469679999,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera dioica,920862.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera dioica'],7,0,7.0 165854,7286,-1,,,,0.0,MS1_match,CSKKDSFETGLMSB-NRZPKYKESA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11-,12-,13+,14-,16+,17+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC=O,C17H24O10,pos_1_sodium,388.1369469679999,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera tatarica,980069.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],7,0,7.0 165855,7286,-1,,,,0.0,MS1_match,CSKKDSFETGLMSB-QOMIBOLPSA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11-,12-,13+,14-,16+,17-/m1/s1",C=C[C@H]1[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC=O,C17H24O10,pos_1_sodium,388.136946968,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera periclymenum,811893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera periclymenum'],7,0,7.0 165856,7286,-1,,,,0.0,MS1_match,CSKKDSFETGLMSB-UHFFFAOYSA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC=O,C17H24O10,pos_1_sodium,388.1369469679999,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera morrowii,484242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],7,0,7.0 165857,7286,-1,,,,0.0,MS1_match,CSKKDSFETGLMSB-FUJZYWHJSA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11-,12-,13+,14-,16-,17+/m1/s1",C=C[C@H]1[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC=O,C17H24O10,pos_1_sodium,388.136946968,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 165858,7286,-1,,,,0.0,MS1_match,CSKKDSFETGLMSB-NRZPKYKESA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11-,12-,13+,14-,16+,17+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC=O,C17H24O10,pos_1_sodium,388.1369469679999,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],7,0,7.0 165859,7286,-1,,,,0.0,MS1_match,CSKKDSFETGLMSB-NRZPKYKESA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11-,12-,13+,14-,16+,17+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC=O,C17H24O10,pos_1_sodium,388.1369469679999,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera dioica,920862.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera dioica'],7,0,7.0 165860,7286,-1,,,,0.0,MS1_match,CSKKDSFETGLMSB-NRZPKYKESA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11-,12-,13+,14-,16+,17+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC=O,C17H24O10,pos_1_sodium,388.1369469679999,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera tatarica,980069.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],7,0,7.0 165861,7286,-1,,,,0.0,MS1_match,CSKKDSFETGLMSB-QOMIBOLPSA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11-,12-,13+,14-,16+,17-/m1/s1",C=C[C@H]1[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC=O,C17H24O10,pos_1_sodium,388.136946968,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera periclymenum,811893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera periclymenum'],7,0,7.0 165862,7286,-1,,,,0.0,MS1_match,CSKKDSFETGLMSB-UHFFFAOYSA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC=O,C17H24O10,pos_1_sodium,388.1369469679999,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera morrowii,484242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],7,0,7.0 165863,7286,-1,,,,0.0,MS1_match,CSKKDSFETGLMSB-FUJZYWHJSA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11-,12-,13+,14-,16-,17+/m1/s1",C=C[C@H]1[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC=O,C17H24O10,pos_1_sodium,388.136946968,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 165864,7286,-1,,,,0.0,MS1_match,CSKKDSFETGLMSB-NRZPKYKESA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11-,12-,13+,14-,16+,17+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC=O,C17H24O10,pos_1_sodium,388.1369469679999,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],7,0,7.0 165865,7286,-1,,,,0.0,MS1_match,CSKKDSFETGLMSB-NRZPKYKESA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11-,12-,13+,14-,16+,17+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC=O,C17H24O10,pos_1_sodium,388.1369469679999,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera korolkowii,692192.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera korolkowii'],7,0,7.0 165866,7286,-1,,,,0.0,MS1_match,LPOVXLVQNSEZGE-PMRPVAAPSA-N,"InChI=1S/C17H24O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,10-14,16-18,20-22H,3-4H2,1-2H3/t6-,7+,10+,11+,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1CC(=O)[C@@H]2C,C17H24O10,pos_1_sodium,388.1369469679999,LPOVXLVQNSEZGE,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera morrowii,484242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],7,0,7.0 165867,7286,-1,,,,0.0,MS1_match,RAYZRCGMIDUTKS-UHFFFAOYSA-N,"InChI=1S/C17H24O10/c1-3-7-8-4-11(23-2)26-15(22)9(8)6-24-16(7)27-17-14(21)13(20)12(19)10(5-18)25-17/h3,6-8,10-14,16-21H,1,4-5H2,2H3",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C2C(=O)OC(OC)CC21,C17H24O10,pos_1_sodium,388.136946968,RAYZRCGMIDUTKS,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera fulvotomentosa,650610.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera fulvotomentosa'],7,0,7.0 165868,7286,-1,,,,0.0,MS1_match,RAYZRCGMIDUTKS-UHFFFAOYSA-N,"InChI=1S/C17H24O10/c1-3-7-8-4-11(23-2)26-15(22)9(8)6-24-16(7)27-17-14(21)13(20)12(19)10(5-18)25-17/h3,6-8,10-14,16-21H,1,4-5H2,2H3",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C2C(=O)OC(OC)CC21,C17H24O10,pos_1_sodium,388.136946968,RAYZRCGMIDUTKS,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera hypoglauca,235196.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera hypoglauca'],7,0,7.0 165869,7286,-1,,,,0.0,MS1_match,RAYZRCGMIDUTKS-UHFFFAOYSA-N,"InChI=1S/C17H24O10/c1-3-7-8-4-11(23-2)26-15(22)9(8)6-24-16(7)27-17-14(21)13(20)12(19)10(5-18)25-17/h3,6-8,10-14,16-21H,1,4-5H2,2H3",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C2C(=O)OC(OC)CC21,C17H24O10,pos_1_sodium,388.136946968,RAYZRCGMIDUTKS,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera confusa,594829.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera confusa'],7,0,7.0 165870,7286,-1,,,,0.0,MS1_match,RAYZRCGMIDUTKS-RJFLBQOQSA-N,"InChI=1S/C17H24O10/c1-3-7-8-4-11(23-2)26-15(22)9(8)6-24-16(7)27-17-14(21)13(20)12(19)10(5-18)25-17/h3,6-8,10-14,16-21H,1,4-5H2,2H3/t7-,8+,10-,11+,12-,13+,14-,16+,17+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)O[C@H](OC)C[C@H]21,C17H24O10,pos_1_sodium,388.1369469679999,RAYZRCGMIDUTKS,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 165871,7286,-1,,,,0.0,MS1_match,RAYZRCGMIDUTKS-UHFFFAOYSA-N,"InChI=1S/C17H24O10/c1-3-7-8-4-11(23-2)26-15(22)9(8)6-24-16(7)27-17-14(21)13(20)12(19)10(5-18)25-17/h3,6-8,10-14,16-21H,1,4-5H2,2H3",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C2C(=O)OC(OC)CC21,C17H24O10,pos_1_sodium,388.136946968,RAYZRCGMIDUTKS,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera macrantha,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 165872,7286,-1,,,,0.0,MS1_match,RAYZRCGMIDUTKS-UHFFFAOYSA-N,"InChI=1S/C17H24O10/c1-3-7-8-4-11(23-2)26-15(22)9(8)6-24-16(7)27-17-14(21)13(20)12(19)10(5-18)25-17/h3,6-8,10-14,16-21H,1,4-5H2,2H3",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C2C(=O)OC(OC)CC21,C17H24O10,pos_1_sodium,388.136946968,RAYZRCGMIDUTKS,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera fulvotomentosa,650610.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera fulvotomentosa'],7,0,7.0 165873,7286,-1,,,,0.0,MS1_match,LPOVXLVQNSEZGE-UHFFFAOYSA-N,"InChI=1S/C17H24O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,10-14,16-18,20-22H,3-4H2,1-2H3",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(C)C(=O)CC12,C17H24O10,pos_1_sodium,388.1369469679999,LPOVXLVQNSEZGE,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],7,0,7.0 165874,7286,-1,,,,0.0,MS1_match,RAYZRCGMIDUTKS-UHFFFAOYSA-N,"InChI=1S/C17H24O10/c1-3-7-8-4-11(23-2)26-15(22)9(8)6-24-16(7)27-17-14(21)13(20)12(19)10(5-18)25-17/h3,6-8,10-14,16-21H,1,4-5H2,2H3",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C2C(=O)OC(OC)CC21,C17H24O10,pos_1_sodium,388.136946968,RAYZRCGMIDUTKS,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera hypoglauca,235196.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera hypoglauca'],7,0,7.0 165875,7286,-1,,,,0.0,MS1_match,LPOVXLVQNSEZGE-UHFFFAOYSA-N,"InChI=1S/C17H24O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,10-14,16-18,20-22H,3-4H2,1-2H3",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(C)C(=O)CC12,C17H24O10,pos_1_sodium,388.1369469679999,LPOVXLVQNSEZGE,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],7,0,7.0 165876,7286,-1,,,,0.0,MS1_match,RAYZRCGMIDUTKS-UHFFFAOYSA-N,"InChI=1S/C17H24O10/c1-3-7-8-4-11(23-2)26-15(22)9(8)6-24-16(7)27-17-14(21)13(20)12(19)10(5-18)25-17/h3,6-8,10-14,16-21H,1,4-5H2,2H3",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C2C(=O)OC(OC)CC21,C17H24O10,pos_1_sodium,388.136946968,RAYZRCGMIDUTKS,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera confusa,594829.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera confusa'],7,0,7.0 165877,7286,-1,,,,0.0,MS1_match,RAYZRCGMIDUTKS-RJFLBQOQSA-N,"InChI=1S/C17H24O10/c1-3-7-8-4-11(23-2)26-15(22)9(8)6-24-16(7)27-17-14(21)13(20)12(19)10(5-18)25-17/h3,6-8,10-14,16-21H,1,4-5H2,2H3/t7-,8+,10-,11+,12-,13+,14-,16+,17+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)O[C@H](OC)C[C@H]21,C17H24O10,pos_1_sodium,388.1369469679999,RAYZRCGMIDUTKS,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 165878,7286,-1,,,,0.0,MS1_match,LPOVXLVQNSEZGE-PMRPVAAPSA-N,"InChI=1S/C17H24O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,10-14,16-18,20-22H,3-4H2,1-2H3/t6-,7+,10+,11+,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1CC(=O)[C@@H]2C,C17H24O10,pos_1_sodium,388.1369469679999,LPOVXLVQNSEZGE,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera morrowii,484242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],7,0,7.0 165816,7285,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,OCNYGKNIVPVPPX-HWKANZROSA-N,"InChI=1S/C10H10O4/c1-14-10(13)5-3-7-2-4-8(11)9(12)6-7/h2-6,11-12H,1H3/b5-3+",COC(=O)/C=C/c1ccc(O)c(O)c1,C10H10O4,pos_1_1proton1methanol,194.0579088,OCNYGKNIVPVPPX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera bournei,5746380.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera bournei'],7,3,8.5 165677,7284,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.32566229,ISDB,BFSRJRKZZSIEFP-MOHLSBLISA-N,"InChI=1S/C30H46O2/c1-24(2)14-16-29-17-15-28(7)27(6)12-8-20-25(3,4)23(31)10-11-26(20,5)21(27)9-13-30(28,32-19-29)22(29)18-24/h9,13,20-22H,8,10-12,14-19H2,1-7H3/t20-,21-,22-,26+,27-,28+,29-,30-/m1/s1",CC1(C)CC[C@@]23CC[C@@]4(C)[C@]5(C)CC[C@@H]6C(C)(C)C(=O)CC[C@]6(C)[C@H]5C=C[C@@]4(OC2)[C@@H]3C1,C30H46O2,,438.349780712,BFSRJRKZZSIEFP,Terpenoids,Triterpenoids,Oleanane triterpenoids,Viburnum odoratissimum var. awabuki,90825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Adoxaceae'],['Unknown'],['Viburnum'],['Viburnum awabuki'],5,3,7.802649140357971 165007,7282,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.38385373,ISDB,VMYXUZSZMNBRCN-UHFFFAOYSA-N,"InChI=1S/C15H22/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8-11,14H,5,7H2,1-4H3",CC(C)=CCCC(C)c1ccc(C)cc1,C15H22,,202.172150704,VMYXUZSZMNBRCN,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,2,8.535414934158325 165008,7282,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.38385373,ISDB,VMYXUZSZMNBRCN-UHFFFAOYSA-N,"InChI=1S/C15H22/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8-11,14H,5,7H2,1-4H3",CC(C)=CCCC(C)c1ccc(C)cc1,C15H22,,202.172150704,VMYXUZSZMNBRCN,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,2,8.535414934158325 165009,7282,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.38385373,ISDB,VMYXUZSZMNBRCN-UHFFFAOYSA-N,"InChI=1S/C15H22/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8-11,14H,5,7H2,1-4H3",CC(C)=CCCC(C)c1ccc(C)cc1,C15H22,,202.172150704,VMYXUZSZMNBRCN,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Valeriana wolgensis,5746446.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana wolgensis'],6,2,8.535414934158325 164963,7281,-1,,,,0.0,MS1_match,CSKKDSFETGLMSB-QOMIBOLPSA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11-,12-,13+,14-,16+,17-/m1/s1",C=C[C@H]1[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC=O,C17H24O10,pos_1_1potassium,388.136946968,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera periclymenum,811893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera periclymenum'],8,0,8.0 164964,7281,-1,,,,0.0,MS1_match,CSKKDSFETGLMSB-QOMIBOLPSA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11-,12-,13+,14-,16+,17-/m1/s1",C=C[C@H]1[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC=O,C17H24O10,pos_1_1potassium,388.136946968,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera periclymenum,811893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera periclymenum'],8,0,8.0 164927,7276,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.5245799,ISDB,CMXCLTFHXRTSPB-WIXFNSMHSA-N,"InChI=1S/C30H44O2/c1-18(2)9-7-10-19(3)23-14-22-16-30(25(23)13-21(22)5)26-15-24-20(4)11-8-12-29(24,6)17-27(26)32-28(30)31/h9,13,15,19-20,22-23,25-27H,7-8,10-12,14,16-17H2,1-6H3/t19-,20-,22+,23-,25-,26-,27+,29+,30-/m0/s1",CC(C)=CCC[C@H](C)[C@@H]1C[C@@H]2C[C@]3(C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)C5=C[C@@H]43)[C@H]1C=C2C,C30H44O2,,436.334130648,CMXCLTFHXRTSPB,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Helenium autumnale,483908.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Helenieae'],['Helenium'],['Helenium autumnale'],4,2,7.0983195304870605 164908,7275,-1,,,,0.4789665,ISDB,ZLVUKTCVZMRXFB-NRXGSXMXSA-N,"InChI=1S/C19H21NO6/c1-24-14-7-11-12(8-15(14)25-2)19-9-16(26-3)13(21)6-10(19)4-5-20(19)18(23)17(11)22/h6-8,13,16,21H,4-5,9H2,1-3H3/t13-,16-,19+/m1/s1",COc1cc2c(cc1OC)[C@]13C[C@@H](OC)[C@H](O)C=C1CCN3C(=O)C2=O,C19H21NO6,,359.13688739199995,ZLVUKTCVZMRXFB,Alkaloids,Lysine alkaloids,Indolizidine alkaloids,Erythrina subumbrans,80721.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Erythrina'],['Erythrina subumbrans'],0,0,1.9158660173416138 164854,7274,491,Amino acids and Peptides,Phenylpropanoids (C6-C3),Cinnamic acid amides,0.6239671,ISDB,QGYGWYUQPCKNKZ-VMPITWQZSA-N,"InChI=1S/C19H21NO5/c1-24-17-7-4-13(11-16(17)22)5-8-19(23)20-10-9-14-3-6-15(21)18(12-14)25-2/h3-8,11-12,21-22H,9-10H2,1-2H3,(H,20,23)/b8-5+",COc1ccc(/C=C/C(=O)NCCc2ccc(O)c(OC)c2)cc1O,C19H21NO5,,343.141972772,QGYGWYUQPCKNKZ,Amino acids and Peptides,Phenylpropanoids (C6-C3),Cinnamic acid amides,Chenopodium album,892395.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Chenopodiaceae'],['Atripliceae'],['Chenopodium'],['Chenopodium album'],0,3,3.995868444442749 164786,7272,759,Alkaloids,Tyrosine alkaloids,Terpenoid alkaloids,0.6882256,ISDB,CDIRTKSHNLUOTQ-NEZXWZPGSA-N,"InChI=1S/C19H19NO4/c1-10-19(3)16-18(2,17(22-10)24-19)13-14(21)12(9-20-15(13)23-16)11-7-5-4-6-8-11/h4-10,16-17H,1-3H3,(H,20,21)/t10-,16+,17-,18-,19-/m1/s1",C[C@H]1O[C@@H]2O[C@@]1(C)[C@H]1Oc3ncc(-c4ccccc4)c(O)c3[C@@]21C,C19H19NO4,,325.131408088,CDIRTKSHNLUOTQ,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Penicillium,199764.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Penicillium'],['Unknown'],0,1,3.2529025077819824 164776,7271,11,Alkaloids,Monoterpenoids,Iridoids monoterpenoids,0.58375895,ISDB,WJICHKNOWJBIKJ-LVQVYYBASA-N,"InChI=1S/C20H27NO7/c1-11(22)27-16-9-13-8-14(10-15(16)21(13)2)28-20(23)12-6-17(24-3)19(26-5)18(7-12)25-4/h6-7,13-16H,8-10H2,1-5H3/t13-,14-,15+,16-/m1/s1",COc1cc(C(=O)O[C@@H]2C[C@@H]3C[C@@H](OC(C)=O)[C@H](C2)N3C)cc(OC)c1OC,C20H27NO7,,393.178752204,WJICHKNOWJBIKJ,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Erythroxylum zeylanicum,6100416.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Erythroxylaceae'],['Unknown'],['Erythroxylum'],['Erythroxylum zeylanicum'],0,1,2.835035800933838 164746,7270,-1,,,,0.5073528,ISDB,,,,,,,KDFFHQWIQPWMSY,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.0294113159179688 164745,7268,759,Alkaloids,Tyrosine alkaloids,Terpenoid alkaloids,0.71896344,ISDB,SDLILULALIDNSO-UHFFFAOYSA-N,"InChI=1S/C16H19NO3/c1-20-16-7-4-13(10-15(16)19)11-17-9-8-12-2-5-14(18)6-3-12/h2-7,10,17-19H,8-9,11H2,1H3",COc1ccc(CNCCc2ccc(O)cc2)cc1O,C16H19NO3,,273.136493468,SDLILULALIDNSO,Alkaloids,Tyrosine alkaloids,Phenylethylamines,Crinum kirkii,118198.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Unknown'],['Crinum'],['Crinum kirkii'],0,2,3.8758537769317627 164688,7266,-1,,,,0.39614668,ISDB,HBRFKORKLCCQOQ-IDOKYYSUSA-N,"InChI=1S/C18H28O3/c1-11-15(20)13(19)9-14-17(11,3)6-5-12-10-16(2,21)7-8-18(12,14)4/h12,14,20-21H,5-10H2,1-4H3/t12-,14-,16-,17+,18-/m0/s1",CC1=C(O)C(=O)C[C@@H]2[C@@]3(C)CC[C@](C)(O)C[C@@H]3CC[C@]12C,C18H28O3,,292.203844756,HBRFKORKLCCQOQ,Terpenoids,Diterpenoids,Erythroxylane diterpenoids,Ceriops tagal,163833.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Rhizophoraceae'],['Unknown'],['Ceriops'],['Ceriops tagal'],4,0,5.5845867395401 164654,7264,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.5561257,ISDB,VHFYCADQVMYJEI-OCCSQVGLSA-N,"InChI=1S/C14H22/c1-10(2)13-8-7-12-6-4-5-11(3)14(12)9-13/h12,14H,3-9H2,1-2H3/t12-,14+/m1/s1",C=C1CCC[C@@H]2CCC(=C(C)C)C[C@@H]12,C14H22,,190.172150704,VHFYCADQVMYJEI,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Trichogonia salviifolia,5739079.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Trichogonia'],['Trichogonia salviifolia'],4,3,7.724502801895142 164414,7263,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.5737105,ISDB,UNULJZGBTGCCHL-WAJDCHDJSA-N,"InChI=1S/C29H46O/c1-25(2)14-10-19-11-16-28(6)21(20(19)18-25)8-9-23-27(5)15-13-24(30)26(3,4)22(27)12-17-29(23,28)7/h8,22-24,30H,9-18H2,1-7H3/t22-,23+,24-,27-,28+,29+/m0/s1",CC1(C)CCC2=C(C1)C1=CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C29H46O,,410.3548660919999,UNULJZGBTGCCHL,Terpenoids,Triterpenoids,Oleanane triterpenoids,Aegiceras corniculatum,519879.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Primulaceae'],['Unknown'],['Aegiceras'],['Aegiceras corniculatum'],4,3,7.794842004776001 164412,7262,-1,,,,0.0,MS1_match,AHBAQZQLKMGGRP-QAUKJAHTSA-N,"InChI=1S/C25H34O6/c1-13(2)16-6-8-18(17-7-5-14(3)19(17)9-16)23(27)31-12-25(29)21(26)10-20-15(4)11-30-24(28)22(20)25/h6,8,13-14,17,19-22,26,29H,4-5,7,9-12H2,1-3H3/t14-,17-,19-,20+,21+,22+,25+/m1/s1",C=C1COC(=O)[C@@H]2[C@H]1C[C@H](O)[C@@]2(O)COC(=O)C1=CC=C(C(C)C)C[C@@H]2[C@H](C)CC[C@H]12,C25H34O6,pos_1_1proton1isopropanol,430.2355388079999,AHBAQZQLKMGGRP,Terpenoids,Diterpenoids,,Nardostachys jatamansi,24101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Nardostachys'],['Nardostachys jatamansi'],6,0,6.0 164404,7260,-1,,,,0.0,MS1_match,RROGHRHLBLVQSG-ZIEWLMKPSA-N,"InChI=1S/C41H66O13/c1-36(2)13-15-41(35(49)50)16-14-39(5)21(22(41)17-36)7-8-26-37(3)11-10-27(38(4,20-43)25(37)9-12-40(26,39)6)53-34-32(28(45)23(44)19-51-34)54-33-31(48)30(47)29(46)24(18-42)52-33/h7,22-34,42-48H,8-20H2,1-6H3,(H,49,50)/t22-,23+,24+,25+,26+,27-,28+,29+,30-,31+,32-,33-,34-,37-,38-,39+,40+,41-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@@H](O)[C@@H](O)[C@@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C41H66O13,pos_1_1proton1ammonium,766.450342172,RROGHRHLBLVQSG,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lonicera nigra,179065.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera nigra'],8,0,8.0 164405,7260,-1,,,,0.0,MS1_match,RROGHRHLBLVQSG-ZIEWLMKPSA-N,"InChI=1S/C41H66O13/c1-36(2)13-15-41(35(49)50)16-14-39(5)21(22(41)17-36)7-8-26-37(3)11-10-27(38(4,20-43)25(37)9-12-40(26,39)6)53-34-32(28(45)23(44)19-51-34)54-33-31(48)30(47)29(46)24(18-42)52-33/h7,22-34,42-48H,8-20H2,1-6H3,(H,49,50)/t22-,23+,24+,25+,26+,27-,28+,29+,30-,31+,32-,33-,34-,37-,38-,39+,40+,41-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@@H](O)[C@@H](O)[C@@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C41H66O13,pos_1_1proton1ammonium,766.450342172,RROGHRHLBLVQSG,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lonicera nigra,179065.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera nigra'],8,0,8.0 164403,7259,211,Terpenoids,Phenylpropanoids (C6-C3),Aristolane sesquiterpenoids,0.0,MS1_match,JUJTUEBXXGRSJB-MTAKFWDWSA-N,"InChI=1S/C17H26O9/c1-3-9-10-4-12(22-2)23-6-8(10)7-24-16(9)26-17-15(21)14(20)13(19)11(5-18)25-17/h3,7,9-21H,1,4-6H2,2H3/t9-,10-,11-,12-,13-,14+,15-,16+,17+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2CO[C@@H](OC)C[C@H]21,C17H26O9,pos_1_1proton1ammonium,374.1576824119999,JUJTUEBXXGRSJB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,1,7.5 164370,7258,-1,,,,0.0,MS1_match,BEGPRDHBWMCZLC-XYLSPBENSA-N,"InChI=1S/C15H24O2/c1-13(2)9-5-7-14(3)10(16)6-8-15(4,17)12(14)11(9)13/h9,11-12,17H,5-8H2,1-4H3/t9?,11?,12?,14-,15+/m1/s1",CC1(C)C2CC[C@]3(C)C(=O)CC[C@](C)(O)C3C21,C15H24O2,pos_2MH,236.177630008,BEGPRDHBWMCZLC,Terpenoids,Sesquiterpenoids,Aromadendrane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 164371,7258,-1,,,,0.0,MS1_match,PGOYMURMZNDHNS-MYPRUECHSA-N,"InChI=1S/C30H48O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O4,pos_1_1proton,472.355260016,PGOYMURMZNDHNS,Terpenoids,Triterpenoids,Oleanane triterpenoids,Dipsacus laciniatus,489131.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Dipsacus'],['Dipsacus laciniatus'],6,0,6.0 164372,7258,-1,,,,0.0,MS1_match,PGOYMURMZNDHNS-MYPRUECHSA-N,"InChI=1S/C30H48O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O4,pos_1_1proton,472.355260016,PGOYMURMZNDHNS,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lomelosia olivieri,5746458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lomelosia'],['Lomelosia olivieri'],6,0,6.0 164373,7258,-1,,,,0.0,MS1_match,PGOYMURMZNDHNS-MYPRUECHSA-N,"InChI=1S/C30H48O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O4,pos_1_1proton,472.355260016,PGOYMURMZNDHNS,Terpenoids,Triterpenoids,Oleanane triterpenoids,Dipsacus inermis,776357.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Dipsacus'],['Dipsacus inermis'],6,0,6.0 164374,7258,-1,,,,0.0,MS1_match,PGOYMURMZNDHNS-MYPRUECHSA-N,"InChI=1S/C30H48O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O4,pos_1_1proton,472.355260016,PGOYMURMZNDHNS,Terpenoids,Triterpenoids,Oleanane triterpenoids,Dipsacus asper,365911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Dipsacus'],['Dipsacus asper'],6,0,6.0 164375,7258,-1,,,,0.0,MS1_match,PGOYMURMZNDHNS-MYPRUECHSA-N,"InChI=1S/C30H48O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O4,pos_1_1proton,472.355260016,PGOYMURMZNDHNS,Terpenoids,Triterpenoids,Oleanane triterpenoids,Cephalaria paphlagonica,977921.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Cephalaria'],['Cephalaria paphlagonica'],6,0,6.0 164376,7258,-1,,,,0.0,MS1_match,PGOYMURMZNDHNS-MYPRUECHSA-N,"InChI=1S/C30H48O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O4,pos_1_1proton,472.355260016,PGOYMURMZNDHNS,Terpenoids,Triterpenoids,Oleanane triterpenoids,Cephalaria nachiczevanica,6061192.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Cephalaria'],['Cephalaria nachiczevanica'],6,0,6.0 164377,7258,-1,,,,0.0,MS1_match,PGOYMURMZNDHNS-MYPRUECHSA-N,"InChI=1S/C30H48O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O4,pos_1_1proton,472.355260016,PGOYMURMZNDHNS,Terpenoids,Triterpenoids,Oleanane triterpenoids,Dipsacus dipsacoides,6061231.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Dipsacus'],['Dipsacus azureus'],6,0,6.0 164378,7258,-1,,,,0.0,MS1_match,PGOYMURMZNDHNS-MYPRUECHSA-N,"InChI=1S/C30H48O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O4,pos_1_1proton,472.355260016,PGOYMURMZNDHNS,Terpenoids,Triterpenoids,Oleanane triterpenoids,Dipsacus azureus,6061231.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Dipsacus'],['Dipsacus azureus'],6,0,6.0 164379,7258,-1,,,,0.0,MS1_match,PGOYMURMZNDHNS-NQDNWIIDSA-N,"InChI=1S/C30H48O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21-,22-,23-,26+,27-,28-,29-,30-/m1/s1",CC1(C)CC[C@@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@H]2C1,C30H48O4,pos_1_1proton,472.355260016,PGOYMURMZNDHNS,Terpenoids,Triterpenoids,Oleanane triterpenoids,Cephalaria transsylvanica,3892197.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Cephalaria'],['Cephalaria transsylvanica'],6,0,6.0 164380,7258,-1,,,,0.0,MS1_match,PGOYMURMZNDHNS-MYPRUECHSA-N,"InChI=1S/C30H48O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O4,pos_1_1proton,472.355260016,PGOYMURMZNDHNS,Terpenoids,Triterpenoids,Oleanane triterpenoids,Dipsacus laciniatus,489131.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Dipsacus'],['Dipsacus laciniatus'],6,0,6.0 164381,7258,-1,,,,0.0,MS1_match,PGOYMURMZNDHNS-MYPRUECHSA-N,"InChI=1S/C30H48O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O4,pos_1_1proton,472.355260016,PGOYMURMZNDHNS,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lomelosia olivieri,5746458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lomelosia'],['Lomelosia olivieri'],6,0,6.0 164382,7258,-1,,,,0.0,MS1_match,PGOYMURMZNDHNS-MYPRUECHSA-N,"InChI=1S/C30H48O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O4,pos_1_1proton,472.355260016,PGOYMURMZNDHNS,Terpenoids,Triterpenoids,Oleanane triterpenoids,Dipsacus inermis,776357.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Dipsacus'],['Dipsacus inermis'],6,0,6.0 164383,7258,-1,,,,0.0,MS1_match,PGOYMURMZNDHNS-MYPRUECHSA-N,"InChI=1S/C30H48O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O4,pos_1_1proton,472.355260016,PGOYMURMZNDHNS,Terpenoids,Triterpenoids,Oleanane triterpenoids,Dipsacus asper,365911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Dipsacus'],['Dipsacus asper'],6,0,6.0 164384,7258,-1,,,,0.0,MS1_match,PGOYMURMZNDHNS-MYPRUECHSA-N,"InChI=1S/C30H48O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O4,pos_1_1proton,472.355260016,PGOYMURMZNDHNS,Terpenoids,Triterpenoids,Oleanane triterpenoids,Cephalaria paphlagonica,977921.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Cephalaria'],['Cephalaria paphlagonica'],6,0,6.0 164385,7258,-1,,,,0.0,MS1_match,NZCULBURCGAPSF-PQWKYGPVSA-N,"InChI=1S/C30H48O4/c1-18-9-14-30(25(33)34)16-15-28(5)20(24(30)19(18)2)7-8-22-26(3)12-11-23(32)27(4,17-31)21(26)10-13-29(22,28)6/h7,18-19,21-24,31-32H,8-17H2,1-6H3,(H,33,34)/t18-,19+,21-,22-,23+,24+,26+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_1_1proton,472.3552600159999,NZCULBURCGAPSF,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Valeriana laxiflora,844983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana laxiflora'],6,0,6.0 164386,7258,-1,,,,0.0,MS1_match,PGOYMURMZNDHNS-MYPRUECHSA-N,"InChI=1S/C30H48O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O4,pos_1_1proton,472.355260016,PGOYMURMZNDHNS,Terpenoids,Triterpenoids,Oleanane triterpenoids,Cephalaria nachiczevanica,6061192.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Cephalaria'],['Cephalaria nachiczevanica'],6,0,6.0 164387,7258,-1,,,,0.0,MS1_match,PGOYMURMZNDHNS-MYPRUECHSA-N,"InChI=1S/C30H48O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O4,pos_1_1proton,472.355260016,PGOYMURMZNDHNS,Terpenoids,Triterpenoids,Oleanane triterpenoids,Dipsacus azureus,6061231.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Dipsacus'],['Dipsacus azureus'],6,0,6.0 164388,7258,-1,,,,0.0,MS1_match,PGOYMURMZNDHNS-NQDNWIIDSA-N,"InChI=1S/C30H48O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21-,22-,23-,26+,27-,28-,29-,30-/m1/s1",CC1(C)CC[C@@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@H]2C1,C30H48O4,pos_1_1proton,472.355260016,PGOYMURMZNDHNS,Terpenoids,Triterpenoids,Oleanane triterpenoids,Cephalaria transsylvanica,3892197.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Cephalaria'],['Cephalaria transsylvanica'],6,0,6.0 164389,7258,-1,,,,0.0,MS1_match,HFGSQOYIOKBQOW-UHFFFAOYSA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)",CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC43C)C2C1C,C30H48O4,pos_1_1proton,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Weigela subsessilis,82213.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Weigela'],['Weigela subsessilis'],6,0,6.0 164390,7258,-1,,,,0.0,MS1_match,HFGSQOYIOKBQOW-ZSDYHTTISA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_1_1proton,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Symphoricarpos albus,717590.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Symphoricarpos'],['Symphoricarpos albus'],6,0,6.0 164391,7258,-1,,,,0.0,MS1_match,HFGSQOYIOKBQOW-UHFFFAOYSA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)",CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC43C)C2C1C,C30H48O4,pos_1_1proton,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Weigela subsessilis,82213.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Weigela'],['Weigela subsessilis'],6,0,6.0 164392,7258,-1,,,,0.0,MS1_match,HFGSQOYIOKBQOW-ZSDYHTTISA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_1_1proton,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Symphoricarpos albus,717590.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Symphoricarpos'],['Symphoricarpos albus'],6,0,6.0 164393,7258,-1,,,,0.0,MS1_match,ZZTYPLSBNNGEIS-OPAXANQDSA-N,"InChI=1S/C30H48O4/c1-18-10-15-30(24(32)33)17-16-27(5)19(23(30)29(18,7)34)8-9-21-26(4)13-12-22(31)25(2,3)20(26)11-14-28(21,27)6/h8,18,20-23,31,34H,9-17H2,1-7H3,(H,32,33)/t18-,20+,21-,22+,23-,26+,27-,28-,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H48O4,pos_1_1proton,472.355260016,ZZTYPLSBNNGEIS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Weigela subsessilis,82213.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Weigela'],['Weigela subsessilis'],6,0,6.0 164394,7258,-1,,,,0.0,MS1_match,ZZTYPLSBNNGEIS-OPAXANQDSA-N,"InChI=1S/C30H48O4/c1-18-10-15-30(24(32)33)17-16-27(5)19(23(30)29(18,7)34)8-9-21-26(4)13-12-22(31)25(2,3)20(26)11-14-28(21,27)6/h8,18,20-23,31,34H,9-17H2,1-7H3,(H,32,33)/t18-,20+,21-,22+,23-,26+,27-,28-,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H48O4,pos_1_1proton,472.355260016,ZZTYPLSBNNGEIS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Weigela subsessilis,82213.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Weigela'],['Weigela subsessilis'],6,0,6.0 164395,7258,-1,,,,0.0,MS1_match,ZZTYPLSBNNGEIS-OPAXANQDSA-N,"InChI=1S/C30H48O4/c1-18-10-15-30(24(32)33)17-16-27(5)19(23(30)29(18,7)34)8-9-21-26(4)13-12-22(31)25(2,3)20(26)11-14-28(21,27)6/h8,18,20-23,31,34H,9-17H2,1-7H3,(H,32,33)/t18-,20+,21-,22+,23-,26+,27-,28-,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H48O4,pos_1_1proton,472.355260016,ZZTYPLSBNNGEIS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Weigela subsessilis,82213.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Weigela'],['Weigela subsessilis'],6,0,6.0 164396,7258,-1,,,,0.0,MS1_match,XLZVKKAUANEKGL-UQXKVLDMSA-N,"InChI=1S/C15H24O2/c1-9-5-6-15(17)13(2,3)11-7-10(9)14(15,4)8-12(11)16/h9-11,17H,5-8H2,1-4H3/t9-,10-,11-,14-,15+/m0/s1",C[C@H]1CC[C@@]2(O)C(C)(C)[C@H]3C[C@@H]1[C@]2(C)CC3=O,C15H24O2,pos_2MH,236.177630008,XLZVKKAUANEKGL,Terpenoids,Sesquiterpenoids,Patchoulane sesquiterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,0,6.0 164397,7258,-1,,,,0.0,MS1_match,TVGPYTOYKLZBPA-UHFFFAOYSA-N,"InChI=1S/C15H24O2/c1-10(2)7-14(16)17-9-11-5-6-12-8-13(11)15(12,3)4/h5,10,12-13H,6-9H2,1-4H3",CC(C)CC(=O)OCC1=CCC2CC1C2(C)C,C15H24O2,pos_2MH,236.177630008,TVGPYTOYKLZBPA,Terpenoids,Monoterpenoids,Pinane monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 164398,7258,-1,,,,0.0,MS1_match,DHOMMAYDBREASS-MRLBHPIUSA-N,"InChI=1S/C15H24O2/c1-9(2)15-8-5-10(3)11-6-7-14(4,16)12(11)13(15)17-15/h9,11-13,16H,3,5-8H2,1-2,4H3/t11-,12-,13+,14+,15+/m1/s1",C=C1CC[C@@]2(C(C)C)O[C@H]2[C@H]2[C@@H]1CC[C@]2(C)O,C15H24O2,pos_2MH,236.177630008,DHOMMAYDBREASS,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 164399,7258,-1,,,,0.0,MS1_match,ZJIVEFDADFTLMI-ULWTYWRYSA-N,"InChI=1S/C15H24O2/c1-8-5-9(16)6-10-12(17)7-11-13(14(11,2)3)15(8,10)4/h6,8-9,11-13,16-17H,5,7H2,1-4H3/t8-,9-,11-,12+,13+,15+/m1/s1",C[C@@H]1C[C@@H](O)C=C2[C@@H](O)C[C@@H]3[C@@H](C3(C)C)[C@]21C,C15H24O2,pos_2MH,236.177630008,ZJIVEFDADFTLMI,Terpenoids,Sesquiterpenoids,Aristolane sesquiterpenoids,Nardostachys jatamansi,24101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Nardostachys'],['Nardostachys jatamansi'],6,0,6.0 164400,7258,-1,,,,0.0,MS1_match,BEGPRDHBWMCZLC-XYLSPBENSA-N,"InChI=1S/C15H24O2/c1-13(2)9-5-7-14(3)10(16)6-8-15(4,17)12(14)11(9)13/h9,11-12,17H,5-8H2,1-4H3/t9?,11?,12?,14-,15+/m1/s1",CC1(C)C2CC[C@]3(C)C(=O)CC[C@](C)(O)C3C21,C15H24O2,pos_2MH,236.177630008,BEGPRDHBWMCZLC,Terpenoids,Sesquiterpenoids,Aromadendrane sesquiterpenoids,Valeriana fauriei,228778.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana fauriei'],6,0,6.0 164401,7258,-1,,,,0.0,MS1_match,PGOYMURMZNDHNS-MYPRUECHSA-N,"InChI=1S/C30H48O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O4,pos_1_1proton,472.355260016,PGOYMURMZNDHNS,Terpenoids,Triterpenoids,Oleanane triterpenoids,Dipsacus dipsacoides,6061231.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Dipsacus'],['Dipsacus azureus'],6,0,6.0 164402,7258,-1,,,,0.0,MS1_match,NZCULBURCGAPSF-PQWKYGPVSA-N,"InChI=1S/C30H48O4/c1-18-9-14-30(25(33)34)16-15-28(5)20(24(30)19(18)2)7-8-22-26(3)12-11-23(32)27(4,17-31)21(26)10-13-29(22,28)6/h7,18-19,21-24,31-32H,8-17H2,1-6H3,(H,33,34)/t18-,19+,21-,22-,23+,24+,26+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_1_1proton,472.3552600159999,NZCULBURCGAPSF,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Valeriana laxiflora,844983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana laxiflora'],6,0,6.0 164359,7257,-1,,,,0.34518754,ISDB,XDLKVPLICUIRQM-UZMFJTJZSA-N,"InChI=1S/C34H46O9/c1-9-17(2)31(37)43-25-14-24(41-19(4)35)32(5)16-40-28-29(32)33(25,6)23-13-26(38-8)42-22-12-21(20-10-11-39-15-20)18(3)27(22)34(23,7)30(28)36/h9-11,15,21-26,28-30,36H,12-14,16H2,1-8H3/b17-9+/t21-,22+,23-,24-,25+,26-,28-,29+,30-,32-,33+,34-/m1/s1",C/C=C(\C)C(=O)O[C@H]1C[C@@H](OC(C)=O)[C@@]2(C)CO[C@H]3[C@@H](O)[C@@]4(C)C5=C(C)[C@H](c6ccoc6)C[C@@H]5O[C@@H](OC)C[C@@H]4[C@]1(C)[C@@H]32,C34H46O9,,598.314183052,XDLKVPLICUIRQM,Terpenoids,Triterpenoids,Limonoids,Melia azedarach,916052.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Melia'],['Melia azedarach'],4,0,5.3807501792907715 164360,7257,-1,,,,0.34518754,ISDB,XDLKVPLICUIRQM-PHHWVVQSSA-N,"InChI=1S/C34H46O9/c1-9-17(2)31(37)43-25-14-24(41-19(4)35)32(5)16-40-28-29(32)33(25,6)23-13-26(38-8)42-22-12-21(20-10-11-39-15-20)18(3)27(22)34(23,7)30(28)36/h9-11,15,21-26,28-30,36H,12-14,16H2,1-8H3/b17-9+/t21-,22-,23-,24-,25+,26-,28-,29+,30-,32-,33+,34-/m1/s1",C/C=C(\C)C(=O)O[C@H]1C[C@@H](OC(C)=O)[C@@]2(C)CO[C@H]3[C@@H](O)[C@@]4(C)C5=C(C)[C@H](c6ccoc6)C[C@H]5O[C@@H](OC)C[C@@H]4[C@]1(C)[C@@H]32,C34H46O9,,598.314183052,XDLKVPLICUIRQM,Terpenoids,Triterpenoids,Limonoids,Munronia pinnata,430634.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Munronia'],['Munronia pinnata'],4,0,5.3807501792907715 163660,7256,94,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.7665998,ISDB,HXQHFNIKBKZGRP-UHFFFAOYSA-N,"InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10,13-14H,2-5,8,11-12,15-17H2,1H3,(H,19,20)",CCCCCC=CCC=CCCC=CCCCC(=O)O,C18H30O2,,278.2245802,HXQHFNIKBKZGRP,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Teucrium cubense,3882648.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Teucrium'],['Teucrium cubense'],4,3,8.566399097442627 163661,7256,94,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.7665998,ISDB,HXQHFNIKBKZGRP-UHFFFAOYSA-N,"InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10,13-14H,2-5,8,11-12,15-17H2,1H3,(H,19,20)",CCCCCC=CCC=CCCC=CCCCC(=O)O,C18H30O2,,278.2245802,HXQHFNIKBKZGRP,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Teucrium depressum,3882648.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Teucrium'],['Teucrium cubense'],4,3,8.566399097442627 163651,7255,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.31757063,ISDB,JSXCGBWUPLORSN-UHFFFAOYSA-N,"InChI=1S/C35H54O7/c1-19-25-20-8-9-23-31(4)12-11-24(41-28-27(38)26(37)21(36)18-40-28)30(2,3)22(31)10-13-33(23,6)32(20,5)14-16-35(25)17-15-34(19,7)42-29(35)39/h8,19,21-28,36-38H,9-18H2,1-7H3",CC1C2C3=CCC4C5(C)CCC(OC6OCC(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)CCC23CCC1(C)OC3=O,C35H54O7,,586.3869540679999,JSXCGBWUPLORSN,Terpenoids,Triterpenoids,Oleanane triterpenoids,Rosa laevigata,383273.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa laevigata'],4,3,6.770282506942749 163634,7253,25,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,OHJWWOZXCKEOGK-LZIBPDADSA-N,"InChI=1S/C47H76O16/c1-22-30(50)36(62-38-34(54)33(53)32(52)26(20-48)60-38)35(55)39(59-22)63-37-31(51)25(49)21-58-40(37)61-29-12-13-44(6)27(43(29,4)5)11-14-46(8)28(44)10-9-23-24-19-42(2,3)15-17-47(24,41(56)57)18-16-45(23,46)7/h9,22,24-40,48-55H,10-21H2,1-8H3,(H,56,57)/t22-,24-,25-,26+,27-,28+,29-,30-,31-,32+,33-,34+,35+,36+,37+,38-,39-,40-,44-,45+,46+,47+/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@]4(C)[C@H]5CC=C6[C@@H]7CC(C)(C)CC[C@@]7(C(=O)O)CC[C@@]6(C)[C@]5(C)CC[C@H]4C3(C)C)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C47H76O16,pos_1_1proton1ammonium,896.513336352,OHJWWOZXCKEOGK,Terpenoids,Triterpenoids,Oleanane triterpenoids,Pulsatilla chinensis,34150.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Pulsatilla'],['Pulsatilla chinensis'],7,1,7.5 163635,7253,25,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,OHJWWOZXCKEOGK-YDOLDEOXSA-N,"InChI=1S/C47H76O16/c1-22-30(50)36(62-38-34(54)33(53)32(52)26(20-48)60-38)35(55)39(59-22)63-37-31(51)25(49)21-58-40(37)61-29-12-13-44(6)27(43(29,4)5)11-14-46(8)28(44)10-9-23-24-19-42(2,3)15-17-47(24,41(56)57)18-16-45(23,46)7/h9,22,24-40,48-55H,10-21H2,1-8H3,(H,56,57)/t22-,24-,25-,26+,27-,28+,29-,30-,31-,32+,33-,34+,35+,36+,37+,38-,39-,40-,44-,45+,46+,47-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@]4(C)[C@H]5CC=C6[C@@H]7CC(C)(C)CC[C@]7(C(=O)O)CC[C@@]6(C)[C@]5(C)CC[C@H]4C3(C)C)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C47H76O16,pos_1_1proton1ammonium,896.5133363520001,OHJWWOZXCKEOGK,Terpenoids,Triterpenoids,Oleanane triterpenoids,Pulsatilla cernua,542352.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Pulsatilla'],['Pulsatilla cernua'],7,1,7.5 163636,7253,25,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,OHJWWOZXCKEOGK-LZIBPDADSA-N,"InChI=1S/C47H76O16/c1-22-30(50)36(62-38-34(54)33(53)32(52)26(20-48)60-38)35(55)39(59-22)63-37-31(51)25(49)21-58-40(37)61-29-12-13-44(6)27(43(29,4)5)11-14-46(8)28(44)10-9-23-24-19-42(2,3)15-17-47(24,41(56)57)18-16-45(23,46)7/h9,22,24-40,48-55H,10-21H2,1-8H3,(H,56,57)/t22-,24-,25-,26+,27-,28+,29-,30-,31-,32+,33-,34+,35+,36+,37+,38-,39-,40-,44-,45+,46+,47+/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@]4(C)[C@H]5CC=C6[C@@H]7CC(C)(C)CC[C@@]7(C(=O)O)CC[C@@]6(C)[C@]5(C)CC[C@H]4C3(C)C)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C47H76O16,pos_1_1proton1ammonium,896.513336352,OHJWWOZXCKEOGK,Terpenoids,Triterpenoids,Oleanane triterpenoids,Pulsatilla chinensis,34150.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Pulsatilla'],['Pulsatilla chinensis'],7,1,7.5 163637,7253,25,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,OHJWWOZXCKEOGK-YDOLDEOXSA-N,"InChI=1S/C47H76O16/c1-22-30(50)36(62-38-34(54)33(53)32(52)26(20-48)60-38)35(55)39(59-22)63-37-31(51)25(49)21-58-40(37)61-29-12-13-44(6)27(43(29,4)5)11-14-46(8)28(44)10-9-23-24-19-42(2,3)15-17-47(24,41(56)57)18-16-45(23,46)7/h9,22,24-40,48-55H,10-21H2,1-8H3,(H,56,57)/t22-,24-,25-,26+,27-,28+,29-,30-,31-,32+,33-,34+,35+,36+,37+,38-,39-,40-,44-,45+,46+,47-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@]4(C)[C@H]5CC=C6[C@@H]7CC(C)(C)CC[C@]7(C(=O)O)CC[C@@]6(C)[C@]5(C)CC[C@H]4C3(C)C)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C47H76O16,pos_1_1proton1ammonium,896.5133363520001,OHJWWOZXCKEOGK,Terpenoids,Triterpenoids,Oleanane triterpenoids,Pulsatilla cernua,542352.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Pulsatilla'],['Pulsatilla cernua'],7,1,7.5 163638,7253,25,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,FYSAXYBPXKLMJO-IFECXJOTSA-N,"InChI=1S/C47H76O16/c1-22-30(49)33(52)35(54)38(59-22)63-37-32(51)26(61-39-36(55)34(53)31(50)25(20-48)60-39)21-58-40(37)62-29-12-13-44(6)27(43(29,4)5)11-14-46(8)28(44)10-9-23-24-19-42(2,3)15-17-47(24,41(56)57)18-16-45(23,46)7/h9,22,24-40,48-55H,10-21H2,1-8H3,(H,56,57)/t22-,24-,25+,26-,27-,28+,29-,30-,31+,32-,33+,34-,35+,36+,37+,38-,39-,40-,44-,45+,46+,47-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@]4(C)[C@H]5CC=C6[C@@H]7CC(C)(C)CC[C@]7(C(=O)O)CC[C@@]6(C)[C@]5(C)CC[C@H]4C3(C)C)OC[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C47H76O16,pos_1_1proton1ammonium,896.5133363520004,FYSAXYBPXKLMJO,Terpenoids,Triterpenoids,Oleanane triterpenoids,Pulsatilla chinensis,34150.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Pulsatilla'],['Pulsatilla chinensis'],7,1,7.5 163639,7253,25,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,FYSAXYBPXKLMJO-IFECXJOTSA-N,"InChI=1S/C47H76O16/c1-22-30(49)33(52)35(54)38(59-22)63-37-32(51)26(61-39-36(55)34(53)31(50)25(20-48)60-39)21-58-40(37)62-29-12-13-44(6)27(43(29,4)5)11-14-46(8)28(44)10-9-23-24-19-42(2,3)15-17-47(24,41(56)57)18-16-45(23,46)7/h9,22,24-40,48-55H,10-21H2,1-8H3,(H,56,57)/t22-,24-,25+,26-,27-,28+,29-,30-,31+,32-,33+,34-,35+,36+,37+,38-,39-,40-,44-,45+,46+,47-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@]4(C)[C@H]5CC=C6[C@@H]7CC(C)(C)CC[C@]7(C(=O)O)CC[C@@]6(C)[C@]5(C)CC[C@H]4C3(C)C)OC[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C47H76O16,pos_1_1proton1ammonium,896.5133363520004,FYSAXYBPXKLMJO,Terpenoids,Triterpenoids,Oleanane triterpenoids,Pulsatilla cernua,542352.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Pulsatilla'],['Pulsatilla cernua'],7,1,7.5 163640,7253,25,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BWNBCQHJURTQKQ-ADNOESIESA-N,"InChI=1S/C47H76O16/c1-22-30(50)32(52)37(63-39-34(54)31(51)25(20-48)59-39)40(58-22)62-36-26(21-49)60-38(35(55)33(36)53)61-29-12-13-44(6)27(43(29,4)5)11-14-46(8)28(44)10-9-23-24-19-42(2,3)15-17-47(24,41(56)57)18-16-45(23,46)7/h9,22,24-40,48-55H,10-21H2,1-8H3,(H,56,57)/t22-,24-,25-,26+,27-,28+,29-,30-,31-,32+,33+,34+,35+,36+,37+,38-,39-,40-,44-,45+,46+,47-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3CC[C@]4(C)[C@H]5CC=C6[C@@H]7CC(C)(C)CC[C@]7(C(=O)O)CC[C@@]6(C)[C@]5(C)CC[C@H]4C3(C)C)O[C@@H]2CO)[C@H](O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O,C47H76O16,pos_1_1proton1ammonium,896.513336352,BWNBCQHJURTQKQ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Anemone multifida,896056.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Anemone'],['Anemone multifida'],7,1,7.5 163641,7253,25,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BWNBCQHJURTQKQ-ADNOESIESA-N,"InChI=1S/C47H76O16/c1-22-30(50)32(52)37(63-39-34(54)31(51)25(20-48)59-39)40(58-22)62-36-26(21-49)60-38(35(55)33(36)53)61-29-12-13-44(6)27(43(29,4)5)11-14-46(8)28(44)10-9-23-24-19-42(2,3)15-17-47(24,41(56)57)18-16-45(23,46)7/h9,22,24-40,48-55H,10-21H2,1-8H3,(H,56,57)/t22-,24-,25-,26+,27-,28+,29-,30-,31-,32+,33+,34+,35+,36+,37+,38-,39-,40-,44-,45+,46+,47-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3CC[C@]4(C)[C@H]5CC=C6[C@@H]7CC(C)(C)CC[C@]7(C(=O)O)CC[C@@]6(C)[C@]5(C)CC[C@H]4C3(C)C)O[C@@H]2CO)[C@H](O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O,C47H76O16,pos_1_1proton1ammonium,896.513336352,BWNBCQHJURTQKQ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Anemone narcissiflora,896053.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Anemone'],['Anemone narcissiflora'],7,1,7.5 163642,7253,25,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BWNBCQHJURTQKQ-ADNOESIESA-N,"InChI=1S/C47H76O16/c1-22-30(50)32(52)37(63-39-34(54)31(51)25(20-48)59-39)40(58-22)62-36-26(21-49)60-38(35(55)33(36)53)61-29-12-13-44(6)27(43(29,4)5)11-14-46(8)28(44)10-9-23-24-19-42(2,3)15-17-47(24,41(56)57)18-16-45(23,46)7/h9,22,24-40,48-55H,10-21H2,1-8H3,(H,56,57)/t22-,24-,25-,26+,27-,28+,29-,30-,31-,32+,33+,34+,35+,36+,37+,38-,39-,40-,44-,45+,46+,47-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3CC[C@]4(C)[C@H]5CC=C6[C@@H]7CC(C)(C)CC[C@]7(C(=O)O)CC[C@@]6(C)[C@]5(C)CC[C@H]4C3(C)C)O[C@@H]2CO)[C@H](O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O,C47H76O16,pos_1_1proton1ammonium,896.513336352,BWNBCQHJURTQKQ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Anemonastrum narcissiflorum,896053.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Anemone'],['Anemone narcissiflora'],7,1,7.5 163643,7253,25,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,ACFQHDXOOYLTCN-JPPKDPIWSA-N,"InChI=1S/C47H76O16/c1-21(2)23-11-16-47(42(56)57)18-17-45(7)24(30(23)47)9-10-28-44(6)14-13-29(43(4,5)27(44)12-15-46(28,45)8)61-41-38(32(51)25(49)20-58-41)63-40-36(55)37(31(50)22(3)59-40)62-39-35(54)34(53)33(52)26(19-48)60-39/h22-41,48-55H,1,9-20H2,2-8H3,(H,56,57)/t22-,23-,24+,25-,26+,27-,28+,29-,30+,31-,32-,33+,34-,35+,36+,37+,38+,39-,40-,41-,44-,45+,46+,47-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C47H76O16,pos_1_1proton1ammonium,896.5133363520001,ACFQHDXOOYLTCN,Terpenoids,Triterpenoids,Lupane triterpenoids,Pulsatilla cernua,542352.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Pulsatilla'],['Pulsatilla cernua'],7,1,7.5 163644,7253,25,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,WOOPUJXMROOOPP-KSYIBZFCSA-N,"InChI=1S/C47H76O16/c1-21(2)23-11-16-47(42(56)57)18-17-45(7)24(30(23)47)9-10-28-44(6)14-13-29(43(4,5)27(44)12-15-46(28,45)8)62-41-38(63-39-36(54)34(52)31(49)22(3)59-39)33(51)26(20-58-41)61-40-37(55)35(53)32(50)25(19-48)60-40/h22-41,48-55H,1,9-20H2,2-8H3,(H,56,57)/t22-,23-,24+,25+,26-,27-,28+,29-,30+,31-,32+,33-,34+,35-,36+,37+,38+,39-,40-,41-,44-,45+,46+,47-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C47H76O16,pos_1_1proton1ammonium,896.5133363520004,WOOPUJXMROOOPP,Terpenoids,Triterpenoids,Lupane triterpenoids,Pulsatilla cernua,542352.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Pulsatilla'],['Pulsatilla cernua'],7,1,7.5 163633,7252,-1,,,,0.26445705,ISDB,,,,,,,ZBPHOPAOHAJOMC,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.0578281879425049 163632,7251,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.21363524,ISDB,RYRBXTWVSOVEQI-XKDJXWPVSA-N,"InChI=1S/C55H88O24/c1-22(2)24-11-16-55(50(70)79-48-41(66)36(61)34(59)28(75-48)21-72-46-43(68)38(63)44(26(19-56)73-46)77-49-42(67)37(62)39(64)45(69)78-49)18-17-53(7)25(32(24)55)9-10-30-52(6)14-13-31(51(4,5)29(52)12-15-54(30,53)8)76-47-40(65)35(60)33(58)27(74-47)20-71-23(3)57/h24-49,56,58-69H,1,9-21H2,2-8H3/t24-,25+,26+,27+,28+,29-,30+,31-,32+,33+,34+,35-,36-,37+,38+,39+,40+,41+,42+,43+,44+,45+,46+,47-,48-,49+,52-,53+,54+,55-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@@H](O)[C@H](O)[C@@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C55H88O24,,1132.5665536960005,RYRBXTWVSOVEQI,Terpenoids,Triterpenoids,Lupane triterpenoids,Schefflera actinophylla,1064021.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Schefflera'],['Schefflera actinophylla'],4,2,5.854540944099426 163631,7248,-1,,,,0.0,MS1_match,XXZPXRQPWFAXCK-WQFMGJDKSA-N,"InChI=1S/C17H26O5/c1-10(2)7-15(19)22-17-16-11(3)5-6-14(16)13(9-21-17)8-20-12(4)18/h9-11,14,16-17H,5-8H2,1-4H3/t11-,14+,16+,17-/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2[C@@H]1CC[C@@H]2C,C17H26O5,pos_2MNa,310.178023932,XXZPXRQPWFAXCK,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 163630,7243,538,Fatty acids,Fatty acyls,Hydrocarbons,0.20516825,ISDB,,,,,,,FUOXNICVOQDEMR,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.8206729888916016 163625,7239,-1,,,,0.0,MS1_match,SGNBVLSWZMBQTH-PODYLUTMSA-N,"InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24-,25+,26+,27+,28-/m1/s1",CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C28H48O,pos_1_1sodium1acetonitrile,400.370516156,SGNBVLSWZMBQTH,Terpenoids,Steroids,Cholestane steroids,Symphoricarpos albus,717590.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Symphoricarpos'],['Symphoricarpos albus'],6,0,6.0 163626,7239,-1,,,,0.0,MS1_match,SGNBVLSWZMBQTH-AUZDMFNXSA-N,"InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20+,22?,23-,24+,25-,26-,27-,28+/m0/s1",CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4CC(O)CC[C@]4(C)[C@H]3CC[C@]12C,C28H48O,pos_1_1sodium1acetonitrile,400.370516156,SGNBVLSWZMBQTH,Terpenoids,Steroids,Cholestane steroids,Patrinia villosa,971855.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia villosa'],6,0,6.0 163627,7239,-1,,,,0.0,MS1_match,SGNBVLSWZMBQTH-PODYLUTMSA-N,"InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24-,25+,26+,27+,28-/m1/s1",CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C28H48O,pos_1_1sodium1acetonitrile,400.370516156,SGNBVLSWZMBQTH,Terpenoids,Steroids,Cholestane steroids,Symphoricarpos albus,717590.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Symphoricarpos'],['Symphoricarpos albus'],6,0,6.0 163628,7239,-1,,,,0.0,MS1_match,SGNBVLSWZMBQTH-AUZDMFNXSA-N,"InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20+,22?,23-,24+,25-,26-,27-,28+/m0/s1",CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4CC(O)CC[C@]4(C)[C@H]3CC[C@]12C,C28H48O,pos_1_1sodium1acetonitrile,400.370516156,SGNBVLSWZMBQTH,Terpenoids,Steroids,Cholestane steroids,Patrinia villosa,971855.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia villosa'],6,0,6.0 163629,7239,-1,,,,0.0,MS1_match,LMYZQUNLYGJIHI-SPONXPENSA-N,"InChI=1S/C28H48O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h10,18-20,22-26,29H,7-9,11-17H2,1-6H3/t19-,20+,22-,23+,24+,25+,26+,27-,28+/m1/s1",CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C28H48O,pos_1_1sodium1acetonitrile,400.3705161559999,LMYZQUNLYGJIHI,Terpenoids,Steroids,Cholestane steroids,Symphoricarpos albus,717590.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Symphoricarpos'],['Symphoricarpos albus'],6,0,6.0 163620,7238,1472,Fatty acids,Glycerolipids,Apocarotenoids (Ψ-),0.21471812,ISDB,ZXEPHOYZDSLBJV-UHFFFAOYSA-N,"InChI=1S/C32H42O/c1-27(2)15-10-18-30(5)21-13-23-31(6)22-11-19-28(3)16-8-9-17-29(4)20-12-24-32(7)25-14-26-33/h8-9,11-17,19-26H,10,18H2,1-7H3",CC(C)=CCCC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=O,C32H42O,,442.323565964,ZXEPHOYZDSLBJV,Terpenoids,Apocarotenoids,Apocarotenoids (Ψ-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],4,3,6.358872473239899 163619,7237,272,,,,0.2830836,ISDB,,,,,,,QRRBJZIHSLBXNV,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.1323343515396118 163560,7236,173,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.7217392,ISDB,AWEDGODDRTXSDL-APACUCGBSA-N,"InChI=1S/C16H26O7/c1-8-5-4-6-16(2,3)10(8)14(21)23-15-13(20)12(19)11(18)9(7-17)22-15/h9,11-13,15,17-20H,4-7H2,1-3H3/t9-,11-,12+,13-,15+/m1/s1",CC1=C(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)CCC1,C16H26O7,,330.167853172,AWEDGODDRTXSDL,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Gardenia jasminoides,919367.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Gardenieae'],['Gardenia'],['Gardenia jasminoides'],4,2,7.886956691741943 163558,7233,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.30036274,ISDB,,,,,,,WPRKWPORZTWCSR,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.2014509439468384 163556,7230,-1,,,,0.0,MS1_match,DYFUVQSGLMQLRX-ALBXZGMBSA-N,"InChI=1S/C36H56O10/c1-31(2)13-15-36(30(43)44)16-14-34(5)19(20(36)17-31)7-8-22-32(3)11-10-23(33(4,18-37)21(32)9-12-35(22,34)6)45-29-26(40)24(38)25(39)27(46-29)28(41)42/h7,20-27,29,37-40H,8-18H2,1-6H3,(H,41,42)(H,43,44)/t20-,21+,22+,23-,24-,25-,26+,27-,29+,32-,33-,34+,35+,36-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C36H56O10,pos_1_sodium,648.387347992,DYFUVQSGLMQLRX,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lonicera nigra,179065.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera nigra'],7,0,7.0 163557,7230,-1,,,,0.0,MS1_match,DYFUVQSGLMQLRX-ALBXZGMBSA-N,"InChI=1S/C36H56O10/c1-31(2)13-15-36(30(43)44)16-14-34(5)19(20(36)17-31)7-8-22-32(3)11-10-23(33(4,18-37)21(32)9-12-35(22,34)6)45-29-26(40)24(38)25(39)27(46-29)28(41)42/h7,20-27,29,37-40H,8-18H2,1-6H3,(H,41,42)(H,43,44)/t20-,21+,22+,23-,24-,25-,26+,27-,29+,32-,33-,34+,35+,36-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C36H56O10,pos_1_sodium,648.387347992,DYFUVQSGLMQLRX,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lonicera nigra,179065.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera nigra'],7,0,7.0 163547,7228,398,Terpenoids,Steroids,Spirostane steroids,0.55720997,ISDB,ICEAAFSBLFFHMH-USZBQAPISA-N,"InChI=1S/C35H56O12/c1-16-6-9-35(43-15-16)17(2)27-22(47-35)11-21-19-10-26(38)34(42)13-24(44-18(3)37)23(12-33(34,5)20(19)7-8-32(21,27)4)45-31-30(41)29(40)28(39)25(14-36)46-31/h16-17,19-31,36,38-42H,6-15H2,1-5H3/t16-,17+,19-,20+,21+,22+,23-,24-,25-,26-,27+,28-,29+,30-,31-,32+,33-,34+,35-/m1/s1",CC(=O)O[C@@H]1C[C@]2(O)[C@H](O)C[C@H]3[C@@H]4C[C@@H]5O[C@]6(CC[C@@H](C)CO6)[C@@H](C)[C@@H]5[C@@]4(C)CC[C@@H]3[C@@]2(C)C[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C35H56O12,,668.377177232,ICEAAFSBLFFHMH,Terpenoids,Steroids,Spirostane steroids,Allium giganteum,416484.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Allieae'],['Allium'],['Allium giganteum'],4,3,7.728839874267578 163548,7228,398,Terpenoids,Steroids,Spirostane steroids,0.55720997,ISDB,ICEAAFSBLFFHMH-USZBQAPISA-N,"InChI=1S/C35H56O12/c1-16-6-9-35(43-15-16)17(2)27-22(47-35)11-21-19-10-26(38)34(42)13-24(44-18(3)37)23(12-33(34,5)20(19)7-8-32(21,27)4)45-31-30(41)29(40)28(39)25(14-36)46-31/h16-17,19-31,36,38-42H,6-15H2,1-5H3/t16-,17+,19-,20+,21+,22+,23-,24-,25-,26-,27+,28-,29+,30-,31-,32+,33-,34+,35-/m1/s1",CC(=O)O[C@@H]1C[C@]2(O)[C@H](O)C[C@H]3[C@@H]4C[C@@H]5O[C@]6(CC[C@@H](C)CO6)[C@@H](C)[C@@H]5[C@@]4(C)CC[C@@H]3[C@@]2(C)C[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C35H56O12,,668.377177232,ICEAAFSBLFFHMH,Terpenoids,Steroids,Spirostane steroids,Allium karataviense,942185.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Allieae'],['Allium'],['Allium karataviense'],4,3,7.728839874267578 163540,7225,1472,Fatty acids,Glycerolipids,Apocarotenoids (Ψ-),0.26188928,ISDB,,,,,,,KBERLNPFENTXOE,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.0475571155548096 163539,7223,58,Polyketides,Glycerolipids,Glycosyldiacylglycerols,0.58026403,ISDB,SAHCQBPGXQFTRA-UHFFFAOYSA-N,"InChI=1S/C27H49O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(29)37-18-20(28)19-38-40(35,36)39-27-25(33)23(31)22(30)24(32)26(27)34/h6-7,9-10,20,22-28,30-34H,2-5,8,11-19H2,1H3,(H,35,36)",CCCCCC=CCC=CCCCCCCCC(=O)OCC(O)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O,C27H49O12P,,596.2961636379998,SAHCQBPGXQFTRA,Fatty acids,Glycerophospholipids,Glycerophosphoinositols,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],4,0,6.321056127548218 163532,7221,238,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,HPJJCRNQEWRFQW-ILXVDBEPSA-N,"InChI=1S/C18H22O9/c1-2-26-17(24)18(25)8-13(21)16(14(22)9-18)27-15(23)6-4-10-3-5-11(19)12(20)7-10/h3-7,13-14,16,19-22,25H,2,8-9H2,1H3/t13-,14-,16-,18+/m0/s1",CCOC(=O)[C@]1(O)C[C@H](O)[C@@H](OC(=O)C=Cc2ccc(O)c(O)c2)[C@@H](O)C1,C18H22O9,pos_1_sodium,382.126382284,HPJJCRNQEWRFQW,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera bournei,5746380.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera bournei'],7,3,8.5 163533,7221,238,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CPYDMLXRLHYXSV-UNKAVFLYSA-N,"InChI=1S/C18H22O9/c1-25-13-7-10(3-5-11(13)19)4-6-15(21)27-14-9-18(24,17(23)26-2)8-12(20)16(14)22/h3-7,12,14,16,19-20,22,24H,8-9H2,1-2H3/b6-4+/t12-,14-,16-,18+/m0/s1",COC(=O)[C@]1(O)C[C@H](OC(=O)/C=C/c2ccc(O)c(OC)c2)[C@@H](O)[C@@H](O)C1,C18H22O9,pos_1_sodium,382.126382284,CPYDMLXRLHYXSV,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera bournei,5746380.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera bournei'],7,3,8.5 163534,7221,238,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,LEUHYTKFUDEERH-NBJMIBJLSA-N,"InChI=1S/C18H22O9/c1-2-26-17(24)18(25)8-13(21)16(23)14(9-18)27-15(22)6-4-10-3-5-11(19)12(20)7-10/h3-7,13-14,16,19-21,23,25H,2,8-9H2,1H3/b6-4+/t13-,14-,16-,18+/m0/s1",CCOC(=O)[C@]1(O)C[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](O)[C@@H](O)C1,C18H22O9,pos_1_sodium,382.126382284,LEUHYTKFUDEERH,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera bournei,5746380.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera bournei'],7,3,8.5 163535,7221,238,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,LEUHYTKFUDEERH-NBJMIBJLSA-N,"InChI=1S/C18H22O9/c1-2-26-17(24)18(25)8-13(21)16(23)14(9-18)27-15(22)6-4-10-3-5-11(19)12(20)7-10/h3-7,13-14,16,19-21,23,25H,2,8-9H2,1H3/b6-4+/t13-,14-,16-,18+/m0/s1",CCOC(=O)[C@]1(O)C[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](O)[C@@H](O)C1,C18H22O9,pos_1_sodium,382.126382284,LEUHYTKFUDEERH,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera bournei,5746380.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera bournei'],7,3,8.5 163531,7218,601,Terpenoids,Steroids,Polyprenylated cyclic polyketides (Hop meroterpenoids),0.2049054,ISDB,QJPFBEKUNZRFKX-JJBABQCSSA-N,"InChI=1S/C38H50O5/c1-23(2)14-16-28(26(7)8)21-37-22-29(17-15-24(3)4)36(9,10)38(35(37)43,19-18-25(5)6)34(42)31(33(37)41)32(40)27-12-11-13-30(39)20-27/h11-14,20,28-29,39-40H,3,5,7,15-19,21-22H2,1-2,4,6,8-10H3/t28-,29+,37+,38-/m0/s1",C=C(C)CC[C@@H]1C[C@]2(C[C@H](CC=C(C)C)C(=C)C)C(=O)C(=C(O)c3cccc(O)c3)C(=O)[C@@](CCC(=C)C)(C2=O)C1(C)C,C38H50O5,,586.3658247,QJPFBEKUNZRFKX,Polyketides,Meroterpenoids,Polyprenylated cyclic polyketides (Hop meroterpenoids),Moronobea coccinea,373208.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Clusiaceae'],['Symphonieae'],['Moronobea'],['Moronobea coccinea'],4,3,6.3196216225624084 163520,7217,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.24192819,ISDB,UAUUFLADFXKYAU-UHFFFAOYSA-N,"InChI=1S/C36H58O8/c1-20-27(40)28(41)29(42)30(43-20)44-26-11-12-32(4)23(33(26,5)18-37)10-13-34(6)24(32)9-8-21-22-16-31(2,3)14-15-36(22,19-38)25(39)17-35(21,34)7/h8-9,20,23-30,37-42H,10-19H2,1-7H3",CC1OC(OC2CCC3(C)C(CCC4(C)C3C=CC3=C5CC(C)(C)CCC5(CO)C(O)CC34C)C2(C)CO)C(O)C(O)C1O,C36H58O8,,618.413168816,UAUUFLADFXKYAU,Terpenoids,Triterpenoids,Oleanane triterpenoids,Bupleurum smithii var. parvifolium,657161.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Bupleureae'],['Bupleurum'],['Bupleurum smithii'],4,3,6.467712759971619 163521,7217,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.24192819,ISDB,UAUUFLADFXKYAU-AKICHWIXSA-N,"InChI=1S/C36H58O8/c1-20-27(40)28(41)29(42)30(43-20)44-26-11-12-32(4)23(33(26,5)18-37)10-13-34(6)24(32)9-8-21-22-16-31(2,3)14-15-36(22,19-38)25(39)17-35(21,34)7/h8-9,20,23-30,37-42H,10-19H2,1-7H3/t20-,23-,24-,25+,26+,27+,28+,29-,30+,32+,33+,34-,35-,36-/m1/s1",C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3C=CC3=C5CC(C)(C)CC[C@]5(CO)[C@@H](O)C[C@]34C)[C@]2(C)CO)[C@H](O)[C@@H](O)[C@H]1O,C36H58O8,,618.413168816,UAUUFLADFXKYAU,Terpenoids,Triterpenoids,Oleanane triterpenoids,Bupleurum smithii,820033.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Bupleureae'],['Bupleurum'],['Bupleurum smithii'],4,3,6.467712759971619 163522,7217,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.24192819,ISDB,UAUUFLADFXKYAU-WQPKRVEVSA-N,"InChI=1S/C36H58O8/c1-20-27(40)28(41)29(42)30(43-20)44-26-11-12-32(4)23(33(26,5)18-37)10-13-34(6)24(32)9-8-21-22-16-31(2,3)14-15-36(22,19-38)25(39)17-35(21,34)7/h8-9,20,23-30,37-42H,10-19H2,1-7H3/t20-,23-,24-,25-,26+,27+,28+,29-,30+,32+,33+,34-,35-,36-/m1/s1",C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3C=CC3=C5CC(C)(C)CC[C@]5(CO)[C@H](O)C[C@]34C)[C@]2(C)CO)[C@H](O)[C@@H](O)[C@H]1O,C36H58O8,,618.413168816,UAUUFLADFXKYAU,Terpenoids,Triterpenoids,Oleanane triterpenoids,Bupleurum chinense,486734.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Bupleureae'],['Bupleurum'],['Bupleurum chinense'],4,3,6.467712759971619 163451,7216,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.2650648,ISDB,KEOITPILCOILGM-LLJOFIFVSA-N,"InChI=1S/C41H66O12/c1-21-28(44)30(46)31(47)33(51-21)53-32-29(45)24(43)19-50-34(32)52-27-11-12-37(4)25(38(27,5)20-42)10-13-40(7)26(37)9-8-22-23-18-36(2,3)14-16-41(23,35(48)49)17-15-39(22,40)6/h8,21,23-34,42-47H,9-20H2,1-7H3,(H,48,49)/t21-,23-,24-,25+,26+,27-,28-,29-,30+,31+,32+,33-,34-,37-,38-,39+,40+,41-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)CC[C@]6(C(=O)O)CC[C@]45C)[C@]3(C)CO)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C41H66O12,,750.4554275520003,KEOITPILCOILGM,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,9.560259222984314 163452,7216,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.2650648,ISDB,KEOITPILCOILGM-LLJOFIFVSA-N,"InChI=1S/C41H66O12/c1-21-28(44)30(46)31(47)33(51-21)53-32-29(45)24(43)19-50-34(32)52-27-11-12-37(4)25(38(27,5)20-42)10-13-40(7)26(37)9-8-22-23-18-36(2,3)14-16-41(23,35(48)49)17-15-39(22,40)6/h8,21,23-34,42-47H,9-20H2,1-7H3,(H,48,49)/t21-,23-,24-,25+,26+,27-,28-,29-,30+,31+,32+,33-,34-,37-,38-,39+,40+,41-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)CC[C@]6(C(=O)O)CC[C@]45C)[C@]3(C)CO)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C41H66O12,,750.4554275520003,KEOITPILCOILGM,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lonicera macrantha,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,9.560259222984314 163435,7213,398,Terpenoids,Steroids,Spirostane steroids,0.40324998,ISDB,RXJRCRXMTRIYTO-HOTIZTCWSA-N,"InChI=1S/C35H58O10/c1-29(2)18-8-9-19-32(6)27(41)25(40)26(31(5)12-10-22(45-31)30(3,4)42)33(32,7)20(37)14-35(19)16-34(18,35)13-11-21(29)44-28-24(39)23(38)17(36)15-43-28/h17-28,36-42H,8-16H2,1-7H3/t17-,18+,19+,20+,21+,22+,23+,24-,25-,26-,27+,28+,31-,32-,33-,34-,35+/m1/s1",CC(C)(O)[C@@H]1CC[C@](C)([C@H]2[C@@H](O)[C@H](O)[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)[C@@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)CC[C@@]56C[C@@]46C[C@H](O)[C@]23C)O1,C35H58O10,,638.402998056,RXJRCRXMTRIYTO,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Beesia calthifolia,877310.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Beesia'],['Beesia calthifolia'],6,1,8.11299991607666 163429,7211,-1,,,,0.0,MS1_match,IGODOXYLBBXFDW-NSHDSACASA-N,"InChI=1S/C12H20O2/c1-9-5-7-11(8-6-9)12(3,4)14-10(2)13/h5,11H,6-8H2,1-4H3/t11-/m0/s1",CC(=O)OC(C)(C)[C@H]1CC=C(C)CC1,C12H20O2,pos_2MH,196.14632988,IGODOXYLBBXFDW,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 163430,7211,-1,,,,0.0,MS1_match,KGEKLUUHTZCSIP-UHFFFAOYSA-N,"InChI=1S/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3",CC(=O)OC1CC2CCC1(C)C2(C)C,C12H20O2,pos_2MH,196.14632988,KGEKLUUHTZCSIP,Terpenoids,Monoterpenoids,Camphane monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 163431,7211,-1,,,,0.0,MS1_match,KGEKLUUHTZCSIP-UHFFFAOYSA-N,"InChI=1S/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3",CC(=O)OC1CC2CCC1(C)C2(C)C,C12H20O2,pos_2MH,196.14632988,KGEKLUUHTZCSIP,Terpenoids,Monoterpenoids,Camphane monoterpenoids,Valeriana celtica,21455.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana celtica'],6,0,6.0 163432,7211,-1,,,,0.0,MS1_match,KGEKLUUHTZCSIP-HOSYDEDBSA-N,"InChI=1S/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3/t9-,10+,12+/m0/s1",CC(=O)O[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C,C12H20O2,pos_2MH,196.14632988,KGEKLUUHTZCSIP,Terpenoids,Monoterpenoids,Camphane monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,0,6.0 163433,7211,-1,,,,0.0,MS1_match,KGEKLUUHTZCSIP-HOSYDEDBSA-N,"InChI=1S/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3/t9-,10+,12+/m0/s1",CC(=O)O[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C,C12H20O2,pos_2MH,196.14632988,KGEKLUUHTZCSIP,Terpenoids,Monoterpenoids,Camphane monoterpenoids,Valeriana hardwickii,139324.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana hardwickii'],6,0,6.0 163434,7211,-1,,,,0.0,MS1_match,KGEKLUUHTZCSIP-HOSYDEDBSA-N,"InChI=1S/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3/t9-,10+,12+/m0/s1",CC(=O)O[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C,C12H20O2,pos_2MH,196.14632988,KGEKLUUHTZCSIP,Terpenoids,Monoterpenoids,Camphane monoterpenoids,Valeriana moonii,139324.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana hardwickii'],6,0,6.0 163370,7204,398,Terpenoids,Steroids,Spirostane steroids,0.4351807,ISDB,IATIAUOAJIFOSI-XVTUODIHSA-N,"InChI=1S/C39H64O13/c1-18-9-12-39(47-17-18)19(2)28-24-8-7-22-23(38(24,4)14-25(28)52-39)6-5-20-13-21(10-11-37(20,22)3)48-36-34(32(45)30(43)27(16-41)50-36)51-35-33(46)31(44)29(42)26(15-40)49-35/h18-36,40-46H,5-17H2,1-4H3/t18-,19-,20-,21-,22-,23+,24+,25-,26+,27+,28-,29-,30-,31-,32-,33+,34+,35-,36+,37-,38-,39+/m0/s1",C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@]3(C)[C@H](CC[C@H]4[C@H]3CC[C@H]3C[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)CC[C@@]34C)[C@@H]1[C@@H]2C,C39H64O13,,740.434692108,IATIAUOAJIFOSI,Terpenoids,Steroids,Spirostane steroids,Asparagus officinalis,748359.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Asparagaceae'],['Unknown'],['Asparagus'],['Asparagus officinalis'],4,3,7.2407227754592896 163371,7204,398,Terpenoids,Steroids,Spirostane steroids,0.4351807,ISDB,IATIAUOAJIFOSI-UHFFFAOYSA-N,"InChI=1S/C39H64O13/c1-18-9-12-39(47-17-18)19(2)28-24-8-7-22-23(38(24,4)14-25(28)52-39)6-5-20-13-21(10-11-37(20,22)3)48-36-34(32(45)30(43)27(16-41)50-36)51-35-33(46)31(44)29(42)26(15-40)49-35/h18-36,40-46H,5-17H2,1-4H3",CC1CCC2(OC1)OC1CC3(C)C(CCC4C3CCC3CC(OC5OC(CO)C(O)C(O)C5OC5OC(CO)C(O)C(O)C5O)CCC34C)C1C2C,C39H64O13,,740.434692108,IATIAUOAJIFOSI,Terpenoids,Steroids,Spirostane steroids,Asparagus oligoclonos,200961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Asparagaceae'],['Unknown'],['Asparagus'],['Asparagus oligoclonos'],4,3,7.2407227754592896 163372,7204,398,Terpenoids,Steroids,Spirostane steroids,0.4351807,ISDB,IATIAUOAJIFOSI-XVTUODIHSA-N,"InChI=1S/C39H64O13/c1-18-9-12-39(47-17-18)19(2)28-24-8-7-22-23(38(24,4)14-25(28)52-39)6-5-20-13-21(10-11-37(20,22)3)48-36-34(32(45)30(43)27(16-41)50-36)51-35-33(46)31(44)29(42)26(15-40)49-35/h18-36,40-46H,5-17H2,1-4H3/t18-,19-,20-,21-,22-,23+,24+,25-,26+,27+,28-,29-,30-,31-,32-,33+,34+,35-,36+,37-,38-,39+/m0/s1",C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@]3(C)[C@H](CC[C@H]4[C@H]3CC[C@H]3C[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)CC[C@@]34C)[C@@H]1[C@@H]2C,C39H64O13,,740.434692108,IATIAUOAJIFOSI,Terpenoids,Steroids,Spirostane steroids,Asparagus racemosus,724323.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Asparagaceae'],['Unknown'],['Asparagus'],['Asparagus racemosus'],4,3,7.2407227754592896 163349,7203,1472,Fatty acids,Glycerolipids,Apocarotenoids (Ψ-),0.27432778,ISDB,NIYVBTJLTZSNNA-OAQYLSRUSA-N,"InChI=1S/C23H44O6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21(28-20(2)26)17-23(27)29-22(18-24)19-25/h21-22,24-25H,3-19H2,1-2H3/t21-/m1/s1",CCCCCCCCCCCCCCC[C@H](CC(=O)OC(CO)CO)OC(C)=O,C23H44O6,,416.313789128,NIYVBTJLTZSNNA,Fatty acids,Glycerolipids,Monoacylglycerols,Paulownia tomentosa,305916.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Paulowniaceae'],['Unknown'],['Paulownia'],['Paulownia tomentosa'],4,2,6.0973111391067505 163342,7202,398,Terpenoids,Steroids,Spirostane steroids,0.46110973,ISDB,ZASVHPQOIKNCFH-WKXZVYSISA-N,"InChI=1S/C37H62O12/c1-18(2)6-9-25(39)19(3)37(45)28(48-34-31(44)32(27(41)17-47-34)49-33-30(43)29(42)26(40)16-46-33)15-24-22-8-7-20-14-21(38)10-12-35(20,4)23(22)11-13-36(24,37)5/h7,18-19,21-34,38-45H,6,8-17H2,1-5H3/t19-,21+,22-,23+,24+,25?,26-,27+,28+,29+,30-,31-,32+,33+,34+,35+,36+,37-/m1/s1",CC(C)CCC(O)[C@@H](C)[C@@]1(O)[C@@H](O[C@@H]2OC[C@H](O)[C@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C,C37H62O12,,698.424127424,ZASVHPQOIKNCFH,Terpenoids,Steroids,Cholestane steroids,Ornithogalum saundersiae,815304.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Hyacinthaceae'],['Unknown'],['Ornithogalum'],['Ornithogalum saundersiae'],4,2,6.844438910484314 163336,7199,1472,Fatty acids,Glycerolipids,Apocarotenoids (Ψ-),0.2909285,ISDB,AQBROBGRFDFAQQ-HSZRJFAPSA-N,"InChI=1S/C25H48O6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(30-22(2)28)19-25(29)31-24(20-26)21-27/h23-24,26-27H,3-21H2,1-2H3/t23-/m1/s1",CCCCCCCCCCCCCCCCC[C@H](CC(=O)OC(CO)CO)OC(C)=O,C25H48O6,,444.345089256,AQBROBGRFDFAQQ,Fatty acids,Glycerolipids,Diacylglycerols,Paulownia tomentosa,305916.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Paulowniaceae'],['Unknown'],['Paulownia'],['Paulownia tomentosa'],4,2,6.163714051246643 163263,7198,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.20013158,ISDB,NXJMINIPVKJRHD-CXGIBTINSA-N,"InChI=1S/C47H76O17/c1-22-30(51)33(54)35(56)38(60-22)63-37-31(52)25(50)20-59-40(37)62-29-11-12-43(4)27(44(29,5)21-49)10-13-46(7)28(43)9-8-23-24-18-42(2,3)14-16-47(24,17-15-45(23,46)6)41(58)64-39-36(57)34(55)32(53)26(19-48)61-39/h8,22,24-40,48-57H,9-21H2,1-7H3/t22-,24-,25-,26+,27+,28+,29-,30-,31-,32+,33+,34-,35+,36+,37+,38-,39-,40-,43-,44-,45+,46+,47-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)CC[C@]6(C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]45C)[C@]3(C)CO)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C47H76O17,,912.5082509720004,NXJMINIPVKJRHD,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,9.300526320934296 163260,7192,398,Terpenoids,Steroids,Spirostane steroids,0.46809444,ISDB,SQOIMYLIMNRUHZ-MPNCXHPSSA-N,"InChI=1S/C37H60O13/c1-6-22(39)32(44)47-25-14-36(45)27(40)11-19-20(35(36,5)13-24(25)48-33-31(43)30(42)29(41)26(15-38)49-33)8-9-34(4)21(19)12-23-28(34)18(3)37(50-23)10-7-17(2)16-46-37/h17-31,33,38-43,45H,6-16H2,1-5H3/t17-,18+,19-,20+,21+,22-,23+,24-,25-,26-,27-,28+,29-,30+,31-,33-,34+,35-,36+,37-/m1/s1",CC[C@@H](O)C(=O)O[C@@H]1C[C@]2(O)[C@H](O)C[C@H]3[C@@H]4C[C@@H]5O[C@]6(CC[C@@H](C)CO6)[C@@H](C)[C@@H]5[C@@]4(C)CC[C@@H]3[C@@]2(C)C[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C37H60O13,,712.40339198,SQOIMYLIMNRUHZ,Terpenoids,Steroids,Furostane steroids,Allium karataviense,942185.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Allieae'],['Allium'],['Allium karataviense'],4,2,6.8723777532577515 163256,7191,-1,,,,0.41479877,ISDB,XQLVDKRUFAHKFR-UHFFFAOYSA-N,"InChI=1S/C32H39NO3/c1-17-7-12-23-25-26(19(3)15-30(23,5)14-17)31(6)16-18(2)20(4)27-24(13-21-8-10-22(34)11-9-21)33-29(36)32(27,31)28(25)35/h8-11,15-17,20,23,25-26,34H,7,12-14H2,1-6H3,(H,33,36)",CC1=CC2(C)C3C(C)=CC4(C)CC(C)CCC4C3C(=O)C23C(=O)NC(Cc2ccc(O)cc2)=C3C1C,C32H39NO3,,485.292994108,XQLVDKRUFAHKFR,Amino acids and Peptides,Cyclic polyketides,3-Decalinoyltetramic acids,Diaporthaceae,660754.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Diaporthales'],['Diaporthaceae'],['Unknown'],['Unknown'],['Unknown'],1,0,2.659195065498352 163249,7190,398,Terpenoids,Steroids,Spirostane steroids,0.34974524,ISDB,RZWFBNOFUAHADD-VTYRCZOESA-N,"InChI=1S/C34H50O6Si/c1-19-16-26(39-30(37)22(19)18-38-41(8,9)31(3,4)5)20(2)23-10-11-24-21-17-29-34(40-29)28(36)13-12-27(35)33(34,7)25(21)14-15-32(23,24)6/h12-13,20-21,23-26,29H,10-11,14-18H2,1-9H3/t20-,21-,23+,24-,25-,26+,29+,32+,33-,34+/m0/s1",CC1=C(CO[Si](C)(C)C(C)(C)C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56C(=O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C34H50O6Si,,582.3376658499999,RZWFBNOFUAHADD,Terpenoids,Steroids,Ergostane steroids,Withania aristata,387708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania aristata'],4,2,6.398980975151062 163215,7189,398,Terpenoids,Steroids,Spirostane steroids,0.6125788,ISDB,UWLLQQJHSYZGDW-BFZFRUQESA-N,"InChI=1S/C33H54O10/c1-15-9-25(36)33(40-14-15)16(2)26-23(43-33)12-20-18-11-22(41-30-29(39)28(38)27(37)24(13-34)42-30)21-10-17(35)5-7-31(21,3)19(18)6-8-32(20,26)4/h15-30,34-39H,5-14H2,1-4H3/t15-,16+,17+,18-,19+,20+,21-,22+,23+,24-,25+,26+,27-,28+,29-,30-,31-,32+,33+/m1/s1",C[C@H]1CO[C@@]2(O[C@H]3C[C@H]4[C@@H]5C[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C)[C@@H](O)C1,C33H54O10,,610.371697928,UWLLQQJHSYZGDW,Terpenoids,Steroids,Spirostane steroids,Furcraea foetida,643224.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Asparagaceae'],['Unknown'],['Furcraea'],['Furcraea gigantea'],4,3,7.950315237045288 163216,7189,398,Terpenoids,Steroids,Spirostane steroids,0.6125788,ISDB,UWLLQQJHSYZGDW-BFZFRUQESA-N,"InChI=1S/C33H54O10/c1-15-9-25(36)33(40-14-15)16(2)26-23(43-33)12-20-18-11-22(41-30-29(39)28(38)27(37)24(13-34)42-30)21-10-17(35)5-7-31(21,3)19(18)6-8-32(20,26)4/h15-30,34-39H,5-14H2,1-4H3/t15-,16+,17+,18-,19+,20+,21-,22+,23+,24-,25+,26+,27-,28+,29-,30-,31-,32+,33+/m1/s1",C[C@H]1CO[C@@]2(O[C@H]3C[C@H]4[C@@H]5C[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C)[C@@H](O)C1,C33H54O10,,610.371697928,UWLLQQJHSYZGDW,Terpenoids,Steroids,Spirostane steroids,Agave utahensis,3996063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Asparagaceae'],['Unknown'],['Agave'],['Agave utahensis'],4,3,7.950315237045288 163209,7188,314,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,JDPPHKXCSVHYOR-UHFFFAOYSA-N,"InChI=1S/C29H44O13/c1-15(2)9-22(32)41-24(17(5)6)26(34)37-12-20-13-38-27(42-23(33)10-16(3)4)25-28(20,35)11-21(40-19(8)31)29(25,36)14-39-18(7)30/h13,15-17,21,24-25,27,35-36H,9-12,14H2,1-8H3",CC(=O)OCC1(O)C(OC(C)=O)CC2(O)C(COC(=O)C(OC(=O)CC(C)C)C(C)C)=COC(OC(=O)CC(C)C)C21,C29H44O13,pos_1_1proton1ammonium,600.2781914679999,JDPPHKXCSVHYOR,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,3,7.5 163210,7188,314,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,JDPPHKXCSVHYOR-LTIRXJMASA-N,"InChI=1S/C29H44O13/c1-15(2)9-22(32)41-24(17(5)6)26(34)37-12-20-13-38-27(42-23(33)10-16(3)4)25-28(20,35)11-21(40-19(8)31)29(25,36)14-39-18(7)30/h13,15-17,21,24-25,27,35-36H,9-12,14H2,1-8H3/t21-,24+,25-,27-,28-,29+/m0/s1",CC(=O)OC[C@@]1(O)[C@@H](OC(C)=O)C[C@]2(O)C(COC(=O)[C@H](OC(=O)CC(C)C)C(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@H]12,C29H44O13,pos_1_1proton1ammonium,600.278191468,JDPPHKXCSVHYOR,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,3,7.5 163211,7188,314,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,JDPPHKXCSVHYOR-XCUDLWSTSA-N,"InChI=1S/C29H44O13/c1-15(2)9-22(32)41-24(17(5)6)26(34)37-12-20-13-38-27(42-23(33)10-16(3)4)25-28(20,35)11-21(40-19(8)31)29(25,36)14-39-18(7)30/h13,15-17,21,24-25,27,35-36H,9-12,14H2,1-8H3/t21-,24?,25-,27-,28-,29+/m0/s1",CC(=O)OC[C@@]1(O)[C@@H](OC(C)=O)C[C@]2(O)C(COC(=O)C(OC(=O)CC(C)C)C(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@H]12,C29H44O13,pos_1_1proton1ammonium,600.278191468,JDPPHKXCSVHYOR,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Nardostachys jatamansi,24101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Nardostachys'],['Nardostachys jatamansi'],6,3,7.5 163212,7188,314,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,JDPPHKXCSVHYOR-UHFFFAOYSA-N,"InChI=1S/C29H44O13/c1-15(2)9-22(32)41-24(17(5)6)26(34)37-12-20-13-38-27(42-23(33)10-16(3)4)25-28(20,35)11-21(40-19(8)31)29(25,36)14-39-18(7)30/h13,15-17,21,24-25,27,35-36H,9-12,14H2,1-8H3",CC(=O)OCC1(O)C(OC(C)=O)CC2(O)C(COC(=O)C(OC(=O)CC(C)C)C(C)C)=COC(OC(=O)CC(C)C)C21,C29H44O13,pos_1_1proton1ammonium,600.2781914679999,JDPPHKXCSVHYOR,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,3,7.5 163213,7188,314,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,JDPPHKXCSVHYOR-LTIRXJMASA-N,"InChI=1S/C29H44O13/c1-15(2)9-22(32)41-24(17(5)6)26(34)37-12-20-13-38-27(42-23(33)10-16(3)4)25-28(20,35)11-21(40-19(8)31)29(25,36)14-39-18(7)30/h13,15-17,21,24-25,27,35-36H,9-12,14H2,1-8H3/t21-,24+,25-,27-,28-,29+/m0/s1",CC(=O)OC[C@@]1(O)[C@@H](OC(C)=O)C[C@]2(O)C(COC(=O)[C@H](OC(=O)CC(C)C)C(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@H]12,C29H44O13,pos_1_1proton1ammonium,600.278191468,JDPPHKXCSVHYOR,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,3,7.5 163214,7188,314,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,JDPPHKXCSVHYOR-XCUDLWSTSA-N,"InChI=1S/C29H44O13/c1-15(2)9-22(32)41-24(17(5)6)26(34)37-12-20-13-38-27(42-23(33)10-16(3)4)25-28(20,35)11-21(40-19(8)31)29(25,36)14-39-18(7)30/h13,15-17,21,24-25,27,35-36H,9-12,14H2,1-8H3/t21-,24?,25-,27-,28-,29+/m0/s1",CC(=O)OC[C@@]1(O)[C@@H](OC(C)=O)C[C@]2(O)C(COC(=O)C(OC(=O)CC(C)C)C(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@H]12,C29H44O13,pos_1_1proton1ammonium,600.278191468,JDPPHKXCSVHYOR,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Nardostachys jatamansi,24101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Nardostachys'],['Nardostachys jatamansi'],6,3,7.5 163207,7187,314,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.2076714,ISDB,SGHMUAWQXUYUAJ-JALQXBGLSA-N,"InChI=1S/C27H36O11/c1-14-8-16(28)11-27(2,3)17(14)12-37-26-25(33)24(32)23(31)20(38-26)13-36-21(29)7-6-15-9-18(34-4)22(30)19(10-15)35-5/h6-10,17,20,23-26,30-33H,11-13H2,1-5H3/b7-6+/t17-,20+,23+,24-,25+,26+/m0/s1",COc1cc(/C=C/C(=O)OC[C@H]2O[C@@H](OC[C@H]3C(C)=CC(=O)CC3(C)C)[C@H](O)[C@@H](O)[C@@H]2O)cc(OC)c1O,C27H36O11,,536.2257619719999,SGHMUAWQXUYUAJ,Terpenoids,,,Gardenia jasminoides,919367.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Gardenieae'],['Gardenia'],['Gardenia jasminoides'],4,1,5.330685615539551 163176,7186,398,Terpenoids,Steroids,Spirostane steroids,0.56008935,ISDB,NWIZKMVCQBSUSU-PXVCSFTMSA-N,"InChI=1S/C33H54O11/c1-15-5-10-33(41-14-15)16(2)24-21(43-33)11-19-17-6-9-32(44-29-27(39)26(38)25(37)22(13-34)42-29)28(40)20(35)12-23(36)31(32,4)18(17)7-8-30(19,24)3/h15-29,34-40H,5-14H2,1-4H3/t15-,16+,17-,18+,19+,20+,21+,22-,23-,24+,25-,26+,27-,28+,29+,30+,31+,32+,33-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@]5(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@H](O)[C@@H](O)C[C@@H](O)[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C33H54O11,,626.366612548,NWIZKMVCQBSUSU,Terpenoids,Steroids,Spirostane steroids,Reineckea carnea,424242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Asparagaceae'],['Unknown'],['Reineckea'],['Reineckea carnea'],4,3,7.740357398986816 163174,7178,-1,,,,0.21347076,ISDB,GADHXAAUEPUWOY-SCFLWNJASA-N,"InChI=1S/C31H48O6/c1-19(9-8-10-20(2)27(33)34)23-15-16-31(6)25-13-11-22(21(3)28(35)36)24(12-14-26(32)37-7)29(25,4)17-18-30(23,31)5/h10,19,23-25H,8-9,11-18H2,1-7H3,(H,33,34)(H,35,36)/b20-10+,22-21?/t19?,23-,24-,25?,29+,30-,31+/m1/s1",COC(=O)CC[C@@H]1C(=C(C)C(=O)O)CCC2[C@]3(C)CC[C@H](C(C)CC/C=C(\C)C(=O)O)[C@@]3(C)CC[C@]21C,C31H48O6,,516.345089256,GADHXAAUEPUWOY,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Russula vinosa,1016004.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Agaricomycetes'],['Russulales'],['Russulaceae'],['Unknown'],['Russula'],['Russula vinosa'],1,0,1.8538830280303955 163173,7177,-1,,,,0.21107972,ISDB,,,,,,,PDYJABXOYRNPHH,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.8443188667297363 163172,7174,1450,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,HSUIVCLOAAJSRE-UHFFFAOYSA-N,"InChI=1S/C14H18O6/c1-17-7-9-19-13(15)11-5-3-4-6-12(11)14(16)20-10-8-18-2/h3-6H,7-10H2,1-2H3",COCCOC(=O)c1ccccc1C(=O)OCCOC,C14H18O6,pos_1_1proton1acetonitrile,282.110338296,HSUIVCLOAAJSRE,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 163168,7171,-1,,,,0.26319358,ISDB,PGPDKMQOQDXHAJ-XORKOADCSA-N,"InChI=1S/C28H36O14/c1-36-18-8-5-16(11-19(18)37-2)25(34)40-13-28(35)14-41-27(24(28)33)39-12-20-21(30)22(31)23(32)26(42-20)38-10-9-15-3-6-17(29)7-4-15/h3-8,11,20-24,26-27,29-33,35H,9-10,12-14H2,1-2H3/t20-,21-,22+,23-,24+,26-,27-,28-/m1/s1",COc1ccc(C(=O)OC[C@@]2(O)CO[C@@H](OC[C@H]3O[C@@H](OCCc4ccc(O)cc4)[C@H](O)[C@@H](O)[C@@H]3O)[C@@H]2O)cc1OC,C28H36O14,,596.210505832,PGPDKMQOQDXHAJ,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Handroanthus impetiginosum,532896.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Bignoniaceae'],['Unknown'],['Handroanthus'],['Handroanthus impetiginosus'],4,0,5.0527743101119995 163169,7171,-1,,,,0.26319358,ISDB,PGPDKMQOQDXHAJ-XORKOADCSA-N,"InChI=1S/C28H36O14/c1-36-18-8-5-16(11-19(18)37-2)25(34)40-13-28(35)14-41-27(24(28)33)39-12-20-21(30)22(31)23(32)26(42-20)38-10-9-15-3-6-17(29)7-4-15/h3-8,11,20-24,26-27,29-33,35H,9-10,12-14H2,1-2H3/t20-,21-,22+,23-,24+,26-,27-,28-/m1/s1",COc1ccc(C(=O)OC[C@@]2(O)CO[C@@H](OC[C@H]3O[C@@H](OCCc4ccc(O)cc4)[C@H](O)[C@@H](O)[C@@H]3O)[C@@H]2O)cc1OC,C28H36O14,,596.210505832,PGPDKMQOQDXHAJ,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Handroanthus impetiginosus,532896.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Bignoniaceae'],['Unknown'],['Handroanthus'],['Handroanthus impetiginosus'],4,0,5.0527743101119995 163142,7165,-1,,,,0.5824503,ISDB,ROTRZDNJZBPLJO-MLONCLLVSA-N,"InChI=1S/C19H34O7/c1-10-5-8-14(21)19(3,4)12(10)7-6-11(2)25-18-17(24)16(23)15(22)13(9-20)26-18/h11,13-18,20-24H,5-9H2,1-4H3/t11-,13-,14-,15-,16+,17-,18-/m1/s1",CC1=C(CC[C@@H](C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@H](O)CC1,C19H34O7,,374.230453428,ROTRZDNJZBPLJO,Terpenoids,Apocarotenoids,Megastigmanes,Alangium platanifolium,414781.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Alangium'],['Alangium platanifolium'],4,0,6.329801082611084 163107,7164,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,OCNYGKNIVPVPPX-HWKANZROSA-N,"InChI=1S/C10H10O4/c1-14-10(13)5-3-7-2-4-8(11)9(12)6-7/h2-6,11-12H,1H3/b5-3+",COC(=O)/C=C/c1ccc(O)c(O)c1,C10H10O4,pos_1_1proton1methanol,194.0579088,OCNYGKNIVPVPPX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera bournei,5746380.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera bournei'],7,3,8.5 163083,7163,173,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,JNNGEAWILNVFFD-CDJYTOATSA-N,"InChI=1S/C16H24O10/c1-5-8(18)2-6-7(14(22)23)4-24-15(10(5)6)26-16-13(21)12(20)11(19)9(3-17)25-16/h4-6,8-13,15-21H,2-3H2,1H3,(H,22,23)/t5-,6+,8-,9+,10+,11+,12-,13+,15-,16-/m0/s1",C[C@@H]1[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)O)[C@H]2C[C@@H]1O,C16H24O10,pos_2MH,376.1369469679999,JNNGEAWILNVFFD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],8,3,9.5 163084,7163,173,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,JNNGEAWILNVFFD-CDJYTOATSA-N,"InChI=1S/C16H24O10/c1-5-8(18)2-6-7(14(22)23)4-24-15(10(5)6)26-16-13(21)12(20)11(19)9(3-17)25-16/h4-6,8-13,15-21H,2-3H2,1H3,(H,22,23)/t5-,6+,8-,9+,10+,11+,12-,13+,15-,16-/m0/s1",C[C@@H]1[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)O)[C@H]2C[C@@H]1O,C16H24O10,pos_2MH,376.1369469679999,JNNGEAWILNVFFD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],8,3,9.5 163029,7162,1292,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.68588775,ISDB,HKMDHBXRMZEVHY-UHFFFAOYSA-N,"InChI=1S/C16H26O8/c1-7-8-3-4-16(2,9(8)6-22-14(7)21)24-15-13(20)12(19)11(18)10(5-17)23-15/h7-13,15,17-20H,3-6H2,1-2H3",CC1C(=O)OCC2C1CCC2(C)OC1OC(CO)C(O)C(O)C1O,C16H26O8,,346.1627677919999,HKMDHBXRMZEVHY,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia scabra,68239.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia scabra'],6,3,10.243551015853882 162715,7161,374,Terpenoids,Steroids,Cholestane steroids,0.32162714,ISDB,IWNCBADONFSAAW-NFVQQQKOSA-N,"InChI=1S/C29H48O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-17-27(31)26-16-21(30)12-14-29(26,6)25(22)13-15-28(23,24)5/h16,18-20,22-25,27,31H,7-15,17H2,1-6H3/t19-,20-,22+,23-,24+,25+,27-,28-,29-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C29H48O2,,428.365430776,IWNCBADONFSAAW,Terpenoids,Steroids,Stigmastane steroids,Patrinia rupestris,1035977.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia rupestris'],6,2,8.286508560180664 162713,7160,588,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,MWLKXILGJPSPKZ-LWSBBEHMSA-N,"InChI=1S/C34H46O19/c1-5-15-17(18(29(44)46-3)12-48-31(15)52-33-27(42)25(40)23(38)20(10-36)50-33)8-7-14(9-35)22-16(6-2)32(49-13-19(22)30(45)47-4)53-34-28(43)26(41)24(39)21(11-37)51-34/h5-7,9,12-13,15-17,20-28,31-34,36-43H,1-2,8,10-11H2,3-4H3/b14-7+/t15-,16-,17+,20-,21-,22+,23-,24-,25+,26+,27-,28-,31+,32+,33+,34+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1C/C=C(\C=O)[C@@H]1C(C(=O)OC)=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1C=C,C34H46O19,pos_1_1proton1acetonitrile,758.263329252,MWLKXILGJPSPKZ,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 162714,7160,588,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,MWLKXILGJPSPKZ-UHFFFAOYSA-N,"InChI=1S/C34H46O19/c1-5-15-17(18(29(44)46-3)12-48-31(15)52-33-27(42)25(40)23(38)20(10-36)50-33)8-7-14(9-35)22-16(6-2)32(49-13-19(22)30(45)47-4)53-34-28(43)26(41)24(39)21(11-37)51-34/h5-7,9,12-13,15-17,20-28,31-34,36-43H,1-2,8,10-11H2,3-4H3",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC=C(C=O)C1C(C(=O)OC)=COC(OC2OC(CO)C(O)C(O)C2O)C1C=C,C34H46O19,pos_1_1proton1acetonitrile,758.263329252,MWLKXILGJPSPKZ,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera,649885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Unknown'],7,3,8.5 162712,7156,766,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CWHCBJYWFQQIOT-GZKNRDGBSA-N,"InChI=1S/C28H32O17/c1-40-26-20(35)17-13(32)5-10(6-14(17)43-25(26)9-2-3-11(30)12(31)4-9)42-28-24(39)22(37)19(34)16(45-28)8-41-27-23(38)21(36)18(33)15(7-29)44-27/h2-6,15-16,18-19,21-24,27-34,36-39H,7-8H2,1H3/t15-,16-,18-,19-,21+,22+,23-,24-,27-,28-/m1/s1",COc1c(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c2c1=O,C28H32O17,pos_1_1proton,640.163949564,CWHCBJYWFQQIOT,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Lonicera implexa,692207.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera implexa'],8,3,9.5 162707,7154,-1,,,,0.27357486,ISDB,GMGRAGPXURLASU-UHFFFAOYSA-N,"InChI=1S/C35H52O6/c1-4-6-8-10-12-14-16-18-20-22-25-31(37)33(39)29-27-24-28(40-3)30(36)26(34(27)41-35(29)32(25)38)23-21-19-17-15-13-11-9-7-5-2/h24,36-37H,4-23H2,1-3H3",CCCCCCCCCCCC1=C(O)C(=O)c2c(oc3c(CCCCCCCCCCC)c(O)c(OC)cc23)C1=O,C35H52O6,,568.3763893839999,GMGRAGPXURLASU,Polyketides,Aromatic polyketides,,Aegiceras corniculatum,519879.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Primulaceae'],['Unknown'],['Aegiceras'],['Aegiceras corniculatum'],4,0,5.0942994356155396 162683,7146,-1,,,,0.21063887,ISDB,DYFUVQSGLMQLRX-ALBXZGMBSA-N,"InChI=1S/C36H56O10/c1-31(2)13-15-36(30(43)44)16-14-34(5)19(20(36)17-31)7-8-22-32(3)11-10-23(33(4,18-37)21(32)9-12-35(22,34)6)45-29-26(40)24(38)25(39)27(46-29)28(41)42/h7,20-27,29,37-40H,8-18H2,1-6H3,(H,41,42)(H,43,44)/t20-,21+,22+,23-,24-,25-,26+,27-,29+,32-,33-,34+,35+,36-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C36H56O10,,648.387347992,DYFUVQSGLMQLRX,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lonicera nigra,179065.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera nigra'],8,0,8.842555463314056 162670,7145,398,Terpenoids,Steroids,Spirostane steroids,0.47881994,ISDB,KDMLORXVQJDOAH-GJJOIAPYSA-N,"InChI=1S/C35H58O12/c1-5-20-26(40)30(47-34(20,4)16-38)23(14-36)35(44)25(39)13-22-19-7-6-17-12-18(8-10-32(17,2)21(19)9-11-33(22,35)3)45-31-29(43)28(42)27(41)24(15-37)46-31/h7,17-18,20-31,36-44H,5-6,8-16H2,1-4H3/t17-,18-,20-,21-,22-,23+,24+,25-,26-,27+,28-,29+,30-,31+,32-,33-,34+,35+/m0/s1",CC[C@H]1[C@H](O)[C@H]([C@@H](CO)[C@@]2(O)[C@@H](O)C[C@H]3C4=CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@@]32C)O[C@]1(C)CO,C35H58O12,,670.392827296,KDMLORXVQJDOAH,Terpenoids,Steroids,Stigmastane steroids,Ajuga salicifolia,5793032.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Ajuga'],['Ajuga salicifolia'],4,2,6.915279746055603 162662,7142,169,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,ZHFDCOHUCIESBS-UHFFFAOYSA-N,"InChI=1S/C22H28O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h7-8,10,12,17,20-21H,6,9,11H2,1-5H3",CC(=O)OCC1=COC(OC(=O)C=C(C)C)C2C1=CC(OC(=O)CC(C)C)C21CO1,C22H28O8,pos_2_2proton2acetonitrile,420.178417856,ZHFDCOHUCIESBS,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,3,7.5 162663,7142,169,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,ZHFDCOHUCIESBS-KVJIRVJXSA-N,"InChI=1S/C22H28O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h7-8,10,12,17,20-21H,6,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)C=C(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H28O8,pos_2_2proton2acetonitrile,420.1784178559999,ZHFDCOHUCIESBS,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana sorbifolia,445623.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana sorbifolia'],6,3,7.5 162664,7142,169,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,ZHFDCOHUCIESBS-UHFFFAOYSA-N,"InChI=1S/C22H28O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h7-8,10,12,17,20-21H,6,9,11H2,1-5H3",CC(=O)OCC1=COC(OC(=O)C=C(C)C)C2C1=CC(OC(=O)CC(C)C)C21CO1,C22H28O8,pos_2_2proton2acetonitrile,420.178417856,ZHFDCOHUCIESBS,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,3,7.5 162665,7142,169,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,ZHFDCOHUCIESBS-KVJIRVJXSA-N,"InChI=1S/C22H28O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h7-8,10,12,17,20-21H,6,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)C=C(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H28O8,pos_2_2proton2acetonitrile,420.1784178559999,ZHFDCOHUCIESBS,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana sorbifolia,445623.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana sorbifolia'],6,3,7.5 162648,7141,491,Amino acids and Peptides,Phenylpropanoids (C6-C3),Cinnamic acid amides,0.8459678,ISDB,UPNWOCRDANTCBA-DUXPYHPUSA-N,"InChI=1S/C19H21NO4/c1-24-18-13-15(7-10-17(18)22)3-2-4-19(23)20-12-11-14-5-8-16(21)9-6-14/h2,4-10,13,21-22H,3,11-12H2,1H3,(H,20,23)/b4-2+",COc1cc(C/C=C/C(=O)NCCc2ccc(O)cc2)ccc1O,C19H21NO4,,327.147058152,UPNWOCRDANTCBA,Amino acids and Peptides,Phenylpropanoids (C6-C3),Cinnamic acid amides,Pisonia aculeata,833114.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Nyctaginaceae'],['Unknown'],['Pisonia'],['Pisonia aculeata'],0,3,4.88387131690979 162647,7138,145,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.3917045,ISDB,,,,,,,XRVICBWHHBPCDB,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.5668179988861084 162644,7137,-1,,,,0.67057204,ISDB,CCYMARHRBUVHFA-JKIATBFQSA-N,"InChI=1S/C22H26N2O6/c1-11-13-9-24-7-6-22(17(24)8-12(13)14(10-30-11)20(26)29-3)15-4-5-16(25)19(28-2)18(15)23-21(22)27/h4-5,10-13,17,25H,6-9H2,1-3H3,(H,23,27)/t11-,12-,13-,17-,22+/m0/s1",COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CC[C@]4(C(=O)Nc5c4ccc(O)c5OC)[C@@H]3C[C@H]12,C22H26N2O6,,414.179086552,CCYMARHRBUVHFA,Alkaloids,Tryptophan alkaloids,Corynanthe type,Vinca erecta,6068172.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Vinceae'],['Vinca'],['Vinca erecta'],4,0,6.68228816986084 162642,7136,145,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UASMTJSLCCDICT-UHFFFAOYSA-N,"InChI=1S/C13H18O2/c1-9-3-2-4-11(13(14)15)8-12-7-10(12)6-5-9/h3,8,10,12H,2,4-7H2,1H3,(H,14,15)",CC1=CCCC(C(=O)O)=CC2CC2CC1,C13H18O2,pos_2MNa,206.130679816,UASMTJSLCCDICT,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,Valeriana dageletiana,7625130.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana dageletiana'],6,0,6.0 162643,7136,145,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UASMTJSLCCDICT-UHFFFAOYSA-N,"InChI=1S/C13H18O2/c1-9-3-2-4-11(13(14)15)8-12-7-10(12)6-5-9/h3,8,10,12H,2,4-7H2,1H3,(H,14,15)",CC1=CCCC(C(=O)O)=CC2CC2CC1,C13H18O2,pos_2MNa,206.130679816,UASMTJSLCCDICT,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 162641,7135,145,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.21156958,ISDB,OUCNJXKGEGGTTI-UHFFFAOYSA-N,"InChI=1S/C23H24O4/c1-26-21-14-18(9-6-16-4-3-5-20(25)12-16)22(23(15-21)27-2)13-17-7-10-19(24)11-8-17/h3-5,7-8,10-12,14-15,24-25H,6,9,13H2,1-2H3",COc1cc(CCc2cccc(O)c2)c(Cc2ccc(O)cc2)c(OC)c1,C23H24O4,,364.167459248,OUCNJXKGEGGTTI,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Bletilla ochracea,88911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Arethuseae'],['Bletilla'],['Bletilla ochracea'],4,0,4.8462783098220825 162636,7129,173,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,GWYFCOCPABKNJV-UHFFFAOYSA-N,"InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)",CC(C)CC(=O)O,C5H10O2,pos_2MHCH3CN,102.06807956,GWYFCOCPABKNJV,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 162637,7129,173,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,GWYFCOCPABKNJV-UHFFFAOYSA-N,"InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)",CC(C)CC(=O)O,C5H10O2,pos_2MHCH3CN,102.06807956,GWYFCOCPABKNJV,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Centranthus macrosiphon,231861.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Centranthus'],['Centranthus macrosiphon'],6,0,6.0 162638,7129,173,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,GWYFCOCPABKNJV-UHFFFAOYSA-N,"InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)",CC(C)CC(=O)O,C5H10O2,pos_2MHCH3CN,102.06807956,GWYFCOCPABKNJV,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Valeriana celtica,21455.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana celtica'],6,0,6.0 162639,7129,173,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,NQPDZGIKBAWPEJ-UHFFFAOYSA-N,"InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)",CCCCC(=O)O,C5H10O2,pos_2MHCH3CN,102.06807956,NQPDZGIKBAWPEJ,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Centranthus macrosiphon,231861.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Centranthus'],['Centranthus macrosiphon'],6,0,6.0 162640,7129,173,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,NQPDZGIKBAWPEJ-UHFFFAOYSA-N,"InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)",CCCCC(=O)O,C5H10O2,pos_2MHCH3CN,102.06807956,NQPDZGIKBAWPEJ,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 162627,7128,-1,,,,0.0,MS1_match,JZJSMQHXFBDMBB-RTQWZQBFSA-N,"InChI=1S/C42H68O14/c1-37(2)13-15-42(36(52)56-35-33(51)31(49)29(47)24(55-35)19-53-34-32(50)30(48)28(46)23(18-43)54-34)16-14-40(5)21(22(42)17-37)7-8-26-38(3)11-10-27(45)39(4,20-44)25(38)9-12-41(26,40)6/h7,22-35,43-51H,8-20H2,1-6H3/t22-,23+,24+,25+,26+,27-,28+,29+,30-,31-,32+,33+,34+,35-,38-,39-,40+,41+,42-/m0/s1",CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C42H68O14,pos_1_sodium,796.4609068560001,JZJSMQHXFBDMBB,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lonicera macrantha,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 162628,7128,-1,,,,0.0,MS1_match,JZJSMQHXFBDMBB-RTQWZQBFSA-N,"InChI=1S/C42H68O14/c1-37(2)13-15-42(36(52)56-35-33(51)31(49)29(47)24(55-35)19-53-34-32(50)30(48)28(46)23(18-43)54-34)16-14-40(5)21(22(42)17-37)7-8-26-38(3)11-10-27(45)39(4,20-44)25(38)9-12-41(26,40)6/h7,22-35,43-51H,8-20H2,1-6H3/t22-,23+,24+,25+,26+,27-,28+,29+,30-,31-,32+,33+,34+,35-,38-,39-,40+,41+,42-/m0/s1",CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C42H68O14,pos_1_sodium,796.4609068560001,JZJSMQHXFBDMBB,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lonicera macrantha,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 162629,7128,-1,,,,0.0,MS1_match,YEBCEGBBUMGPQI-OLTREEDVSA-N,"InChI=1S/C42H68O14/c1-37(2)13-15-42(36(52)56-35-33(51)31(49)29(47)24(19-44)54-35)16-14-40(5)21(22(42)17-37)7-8-26-38(3)11-10-27(39(4,20-45)25(38)9-12-41(26,40)6)55-34-32(50)30(48)28(46)23(18-43)53-34/h7,22-35,43-51H,8-20H2,1-6H3/t22-,23+,24+,25+,26+,27-,28+,29+,30-,31-,32+,33+,34-,35-,38-,39-,40+,41+,42-/m0/s1",CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C42H68O14,pos_1_sodium,796.4609068560001,YEBCEGBBUMGPQI,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lonicera bournei,5746380.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera bournei'],7,0,7.0 162630,7128,-1,,,,0.0,MS1_match,YEBCEGBBUMGPQI-OLTREEDVSA-N,"InChI=1S/C42H68O14/c1-37(2)13-15-42(36(52)56-35-33(51)31(49)29(47)24(19-44)54-35)16-14-40(5)21(22(42)17-37)7-8-26-38(3)11-10-27(39(4,20-45)25(38)9-12-41(26,40)6)55-34-32(50)30(48)28(46)23(18-43)53-34/h7,22-35,43-51H,8-20H2,1-6H3/t22-,23+,24+,25+,26+,27-,28+,29+,30-,31-,32+,33+,34-,35-,38-,39-,40+,41+,42-/m0/s1",CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C42H68O14,pos_1_sodium,796.4609068560001,YEBCEGBBUMGPQI,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lonicera bournei,5746380.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera bournei'],7,0,7.0 162631,7128,-1,,,,0.0,MS1_match,ORESVIJUAVPRJL-XUJNLDPJSA-N,"InChI=1S/C42H68O14/c1-20(2)21-9-14-42(37(52)56-36-34(51)32(49)30(47)24(18-44)54-36)16-15-40(5)22(28(21)42)7-8-26-38(3)12-11-27(39(4,19-45)25(38)10-13-41(26,40)6)55-35-33(50)31(48)29(46)23(17-43)53-35/h21-36,43-51H,1,7-19H2,2-6H3/t21-,22+,23+,24+,25+,26+,27-,28+,29+,30+,31-,32-,33+,34+,35-,36-,38-,39-,40+,41+,42-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]12,C42H68O14,pos_1_sodium,796.460906856,ORESVIJUAVPRJL,Terpenoids,Triterpenoids,Lupane triterpenoids,Lonicera bournei,5746380.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera bournei'],7,0,7.0 162622,7127,-1,,,,0.0,MS1_match,NQYKVDKWBKOHRD-UHFFFAOYSA-N,"InChI=1S/C23H34O8/c1-6-14(4)8-20(26)31-22-21-17(9-18(30-15(5)24)23(21)12-29-23)16(11-28-22)10-27-19(25)7-13(2)3/h11,13-14,17-18,21-22H,6-10,12H2,1-5H3",CCC(C)CC(=O)OC1OC=C(COC(=O)CC(C)C)C2CC(OC(C)=O)C3(CO3)C12,C23H34O8,pos_1_1proton1methanol,438.225368048,NQYKVDKWBKOHRD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 162623,7127,-1,,,,0.0,MS1_match,NQYKVDKWBKOHRD-UHFFFAOYSA-N,"InChI=1S/C23H34O8/c1-6-14(4)8-20(26)31-22-21-17(9-18(30-15(5)24)23(21)12-29-23)16(11-28-22)10-27-19(25)7-13(2)3/h11,13-14,17-18,21-22H,6-10,12H2,1-5H3",CCC(C)CC(=O)OC1OC=C(COC(=O)CC(C)C)C2CC(OC(C)=O)C3(CO3)C12,C23H34O8,pos_1_1proton1methanol,438.225368048,NQYKVDKWBKOHRD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana prionophylla,526653.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana prionophylla'],6,0,6.0 162624,7127,-1,,,,0.0,MS1_match,NQYKVDKWBKOHRD-UHFFFAOYSA-N,"InChI=1S/C23H34O8/c1-6-14(4)8-20(26)31-22-21-17(9-18(30-15(5)24)23(21)12-29-23)16(11-28-22)10-27-19(25)7-13(2)3/h11,13-14,17-18,21-22H,6-10,12H2,1-5H3",CCC(C)CC(=O)OC1OC=C(COC(=O)CC(C)C)C2CC(OC(C)=O)C3(CO3)C12,C23H34O8,pos_1_1proton1methanol,438.225368048,NQYKVDKWBKOHRD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana pulchella,5746422.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana pulchella'],6,0,6.0 162625,7127,-1,,,,0.0,MS1_match,NQYKVDKWBKOHRD-UHFFFAOYSA-N,"InChI=1S/C23H34O8/c1-6-14(4)8-20(26)31-22-21-17(9-18(30-15(5)24)23(21)12-29-23)16(11-28-22)10-27-19(25)7-13(2)3/h11,13-14,17-18,21-22H,6-10,12H2,1-5H3",CCC(C)CC(=O)OC1OC=C(COC(=O)CC(C)C)C2CC(OC(C)=O)C3(CO3)C12,C23H34O8,pos_1_1proton1methanol,438.225368048,NQYKVDKWBKOHRD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,0,6.0 162626,7127,-1,,,,0.0,MS1_match,NQYKVDKWBKOHRD-UHFFFAOYSA-N,"InChI=1S/C23H34O8/c1-6-14(4)8-20(26)31-22-21-17(9-18(30-15(5)24)23(21)12-29-23)16(11-28-22)10-27-19(25)7-13(2)3/h11,13-14,17-18,21-22H,6-10,12H2,1-5H3",CCC(C)CC(=O)OC1OC=C(COC(=O)CC(C)C)C2CC(OC(C)=O)C3(CO3)C12,C23H34O8,pos_1_1proton1methanol,438.225368048,NQYKVDKWBKOHRD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana capensis,135852.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana capensis'],6,0,6.0 162615,7126,1046,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,0.0,MS1_match,DRAPQDCEBKBPQE-ACFZRETJSA-N,"InChI=1S/C26H32O12/c1-33-17-7-12(3-5-15(17)28)23-14-10-35-24(13-4-6-16(29)18(8-13)34-2)26(14,11-36-23)38-25-22(32)21(31)20(30)19(9-27)37-25/h3-8,14,19-25,27-32H,9-11H2,1-2H3/t14-,19-,20-,21+,22-,23-,24-,25+,26-/m1/s1",COc1cc([C@H]2OC[C@]3(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](c4ccc(O)c(OC)c4)OC[C@H]23)ccc1O,C26H32O12,pos_2_2proton2acetonitrile,536.1893764639999,DRAPQDCEBKBPQE,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,3,7.5 162616,7126,1046,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,0.0,MS1_match,ORRYWOBRSQRASU-UHFFFAOYSA-N,"InChI=1S/C26H32O12/c1-33-17-7-12(3-5-15(17)28)23-14-10-35-24(26(14,32)11-36-23)13-4-6-16(18(8-13)34-2)37-25-22(31)21(30)20(29)19(9-27)38-25/h3-8,14,19-25,27-32H,9-11H2,1-2H3",COc1cc(C2OCC3(O)C(c4ccc(OC5OC(CO)C(O)C(O)C5O)c(OC)c4)OCC23)ccc1O,C26H32O12,pos_2_2proton2acetonitrile,536.189376464,ORRYWOBRSQRASU,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,3,7.5 162617,7126,1046,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,0.0,MS1_match,ORRYWOBRSQRASU-UHFFFAOYSA-N,"InChI=1S/C26H32O12/c1-33-17-7-12(3-5-15(17)28)23-14-10-35-24(26(14,32)11-36-23)13-4-6-16(18(8-13)34-2)37-25-22(31)21(30)20(29)19(9-27)38-25/h3-8,14,19-25,27-32H,9-11H2,1-2H3",COc1cc(C2OCC3(O)C(c4ccc(OC5OC(CO)C(O)C(O)C5O)c(OC)c4)OCC23)ccc1O,C26H32O12,pos_2_2proton2acetonitrile,536.189376464,ORRYWOBRSQRASU,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,3,7.5 162618,7126,1046,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,0.0,MS1_match,GQLQVPZSTWXDBQ-ZOKOZUFBSA-N,"InChI=1S/C26H32O12/c1-33-17-8-13(3-5-15(17)28)24-26(32)11-36-23(14(26)10-35-24)12-4-6-16(18(7-12)34-2)37-25-22(31)21(30)20(29)19(9-27)38-25/h3-8,14,19-25,27-32H,9-11H2,1-2H3/t14-,19-,20-,21+,22-,23-,24-,25-,26-/m1/s1",COc1cc([C@H]2OC[C@@H]3[C@@H](c4ccc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)c(OC)c4)OC[C@]23O)ccc1O,C26H32O12,pos_2_2proton2acetonitrile,536.1893764639998,GQLQVPZSTWXDBQ,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Valeriana prionophylla,526653.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana prionophylla'],6,3,7.5 162619,7126,1046,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,0.0,MS1_match,KPZWNZOLVDRTMM-YRDWWIAGSA-N,"InChI=1S/C26H32O12/c1-33-18-8-13(3-5-16(18)28)23-26(32)11-36-22(15(26)10-35-23)12-4-6-17(19(7-12)34-2)37-25-14(9-27)20(29)21(30)24(31)38-25/h3-8,14-15,20-25,27-32H,9-11H2,1-2H3/t14-,15-,20-,21+,22-,23-,24+,25+,26-/m1/s1",COc1cc([C@H]2OC[C@@H]3[C@@H](c4ccc(O[C@H]5O[C@H](O)[C@@H](O)[C@H](O)[C@H]5CO)c(OC)c4)OC[C@]23O)ccc1O,C26H32O12,pos_2_2proton2acetonitrile,536.189376464,KPZWNZOLVDRTMM,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Valeriana prionophylla,526653.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana prionophylla'],6,3,7.5 162611,7123,335,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,MNTMKESYFRNNRE-SDXTZGNSSA-N,"InChI=1S/C53H86O23/c1-48(2)13-15-53(47(68)76-45-41(67)38(64)35(61)28(73-45)21-70-43-39(65)36(62)33(59)26(18-54)71-43)16-14-51(5)23(24(53)17-48)7-8-30-49(3)11-10-31(50(4,22-56)29(49)9-12-52(30,51)6)74-46-42(32(58)25(57)20-69-46)75-44-40(66)37(63)34(60)27(19-55)72-44/h7,24-46,54-67H,8-22H2,1-6H3/t24-,25+,26+,27+,28+,29+,30+,31-,32+,33+,34+,35+,36-,37-,38-,39+,40+,41+,42-,43+,44-,45-,46-,49-,50-,51+,52+,53-/m0/s1",CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@@H](O)[C@@H](O)[C@@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C53H86O23,pos_1_sodium,1090.555989012,MNTMKESYFRNNRE,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lonicera nigra,179065.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera nigra'],8,3,9.5 162612,7123,335,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,MNTMKESYFRNNRE-SDXTZGNSSA-N,"InChI=1S/C53H86O23/c1-48(2)13-15-53(47(68)76-45-41(67)38(64)35(61)28(73-45)21-70-43-39(65)36(62)33(59)26(18-54)71-43)16-14-51(5)23(24(53)17-48)7-8-30-49(3)11-10-31(50(4,22-56)29(49)9-12-52(30,51)6)74-46-42(32(58)25(57)20-69-46)75-44-40(66)37(63)34(60)27(19-55)72-44/h7,24-46,54-67H,8-22H2,1-6H3/t24-,25+,26+,27+,28+,29+,30+,31-,32+,33+,34+,35+,36-,37-,38-,39+,40+,41+,42-,43+,44-,45-,46-,49-,50-,51+,52+,53-/m0/s1",CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@@H](O)[C@@H](O)[C@@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C53H86O23,pos_1_sodium,1090.555989012,MNTMKESYFRNNRE,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lonicera nigra,179065.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera nigra'],8,3,9.5 162608,7121,145,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.24399692,ISDB,YCIZAGMNZSNASP-IRXDYDNUSA-N,"InChI=1S/C17H22N2O6/c1-10(2)16(24-4)14(22)18-17(25-5,15(19-16)23-3)13(21)11-6-8-12(20)9-7-11/h6-10,20H,1-5H3,(H,18,22)/t16-,17-/m0/s1",COC1=N[C@](OC)(C(C)C)C(=O)N[C@]1(OC)C(=O)c1ccc(O)cc1,C17H22N2O6,,350.147786424,YCIZAGMNZSNASP,Alkaloids,Peptide alkaloids,,Phoma herbarum,437937.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Dothideomycetes'],['Pleosporales'],['Didymellaceae'],['Unknown'],['Phoma'],['Phoma herbarum'],1,1,2.475987672805786 162609,7121,145,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.24399692,ISDB,YCIZAGMNZSNASP-UHFFFAOYSA-N,"InChI=1S/C17H22N2O6/c1-10(2)16(24-4)14(22)18-17(25-5,15(19-16)23-3)13(21)11-6-8-12(20)9-7-11/h6-10,20H,1-5H3,(H,18,22)",COC1=NC(OC)(C(C)C)C(=O)NC1(OC)C(=O)c1ccc(O)cc1,C17H22N2O6,,350.147786424,YCIZAGMNZSNASP,Alkaloids,Peptide alkaloids,,Boeremia exigua,30694.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Dothideomycetes'],['Pleosporales'],['Didymellaceae'],['Unknown'],['Boeremia'],['Boeremia exigua'],1,1,2.475987672805786 162594,7120,-1,,,,0.32739666,ISDB,VHAFSTUPIKPISL-PVKKKEKWSA-N,"InChI=1S/C15H22N2O3/c18-12-5-6-13(19)16-9-10-3-1-7-17(20)8-2-4-11(14(12)16)15(10)17/h5-6,10-12,14-15,18H,1-4,7-9H2/t10-,11+,12+,14-,15-,17?/m0/s1",O=C1C=C[C@@H](O)[C@@H]2[C@H]3CCC[N+]4([O-])CCC[C@@H](CN12)[C@@H]34,C15H22N2O3,,278.163042564,VHAFSTUPIKPISL,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Sophora tonkinensis,434824.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Sophora'],['Sophora tonkinensis'],4,0,5.3095866441726685 162544,7119,1133,Alkaloids,Lysine alkaloids,Indolizidine alkaloids,0.46570587,ISDB,DOJXTMYNRCGFBG-UHFFFAOYSA-N,"InChI=1S/C19H19NO4/c1-22-13-3-2-12-4-6-20-7-5-16(21)14-8-17-18(24-11-23-17)9-15(14)19(12,20)10-13/h2-4,8-9,13H,5-7,10-11H2,1H3",COC1C=CC2=CCN3CCC(=O)c4cc5c(cc4C23C1)OCO5,C19H19NO4,,325.131408088,DOJXTMYNRCGFBG,Alkaloids,Lysine alkaloids,Indolizidine alkaloids,Kuntheria pedunculata,705887.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Liliales'],['Colchicaceae'],['Unknown'],['Kuntheria'],['Kuntheria pedunculata'],4,3,7.362823486328125 162542,7118,-1,,,,0.29939973,ISDB,FTPYFKFDSUGCPB-SIKLNZKXSA-N,"InChI=1S/C22H26O3/c1-21(2)7-4-8-22(3)17-11-15-16(9-13(17)5-6-19(21)22)20(25)14(12-23)10-18(15)24/h9-11,19,23H,4-8,12H2,1-3H3/t19-,22+/m0/s1",CC1(C)CCC[C@]2(C)c3cc4c(cc3CC[C@@H]12)C(=O)C(CO)=CC4=O,C22H26O3,,338.188194692,FTPYFKFDSUGCPB,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Phyllosticta spinarum,56261.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Dothideomycetes'],['Botryosphaeriales'],['Phyllostictaceae'],['Unknown'],['Phyllosticta'],['Phyllosticta spinarum'],1,0,2.197598934173584 162327,7117,764,Terpenoids,Steroids,Cholestane steroids,0.58674335,ISDB,HGCLEPLEUUJGID-REBIDWDSSA-N,"InChI=1S/C27H44O3/c1-17(2)7-6-8-18(3)20-9-10-21-22-16-24(29)23-15-19(28)11-12-26(23,5)27(22,30)14-13-25(20,21)4/h16-21,23,28,30H,6-15H2,1-5H3/t18-,19+,20-,21+,23-,25-,26+,27-/m1/s1",CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@@]3(O)CC[C@]12C,C27H44O3,,416.329045268,HGCLEPLEUUJGID,Terpenoids,Steroids,Cholestane steroids,Peniocereus viperinus,700179.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Cactaceae'],['Echinocereeae'],['Peniocereus'],['Peniocereus viperinus'],4,3,7.846973419189453 162293,7115,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.5734557,ISDB,VHFYCADQVMYJEI-OCCSQVGLSA-N,"InChI=1S/C14H22/c1-10(2)13-8-7-12-6-4-5-11(3)14(12)9-13/h12,14H,3-9H2,1-2H3/t12-,14+/m1/s1",C=C1CCC[C@@H]2CCC(=C(C)C)C[C@@H]12,C14H22,,190.172150704,VHFYCADQVMYJEI,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Trichogonia salviifolia,5739079.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Trichogonia'],['Trichogonia salviifolia'],4,3,7.793822765350342 162183,7114,-1,,,,0.63057375,ISDB,PNIQVCYAORGJMD-UHFFFAOYSA-N,"InChI=1S/C13H20O2/c1-10(2)6-5-9(14)12(4)13(10)8-7-11(13,3)15-12/h7-9,14H,5-6H2,1-4H3",CC1(C)CCC(O)C2(C)OC3(C)C=CC132,C13H20O2,,208.14632988,PNIQVCYAORGJMD,Terpenoids,Sesquiterpenoids,Chamigrane sesquiterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],0,0,2.5222949981689453 162163,7110,-1,,,,0.37846953,ISDB,QLVTZLGYKYKHCT-WJWAULOUSA-N,"InChI=1S/C22H24O3/c1-13-14(2)22(16-4-6-18-10-24-12-20(18)8-16)25-21(13)15-3-5-17-9-23-11-19(17)7-15/h3-8,13-14,21-22H,9-12H2,1-2H3/t13-,14-,21-,22-/m0/s1",C[C@H]1[C@H](C)[C@@H](c2ccc3c(c2)COC3)O[C@@H]1c1ccc2c(c1)COC2,C22H24O3,,336.172544628,QLVTZLGYKYKHCT,Polyketides,,,Magnolia denudata,881612.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia denudata'],4,0,5.513878107070923 162146,7103,-1,,,,0.0,MS1_match,CCRXMHCQWYVXTE-AWALXHGNSA-N,"InChI=1S/C47H76O18/c1-42(2)13-15-47(41(59)65-40-37(58)34(55)32(53)26(63-40)20-61-38-36(57)33(54)31(52)25(18-48)62-38)16-14-45(5)22(23(47)17-42)7-8-28-43(3)11-10-29(64-39-35(56)30(51)24(50)19-60-39)44(4,21-49)27(43)9-12-46(28,45)6/h7,23-40,48-58H,8-21H2,1-6H3/t23-,24+,25+,26+,27+,28+,29-,30+,31+,32+,33-,34-,35-,36+,37+,38+,39-,40-,43-,44-,45+,46+,47-/m0/s1",CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@@H](O)[C@@H](O)[C@@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C47H76O18,pos_1_sodium,928.503165592,CCRXMHCQWYVXTE,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lonicera nigra,179065.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera nigra'],8,0,8.0 162147,7103,-1,,,,0.0,MS1_match,CCRXMHCQWYVXTE-AWALXHGNSA-N,"InChI=1S/C47H76O18/c1-42(2)13-15-47(41(59)65-40-37(58)34(55)32(53)26(63-40)20-61-38-36(57)33(54)31(52)25(18-48)62-38)16-14-45(5)22(23(47)17-42)7-8-28-43(3)11-10-29(64-39-35(56)30(51)24(50)19-60-39)44(4,21-49)27(43)9-12-46(28,45)6/h7,23-40,48-58H,8-21H2,1-6H3/t23-,24+,25+,26+,27+,28+,29-,30+,31+,32+,33-,34-,35-,36+,37+,38+,39-,40-,43-,44-,45+,46+,47-/m0/s1",CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@@H](O)[C@@H](O)[C@@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C47H76O18,pos_1_sodium,928.503165592,CCRXMHCQWYVXTE,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lonicera nigra,179065.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera nigra'],8,0,8.0 162040,7102,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.29383662,ISDB,BFSRJRKZZSIEFP-MOHLSBLISA-N,"InChI=1S/C30H46O2/c1-24(2)14-16-29-17-15-28(7)27(6)12-8-20-25(3,4)23(31)10-11-26(20,5)21(27)9-13-30(28,32-19-29)22(29)18-24/h9,13,20-22H,8,10-12,14-19H2,1-7H3/t20-,21-,22-,26+,27-,28+,29-,30-/m1/s1",CC1(C)CC[C@@]23CC[C@@]4(C)[C@]5(C)CC[C@@H]6C(C)(C)C(=O)CC[C@]6(C)[C@H]5C=C[C@@]4(OC2)[C@@H]3C1,C30H46O2,,438.349780712,BFSRJRKZZSIEFP,Terpenoids,Triterpenoids,Oleanane triterpenoids,Viburnum odoratissimum var. awabuki,90825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Adoxaceae'],['Unknown'],['Viburnum'],['Viburnum awabuki'],5,3,7.675346493721008 162035,7101,-1,,,,0.49632645,ISDB,AOXSSLNAZRFCMH-HXMTWWTKSA-N,"InChI=1S/C42H46O23/c1-15-28(49)34(55)39(65-41-36(57)33(54)30(51)25(63-41)14-58-26(48)9-3-16-2-8-20(45)21(46)10-16)42(59-15)60-19-11-22(47)27-23(12-19)61-37(17-4-6-18(44)7-5-17)38(31(27)52)64-40-35(56)32(53)29(50)24(13-43)62-40/h2-12,15,24-25,28-30,32-36,39-47,49-51,53-57H,13-14H2,1H3/b9-3+/t15-,24+,25+,28-,29+,30+,32-,33-,34+,35+,36+,39+,40-,41-,42-/m0/s1",C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(-c4ccc(O)cc4)oc3c2)[C@H](O[C@@H]2O[C@H](COC(=O)/C=C/c3ccc(O)c(O)c3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O,C42H46O23,,918.242987732,AOXSSLNAZRFCMH,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Aconitum jaluense,549539.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum jaluense'],4,0,5.9853057861328125 162036,7101,-1,,,,0.49632645,ISDB,AOXSSLNAZRFCMH-HXMTWWTKSA-N,"InChI=1S/C42H46O23/c1-15-28(49)34(55)39(65-41-36(57)33(54)30(51)25(63-41)14-58-26(48)9-3-16-2-8-20(45)21(46)10-16)42(59-15)60-19-11-22(47)27-23(12-19)61-37(17-4-6-18(44)7-5-17)38(31(27)52)64-40-35(56)32(53)29(50)24(13-43)62-40/h2-12,15,24-25,28-30,32-36,39-47,49-51,53-57H,13-14H2,1H3/b9-3+/t15-,24+,25+,28-,29+,30+,32-,33-,34+,35+,36+,39+,40-,41-,42-/m0/s1",C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(-c4ccc(O)cc4)oc3c2)[C@H](O[C@@H]2O[C@H](COC(=O)/C=C/c3ccc(O)c(O)c3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O,C42H46O23,,918.242987732,AOXSSLNAZRFCMH,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Aconitum chiisanense,921879.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum chiisanense'],4,0,5.9853057861328125 162030,7100,11,Alkaloids,Monoterpenoids,Iridoids monoterpenoids,0.37924913,ISDB,IIRBCWLZHUJBBE-FQEVSTJZSA-N,"InChI=1S/C33H31NO7/c1-7-32(2,3)25-29-17(12-13-22(35)40-29)27(36)24-20(15-33(4,5)41-30(24)25)23-19(31(38)39-6)14-18-16-10-8-9-11-21(16)34-26(18)28(23)37/h7-14,20,34,36-37H,1,15H2,2-6H3/t20-/m0/s1",C=CC(C)(C)c1c2c(c(O)c3ccc(=O)oc13)[C@H](c1c(C(=O)OC)cc3c([nH]c4ccccc43)c1O)CC(C)(C)O2,C33H31NO7,,553.210052332,IIRBCWLZHUJBBE,Shikimates and Phenylpropanoids,Coumarins,Pyranocoumarins,Clausena excavata,571298.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Clausena'],['Clausena excavata'],4,0,5.516996502876282 162025,7098,1133,Alkaloids,Lysine alkaloids,Indolizidine alkaloids,0.3405713,ISDB,GGVTWFRUJRJVGT-GMVOTWDCSA-N,"InChI=1S/C20H23NO5/c1-23-13-6-5-12-7-19(22)21-11-18(26-4)14-8-16(24-2)17(25-3)9-15(14)20(12,21)10-13/h5-9,13,18H,10-11H2,1-4H3/t13-,18-,20-/m0/s1",COc1cc2c(cc1OC)[C@]13C[C@@H](OC)C=CC1=CC(=O)N3C[C@@H]2OC,C20H23NO5,,357.157622836,GGVTWFRUJRJVGT,Alkaloids,Lysine alkaloids,Indolizidine alkaloids,Erythrina lysistemon,284184.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Erythrina'],['Erythrina lysistemon'],4,3,6.862285256385803 162002,7097,207,Shikimates and Phenylpropanoids,Tyrosine alkaloids,Amarylidaceae alkaloids,0.8188029,ISDB,GGLBCWZWKMDRKD-NOLJZWGESA-N,"InChI=1S/C16H19NO2/c1-17-8-7-16-6-5-12(18)9-14(16)19-13-4-2-3-11(10-17)15(13)16/h2-6,12,14,18H,7-10H2,1H3/t12-,14-,16-/m0/s1",CN1CC[C@@]23C=C[C@H](O)C[C@@H]2Oc2cccc(c23)C1,C16H19NO2,,257.141578848,GGLBCWZWKMDRKD,Alkaloids,Tyrosine alkaloids,Amarylidaceae alkaloids,Lycoris radiata,488729.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Unknown'],['Lycoris'],['Lycoris radiata'],4,3,8.775211572647095 161970,7096,-1,,,,0.68586093,ISDB,QTZPBQMTXNEKRX-UZZXJJOXSA-N,"InChI=1S/C22H28N2O5/c1-12(25)15-8-13-10-21(20(27)29-3)18(15)24(11-13)7-6-22(21)19(26)16-9-14(28-2)4-5-17(16)23-22/h4-5,9,12-13,15,18,23,25H,6-8,10-11H2,1-3H3/t12-,13-,15-,18+,21-,22-/m0/s1",COC(=O)[C@]12C[C@@H]3C[C@@H]([C@H](C)O)[C@H]1N(CC[C@@]21Nc2ccc(OC)cc2C1=O)C3,C22H28N2O5,,400.199821996,QTZPBQMTXNEKRX,Alkaloids,Tyrosine alkaloids,Amarylidaceae alkaloids,Haemanthus montanus,991992.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Unknown'],['Haemanthus'],['Haemanthus montanus'],4,0,6.743443727493286 161971,7096,-1,,,,0.68586093,ISDB,QTZPBQMTXNEKRX-UZZXJJOXSA-N,"InChI=1S/C22H28N2O5/c1-12(25)15-8-13-10-21(20(27)29-3)18(15)24(11-13)7-6-22(21)19(26)16-9-14(28-2)4-5-17(16)23-22/h4-5,9,12-13,15,18,23,25H,6-8,10-11H2,1-3H3/t12-,13-,15-,18+,21-,22-/m0/s1",COC(=O)[C@]12C[C@@H]3C[C@@H]([C@H](C)O)[C@H]1N(CC[C@@]21Nc2ccc(OC)cc2C1=O)C3,C22H28N2O5,,400.199821996,QTZPBQMTXNEKRX,Alkaloids,Tyrosine alkaloids,Amarylidaceae alkaloids,Tabernaemontana rupicola,11073.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Tabernaemontaneae'],['Tabernaemontana'],['Tabernaemontana rupicola'],4,0,6.743443727493286 161972,7096,-1,,,,0.68586093,ISDB,QTZPBQMTXNEKRX-UHFFFAOYSA-N,"InChI=1S/C22H28N2O5/c1-12(25)15-8-13-10-21(20(27)29-3)18(15)24(11-13)7-6-22(21)19(26)16-9-14(28-2)4-5-17(16)23-22/h4-5,9,12-13,15,18,23,25H,6-8,10-11H2,1-3H3",COC(=O)C12CC3CC(C(C)O)C1N(CCC21Nc2ccc(OC)cc2C1=O)C3,C22H28N2O5,,400.199821996,QTZPBQMTXNEKRX,Alkaloids,Tyrosine alkaloids,Amarylidaceae alkaloids,Tabernaemontana hystrix,836904.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Tabernaemontaneae'],['Tabernaemontana'],['Tabernaemontana hystrix'],4,0,6.743443727493286 161973,7096,-1,,,,0.68586093,ISDB,QTZPBQMTXNEKRX-UHFFFAOYSA-N,"InChI=1S/C22H28N2O5/c1-12(25)15-8-13-10-21(20(27)29-3)18(15)24(11-13)7-6-22(21)19(26)16-9-14(28-2)4-5-17(16)23-22/h4-5,9,12-13,15,18,23,25H,6-8,10-11H2,1-3H3",COC(=O)C12CC3CC(C(C)O)C1N(CCC21Nc2ccc(OC)cc2C1=O)C3,C22H28N2O5,,400.199821996,QTZPBQMTXNEKRX,Alkaloids,Tyrosine alkaloids,Amarylidaceae alkaloids,Tabernaemontana apoda,6067990.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Tabernaemontaneae'],['Tabernaemontana'],['Tabernaemontana apoda'],4,0,6.743443727493286 161964,7095,-1,,,,0.5897015,ISDB,UKIOTQZYKUPESG-JEOXALJRSA-N,"InChI=1S/C20H19NO4/c1-11-13-2-3-16-20(25-10-22-16)15(13)8-21-5-4-12-6-17-18(24-9-23-17)7-14(12)19(11)21/h2-3,6-7,11,19H,4-5,8-10H2,1H3/t11-,19+/m0/s1",C[C@H]1c2ccc3c(c2CN2CCc4cc5c(cc4[C@@H]12)OCO5)OCO3,C20H19NO4,,337.13140808799994,UKIOTQZYKUPESG,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis remota,5727913.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis remota'],4,0,6.358805894851685 161965,7095,-1,,,,0.5897015,ISDB,UKIOTQZYKUPESG-WYRIXSBYSA-N,"InChI=1S/C20H19NO4/c1-11-13-2-3-16-20(25-10-22-16)15(13)8-21-5-4-12-6-17-18(24-9-23-17)7-14(12)19(11)21/h2-3,6-7,11,19H,4-5,8-10H2,1H3/t11-,19+/m1/s1",C[C@@H]1c2ccc3c(c2CN2CCc4cc5c(cc4[C@H]12)OCO5)OCO3,C20H19NO4,,337.131408088,UKIOTQZYKUPESG,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis cava,5715966.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis cava'],4,0,6.358805894851685 161966,7095,-1,,,,0.5897015,ISDB,UKIOTQZYKUPESG-WLRWDXFRSA-N,"InChI=1S/C20H19NO4/c1-11-13-2-3-16-20(25-10-22-16)15(13)8-21-5-4-12-6-17-18(24-9-23-17)7-14(12)19(11)21/h2-3,6-7,11,19H,4-5,8-10H2,1H3/t11-,19-/m0/s1",C[C@H]1c2ccc3c(c2CN2CCc4cc5c(cc4[C@H]12)OCO5)OCO3,C20H19NO4,,337.131408088,UKIOTQZYKUPESG,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Ceratocapnos heterocarpa,538846.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Ceratocapnos'],['Ceratocapnos heterocarpa'],4,0,6.358805894851685 161967,7095,-1,,,,0.5897015,ISDB,UKIOTQZYKUPESG-WLRWDXFRSA-N,"InChI=1S/C20H19NO4/c1-11-13-2-3-16-20(25-10-22-16)15(13)8-21-5-4-12-6-17-18(24-9-23-17)7-14(12)19(11)21/h2-3,6-7,11,19H,4-5,8-10H2,1H3/t11-,19-/m0/s1",C[C@H]1c2ccc3c(c2CN2CCc4cc5c(cc4[C@H]12)OCO5)OCO3,C20H19NO4,,337.131408088,UKIOTQZYKUPESG,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis heterocarpa,5727953.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis heterocarpa'],4,0,6.358805894851685 161956,7093,-1,,,,0.0,MS1_match,NGYDXZFNGHZVIS-SKMYYDQESA-N,"InChI=1S/C24H34O10/c1-12(2)7-19(27)34-23-20-17(8-18(32-14(5)25)24(20)11-31-24)16(10-30-23)9-29-22(28)21(13(3)4)33-15(6)26/h10,12-13,17-18,20-21,23H,7-9,11H2,1-6H3/t17-,18+,20-,21-,23+,24-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)[C@H](OC(C)=O)C(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C24H34O10,pos_1_1proton1acetonitrile,482.215197288,NGYDXZFNGHZVIS,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana pulvinata,7625148.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana pulvinata'],6,0,6.0 161957,7093,-1,,,,0.0,MS1_match,UPWQTFMGRAGKCN-GMHONNGPSA-N,"InChI=1S/C24H34O10/c1-13(2)7-20(27)33-19-9-18-17(10-30-15(5)25)11-31-23(34-21(28)8-14(3)4)22(18)24(19,29)12-32-16(6)26/h9,11,13-14,19,22-23,29H,7-8,10,12H2,1-6H3/t19-,22+,23-,24+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]2(O)COC(C)=O,C24H34O10,pos_1_1proton1acetonitrile,482.21519728799984,UPWQTFMGRAGKCN,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,0,6.0 161958,7093,-1,,,,0.0,MS1_match,UPWQTFMGRAGKCN-GMHONNGPSA-N,"InChI=1S/C24H34O10/c1-13(2)7-20(27)33-19-9-18-17(10-30-15(5)25)11-31-23(34-21(28)8-14(3)4)22(18)24(19,29)12-32-16(6)26/h9,11,13-14,19,22-23,29H,7-8,10,12H2,1-6H3/t19-,22+,23-,24+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]2(O)COC(C)=O,C24H34O10,pos_1_1proton1acetonitrile,482.21519728799984,UPWQTFMGRAGKCN,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana alliariifolia,5746411.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana alliariifolia'],6,0,6.0 161959,7093,-1,,,,0.0,MS1_match,JCQNBCPVSOEFPG-GMHONNGPSA-N,"InChI=1S/C24H34O10/c1-13(2)7-20(27)30-10-17-11-31-23(34-21(28)8-14(3)4)22-18(17)9-19(33-16(6)26)24(22,29)12-32-15(5)25/h9,11,13-14,19,22-23,29H,7-8,10,12H2,1-6H3/t19-,22+,23-,24+/m0/s1",CC(=O)OC[C@@]1(O)[C@@H](OC(C)=O)C=C2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]21,C24H34O10,pos_1_1proton1acetonitrile,482.215197288,JCQNBCPVSOEFPG,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia rupestris,1035977.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia rupestris'],6,0,6.0 161949,7092,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,NXJMINIPVKJRHD-CXGIBTINSA-N,"InChI=1S/C47H76O17/c1-22-30(51)33(54)35(56)38(60-22)63-37-31(52)25(50)20-59-40(37)62-29-11-12-43(4)27(44(29,5)21-49)10-13-46(7)28(43)9-8-23-24-18-42(2,3)14-16-47(24,17-15-45(23,46)6)41(58)64-39-36(57)34(55)32(53)26(19-48)61-39/h8,22,24-40,48-57H,9-21H2,1-7H3/t22-,24-,25-,26+,27+,28+,29-,30-,31-,32+,33+,34-,35+,36+,37+,38-,39-,40-,43-,44-,45+,46+,47-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)CC[C@]6(C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]45C)[C@]3(C)CO)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C47H76O17,pos_1_1proton1ammonium,912.5082509720004,NXJMINIPVKJRHD,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 161950,7092,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,NXJMINIPVKJRHD-CXGIBTINSA-N,"InChI=1S/C47H76O17/c1-22-30(51)33(54)35(56)38(60-22)63-37-31(52)25(50)20-59-40(37)62-29-11-12-43(4)27(44(29,5)21-49)10-13-46(7)28(43)9-8-23-24-18-42(2,3)14-16-47(24,17-15-45(23,46)6)41(58)64-39-36(57)34(55)32(53)26(19-48)61-39/h8,22,24-40,48-57H,9-21H2,1-7H3/t22-,24-,25-,26+,27+,28+,29-,30-,31-,32+,33+,34-,35+,36+,37+,38-,39-,40-,43-,44-,45+,46+,47-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)CC[C@]6(C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]45C)[C@]3(C)CO)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C47H76O17,pos_1_1proton1ammonium,912.5082509720004,NXJMINIPVKJRHD,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 161951,7092,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,NFIQKUQYFSTGFU-VWZQPUASSA-N,"InChI=1S/C47H76O17/c1-42(2)14-16-47(41(58)64-40-37(57)34(54)32(52)26(62-40)21-60-38-36(56)33(53)31(51)25(19-48)61-38)17-15-45(6)22(23(47)18-42)8-9-28-44(5)12-11-29(43(3,4)27(44)10-13-46(28,45)7)63-39-35(55)30(50)24(49)20-59-39/h8,23-40,48-57H,9-21H2,1-7H3/t23-,24-,25+,26+,27-,28+,29-,30-,31+,32+,33-,34-,35+,36+,37+,38+,39-,40-,44-,45+,46+,47-/m0/s1",CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C47H76O17,pos_1_1proton1ammonium,912.5082509720002,NFIQKUQYFSTGFU,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 161945,7091,145,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.21877718,ISDB,VZLFSBWCXJMBOJ-UHFFFAOYSA-N,"InChI=1S/C27H32O4/c1-6-27(4,5)22-14-19(23(28)16-24(22)29)9-7-8-18-15-25(30)26-21(12-13-31-26)20(18)11-10-17(2)3/h6,10,12-16,28-30H,1,7-9,11H2,2-5H3",C=CC(C)(C)c1cc(CCCc2cc(O)c3occc3c2CC=C(C)C)c(O)cc1O,C27H32O4,,420.230059504,VZLFSBWCXJMBOJ,Shikimates and Phenylpropanoids,,,Broussonetia papyrifera,311274.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Broussonetia'],['Broussonetia papyrifera'],4,0,4.87510871887207 161946,7091,145,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.21877718,ISDB,VZLFSBWCXJMBOJ-UHFFFAOYSA-N,"InChI=1S/C27H32O4/c1-6-27(4,5)22-14-19(23(28)16-24(22)29)9-7-8-18-15-25(30)26-21(12-13-31-26)20(18)11-10-17(2)3/h6,10,12-16,28-30H,1,7-9,11H2,2-5H3",C=CC(C)(C)c1cc(CCCc2cc(O)c3occc3c2CC=C(C)C)c(O)cc1O,C27H32O4,,420.230059504,VZLFSBWCXJMBOJ,Shikimates and Phenylpropanoids,,,Broussonetia kazinoki,734176.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Broussonetia'],['Broussonetia kazinoki'],4,0,4.87510871887207 161931,7089,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.26940334,ISDB,OKDOOPKXOAEBFT-HBCLTNMHSA-N,"InChI=1S/C27H38O3/c1-20(11-7-12-22(3)19-28)9-6-10-21(2)13-8-15-27(5)16-14-24-18-25(29)17-23(4)26(24)30-27/h9,12-13,17-19,29H,6-8,10-11,14-16H2,1-5H3/b20-9+,21-13+,22-12+/t27-/m0/s1",C/C(C=O)=C\CC/C(C)=C/CC/C(C)=C/CC[C@@]1(C)CCc2cc(O)cc(C)c2O1,C27H38O3,,410.282095076,OKDOOPKXOAEBFT,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Garcinia kola,154999.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Clusiaceae'],['Garcinieae'],['Garcinia'],['Garcinia kola'],4,1,5.577613353729248 161899,7088,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.2816341,ISDB,YEQBGJNMHDZXRG-NMTUBSNHSA-N,"InChI=1S/C27H40O2/c1-17-10-14-27(28-16-17)18(2)24-23(29-27)15-22-20-9-8-19-7-5-6-12-25(19,3)21(20)11-13-26(22,24)4/h5,7-8,17-18,20-24H,6,9-16H2,1-4H3/t17-,18+,20-,21-,22-,23+,24+,25-,26+,27-/m0/s1",C[C@H]1CC[C@]2(OC1)O[C@@H]1C[C@H]3[C@H]4CC=C5C=CCC[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]1[C@H]2C,C27H40O2,,396.30283051999993,YEQBGJNMHDZXRG,Terpenoids,Steroids,Spirostane steroids,Trigonella foenum-graecum,1007994.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Trigonella'],['Trigonella foenum-graecum'],4,1,5.6265363693237305 161873,7086,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.45567945,ISDB,MYQAIYGVAHDZRD-JUIQTESCSA-N,"InChI=1S/C29H44O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-11,13,19-21,23,25,27,30H,7,12,14-18H2,1-6H3/b9-8+/t20-,21-,23+,25-,27+,28+,29-/m1/s1",CC[C@H](/C=C/[C@@H](C)[C@H]1CC=C2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C,C29H44O,,408.339216028,MYQAIYGVAHDZRD,Terpenoids,Steroids,Ergostane steroids,Actinidia chinensis var. deliciosa,279986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Actinidiaceae'],['Unknown'],['Actinidia'],['Actinidia deliciosa'],4,1,6.322717785835266 161871,7081,29,Terpenoids,Triterpenoids,"Carotenoids (C40, Ψ-Ψ)",0.52407026,ISDB,,,,,,,PEQAFOAATUJIMD,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.096281051635742 161860,7080,-1,,,,0.6861573,ISDB,RXARZHLXLNWPFG-DGCLKSJQSA-N,"InChI=1S/C14H20/c1-9-5-4-6-10-7-8-11-13(12(9)10)14(11,2)3/h6,11,13H,4-5,7-8H2,1-3H3/t11-,13-/m1/s1",CC1=C2C(=CCC1)CC[C@@H]1[C@H]2C1(C)C,C14H20,,188.15650064,RXARZHLXLNWPFG,Terpenoids,Sesquiterpenoids,Aromadendrane sesquiterpenoids,Disynaphia multicrenulata,5920831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Disynaphia'],['Disynaphia multicrenulata'],4,0,6.744629144668579 157803,7079,-1,,,,0.6582409,ISDB,WUOACPNHFRMFPN-UHFFFAOYSA-N,"InChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3",CC1=CCC(C(C)(C)O)CC1,C10H18O,,154.135765196,WUOACPNHFRMFPN,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,9.63296365737915 157802,7078,-1,,,,0.0,MS1_match,SFLJKERWIWKVDG-TVAJMVSCSA-N,"InChI=1S/C16H26O10/c1-15(22)7-5-24-14(21)16(2,23)6(7)3-9(15)26-13-12(20)11(19)10(18)8(4-17)25-13/h6-13,17-20,22-23H,3-5H2,1-2H3/t6-,7-,8+,9-,10+,11-,12+,13-,15-,16-/m0/s1",C[C@@]1(O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C[C@H]2[C@@H]1COC(=O)[C@@]2(C)O,C16H26O10,pos_1_1proton1acetonitrile,378.152597032,SFLJKERWIWKVDG,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia scabra,68239.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia scabra'],6,0,6.0 157256,7077,-1,,,,0.4602166,ISDB,WCXZTKJFWJFMJG-UHFFFAOYSA-N,"InChI=1S/C30H46O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-22,31H,8-18H2,1-6H3,(H,33,34)",CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(=O)C(C)(CO)C5CCC43C)C2C1,C30H46O4,,470.339609952,WCXZTKJFWJFMJG,Terpenoids,Triterpenoids,Oleanane triterpenoids,Pulsatilla chinensis,34150.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Pulsatilla'],['Pulsatilla chinensis'],7,0,8.840866446495056 157257,7077,-1,,,,0.4602166,ISDB,WCXZTKJFWJFMJG-AOIBKUJJSA-N,"InChI=1S/C30H46O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-22,31H,8-18H2,1-6H3,(H,33,34)/t20-,21+,22+,26-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H46O4,,470.33960995199993,WCXZTKJFWJFMJG,Terpenoids,Triterpenoids,Oleanane triterpenoids,Pulsatilla cernua,542352.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Pulsatilla'],['Pulsatilla cernua'],7,0,8.840866446495056 157258,7077,-1,,,,0.4602166,ISDB,WCXZTKJFWJFMJG-AOIBKUJJSA-N,"InChI=1S/C30H46O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-22,31H,8-18H2,1-6H3,(H,33,34)/t20-,21+,22+,26-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H46O4,,470.33960995199993,WCXZTKJFWJFMJG,Terpenoids,Triterpenoids,Oleanane triterpenoids,Pulsatilla dahurica,972663.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Pulsatilla'],['Pulsatilla dahurica'],7,0,8.840866446495056 157249,7073,65,Alkaloids,Lysine alkaloids,N-acyl amines,0.0,MS1_match,GEWDNTWNSAZUDX-WQMVXFAESA-N,"InChI=1S/C13H20O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h4-5,10-11H,3,6-9H2,1-2H3/b5-4-/t10-,11-/m1/s1",CC/C=C\C[C@H]1C(=O)CC[C@@H]1CC(=O)OC,C13H20O3,pos_1_1proton1acetonitrile,224.1412445,GEWDNTWNSAZUDX,Fatty acids,Octadecanoids,Jasmonic acids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 157195,7070,100,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,DBODJJZRZFZBBD-RIVIBFSZSA-N,"InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19+,20+,21-,22?,23+,24-,25+/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@]34C1[C@H]([C@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C25H41NO6,pos_2_2proton3acetonitrile,451.2933880319999,DBODJJZRZFZBBD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum napellus,586780.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum napellus'],6,0,6.0 157196,7070,100,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,DBODJJZRZFZBBD-RIVIBFSZSA-N,"InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19+,20+,21-,22?,23+,24-,25+/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@]34C1[C@H]([C@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C25H41NO6,pos_2_2proton3acetonitrile,451.2933880319999,DBODJJZRZFZBBD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum henryi,5511349.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum henryi'],6,0,6.0 157197,7070,100,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,DBODJJZRZFZBBD-RIVIBFSZSA-N,"InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19+,20+,21-,22?,23+,24-,25+/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@]34C1[C@H]([C@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C25H41NO6,pos_2_2proton3acetonitrile,451.2933880319999,DBODJJZRZFZBBD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum hemsleyanum,511674.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum hemsleyanum'],6,0,6.0 157198,7070,100,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,DBODJJZRZFZBBD-WDTQSPAGSA-N,"InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18?,19+,20+,21-,22?,23+,24-,25?/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)C34C1C([C@H](OC)[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C25H41NO6,pos_2_2proton3acetonitrile,451.293388032,DBODJJZRZFZBBD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum geniculatum,97187.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum geniculatum'],6,0,6.0 157199,7070,100,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,DBODJJZRZFZBBD-RIVIBFSZSA-N,"InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19+,20+,21-,22?,23+,24-,25+/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@]34C1[C@H]([C@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C25H41NO6,pos_2_2proton3acetonitrile,451.2933880319999,DBODJJZRZFZBBD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum forrestii,556432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum forrestii'],6,0,6.0 157200,7070,100,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,DBODJJZRZFZBBD-RIVIBFSZSA-N,"InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19+,20+,21-,22?,23+,24-,25+/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@]34C1[C@H]([C@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C25H41NO6,pos_2_2proton3acetonitrile,451.2933880319999,DBODJJZRZFZBBD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum nevadense,3944952.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum burnatii'],6,0,6.0 157201,7070,100,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,DBODJJZRZFZBBD-RIVIBFSZSA-N,"InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19+,20+,21-,22?,23+,24-,25+/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@]34C1[C@H]([C@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C25H41NO6,pos_2_2proton3acetonitrile,451.2933880319999,DBODJJZRZFZBBD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum burnatii,3944952.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum burnatii'],6,0,6.0 157202,7070,100,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,DBODJJZRZFZBBD-XXYWQWTJSA-N,"InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19+,20+,21-,22-,23+,24-,25+/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H]([C@H](OC)[C@H]23)[C@@H]14,C25H41NO6,pos_2_2proton3acetonitrile,451.293388032,DBODJJZRZFZBBD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum balfourii,698586.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum balfourii'],6,0,6.0 157203,7070,100,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,DBODJJZRZFZBBD-XXYWQWTJSA-N,"InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19+,20+,21-,22-,23+,24-,25+/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H]([C@H](OC)[C@H]23)[C@@H]14,C25H41NO6,pos_2_2proton3acetonitrile,451.293388032,DBODJJZRZFZBBD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum lethale,6131432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum lethale'],6,0,6.0 157204,7070,100,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,DBODJJZRZFZBBD-UHFFFAOYSA-N,"InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3",CCN1CC2(COC)CCC(OC)C34C5CC6C(OC)CC(O)(C5C6O)C(C(OC)C23)C14,C25H41NO6,pos_2_2proton3acetonitrile,451.2933880319999,DBODJJZRZFZBBD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum japonicum,5511352.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum japonicum'],6,0,6.0 157205,7070,100,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,DBODJJZRZFZBBD-UHFFFAOYSA-N,"InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3",CCN1CC2(COC)CCC(OC)C34C5CC6C(OC)CC(O)(C5C6O)C(C(OC)C23)C14,C25H41NO6,pos_2_2proton3acetonitrile,451.2933880319999,DBODJJZRZFZBBD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum carmichaelii,549536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum carmichaelii'],6,0,6.0 157206,7070,100,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,DBODJJZRZFZBBD-UHFFFAOYSA-N,"InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3",CCN1CC2(COC)CCC(OC)C34C5CC6C(OC)CC(O)(C5C6O)C(C(OC)C23)C14,C25H41NO6,pos_2_2proton3acetonitrile,451.2933880319999,DBODJJZRZFZBBD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum triphyllum,6131530.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum triphyllum'],6,0,6.0 157207,7070,100,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,DBODJJZRZFZBBD-UHFFFAOYSA-N,"InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3",CCN1CC2(COC)CCC(OC)C34C5CC6C(OC)CC(O)(C5C6O)C(C(OC)C23)C14,C25H41NO6,pos_2_2proton3acetonitrile,451.2933880319999,DBODJJZRZFZBBD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum kongboense,723190.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum kongboense'],6,0,6.0 157208,7070,100,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,DBODJJZRZFZBBD-UHFFFAOYSA-N,"InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3",CCN1CC2(COC)CCC(OC)C34C5CC6C(OC)CC(O)(C5C6O)C(C(OC)C23)C14,C25H41NO6,pos_2_2proton3acetonitrile,451.2933880319999,DBODJJZRZFZBBD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum tatsienense,413958.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum tatsienense'],6,0,6.0 157209,7070,100,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,DBODJJZRZFZBBD-ISYHQGQGSA-N,"InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3/t13?,14-,15+,16?,17-,18?,19?,20?,21-,22?,23+,24-,25?/m1/s1",CCN1C[C@]2(COC)CCC(OC)C34C1C(C(OC)[C@@H]32)[C@@]1(O)C[C@H](OC)C2C[C@@H]4[C@@H]1C2O,C25H41NO6,pos_2_2proton3acetonitrile,451.293388032,DBODJJZRZFZBBD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum kusnezoffii,141633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum kusnezoffii'],6,0,6.0 157210,7070,100,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,DBODJJZRZFZBBD-RIVIBFSZSA-N,"InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19+,20+,21-,22?,23+,24-,25+/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@]34C1[C@H]([C@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C25H41NO6,pos_2_2proton3acetonitrile,451.2933880319999,DBODJJZRZFZBBD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Staphisagria macrosperma,969162.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Staphisagria'],['Staphisagria macrosperma'],6,0,6.0 157211,7070,100,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,DBODJJZRZFZBBD-RIVIBFSZSA-N,"InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19+,20+,21-,22?,23+,24-,25+/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@]34C1[C@H]([C@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C25H41NO6,pos_2_2proton3acetonitrile,451.2933880319999,DBODJJZRZFZBBD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium staphisagria,969162.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Staphisagria'],['Staphisagria macrosperma'],6,0,6.0 157212,7070,100,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,DBODJJZRZFZBBD-VYPGSPFBSA-N,"InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3/t13-,14-,15-,16-,17-,18+,19-,20-,21-,22-,23+,24-,25+/m1/s1",CCN1C[C@]2(COC)CC[C@@H](OC)[C@@]34[C@@H]5C[C@H]6[C@@H](O)[C@@H]5[C@](O)(C[C@H]6OC)[C@@H]([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO6,pos_2_2proton3acetonitrile,451.293388032,DBODJJZRZFZBBD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium stapeliosum,6131808.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium stapeliosum'],6,0,6.0 157213,7070,100,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,DBODJJZRZFZBBD-RIVIBFSZSA-N,"InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19+,20+,21-,22?,23+,24-,25+/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@]34C1[C@H]([C@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C25H41NO6,pos_2_2proton3acetonitrile,451.2933880319999,DBODJJZRZFZBBD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum,756111.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Unknown'],6,0,6.0 157214,7070,100,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,DBODJJZRZFZBBD-RIVIBFSZSA-N,"InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19+,20+,21-,22?,23+,24-,25+/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@]34C1[C@H]([C@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C25H41NO6,pos_2_2proton3acetonitrile,451.2933880319999,DBODJJZRZFZBBD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum episcopale,50065.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum episcopale'],6,0,6.0 157215,7070,100,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,JBMHRENUZHIXEX-UHFFFAOYSA-N,"InChI=1S/C25H41NO6/c1-7-26-12-22(2)9-8-16(30-4)24-14-10-13-15(29-3)11-23(27,17(14)18(13)31-5)25(28,21(24)26)20(32-6)19(22)24/h13-21,27-28H,7-12H2,1-6H3",CCN1CC2(C)CCC(OC)C34C5CC6C(OC)CC(O)(C5C6OC)C(O)(C(OC)C23)C14,C25H41NO6,pos_2_2proton3acetonitrile,451.293388032,JBMHRENUZHIXEX,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium grandiflorum,1004833.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium grandiflorum'],6,0,6.0 157216,7070,100,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,JBMHRENUZHIXEX-KCOJYJFYSA-N,"InChI=1S/C25H41NO6/c1-7-26-12-22(2)9-8-16(30-4)24-14-10-13-15(29-3)11-23(27,17(14)18(13)31-5)25(28,21(24)26)20(32-6)19(22)24/h13-21,27-28H,7-12H2,1-6H3/t13-,14-,15+,16+,17-,18-,19+,20+,21-,22-,23-,24-,25+/m0/s1",CCN1C[C@]2(C)CC[C@@H](OC)[C@@]34[C@@H]2[C@@H](OC)[C@@](O)([C@@H]13)[C@]1(O)C[C@@H](OC)[C@@H]2C[C@H]4[C@H]1[C@H]2OC,C25H41NO6,pos_2_2proton3acetonitrile,451.293388032,JBMHRENUZHIXEX,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium dissectum,6131641.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium dissectum'],6,0,6.0 157217,7070,100,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,JBMHRENUZHIXEX-UHFFFAOYSA-N,"InChI=1S/C25H41NO6/c1-7-26-12-22(2)9-8-16(30-4)24-14-10-13-15(29-3)11-23(27,17(14)18(13)31-5)25(28,21(24)26)20(32-6)19(22)24/h13-21,27-28H,7-12H2,1-6H3",CCN1CC2(C)CCC(OC)C34C5CC6C(OC)CC(O)(C5C6OC)C(O)(C(OC)C23)C14,C25H41NO6,pos_2_2proton3acetonitrile,451.293388032,JBMHRENUZHIXEX,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium confusum,6131625.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium confusum'],6,0,6.0 157218,7070,100,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,VBOMZXYQMCEYLU-XXYWQWTJSA-N,"InChI=1S/C25H41NO6/c1-6-26-11-23(12-27)8-7-16(30-3)25-14-9-13-15(29-2)10-24(28,17(14)19(13)31-4)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19+,20+,21-,22-,23+,24-,25+/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H]([C@H](OC)[C@H]23)[C@@H]14,C25H41NO6,pos_2_2proton3acetonitrile,451.293388032,VBOMZXYQMCEYLU,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum septentrionale,586782.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum septentrionale'],6,0,6.0 157219,7070,100,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,DBODJJZRZFZBBD-RIVIBFSZSA-N,"InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19+,20+,21-,22?,23+,24-,25+/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@]34C1[C@H]([C@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C25H41NO6,pos_2_2proton3acetonitrile,451.2933880319999,DBODJJZRZFZBBD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum sungpanense,1042521.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum sungpanense'],6,0,6.0 157220,7070,100,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,DBODJJZRZFZBBD-XXYWQWTJSA-N,"InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19+,20+,21-,22-,23+,24-,25+/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H]([C@H](OC)[C@H]23)[C@@H]14,C25H41NO6,pos_2_2proton3acetonitrile,451.293388032,DBODJJZRZFZBBD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum transsectum,909685.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum transsectum'],6,0,6.0 157221,7070,100,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,DFEZSQMRHFPRME-LNEJQENQSA-N,"InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(27)25-14-9-13-15(30-3)10-24(32-5,17(14)19(13)28)18(22(25)26)20(31-4)21(23)25/h13-22,27-28H,6-12H2,1-5H3/t13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23-,24-,25-/m0/s1",CCN1C[C@]2(COC)CC[C@H](O)[C@@]34[C@@H]2[C@@H](OC)[C@@H]([C@@H]13)[C@]1(OC)C[C@H](OC)[C@@H]2C[C@H]4[C@H]1[C@H]2O,C25H41NO6,pos_2_2proton3acetonitrile,451.293388032,DFEZSQMRHFPRME,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium hohenackeri,591154.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitella'],['Aconitella hohenackeri'],6,0,6.0 157222,7070,100,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,DBODJJZRZFZBBD-WDTQSPAGSA-N,"InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18?,19+,20+,21-,22?,23+,24-,25?/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)C34C1C([C@H](OC)[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C25H41NO6,pos_2_2proton3acetonitrile,451.293388032,DBODJJZRZFZBBD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum volubile,549540.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum volubile'],6,0,6.0 157223,7070,100,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,DBODJJZRZFZBBD-WDTQSPAGSA-N,"InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18?,19+,20+,21-,22?,23+,24-,25?/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)C34C1C([C@H](OC)[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C25H41NO6,pos_2_2proton3acetonitrile,451.293388032,DBODJJZRZFZBBD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum volubile,549540.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum volubile'],6,0,6.0 157224,7070,100,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,DBODJJZRZFZBBD-RIVIBFSZSA-N,"InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19+,20+,21-,22?,23+,24-,25+/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@]34C1[C@H]([C@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C25H41NO6,pos_2_2proton3acetonitrile,451.2933880319999,DBODJJZRZFZBBD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum napellus,586780.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum napellus'],6,0,6.0 157225,7070,100,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,DBODJJZRZFZBBD-XXYWQWTJSA-N,"InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19+,20+,21-,22-,23+,24-,25+/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H]([C@H](OC)[C@H]23)[C@@H]14,C25H41NO6,pos_2_2proton3acetonitrile,451.293388032,DBODJJZRZFZBBD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum transsectum,909685.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum transsectum'],6,0,6.0 157226,7070,100,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,DBODJJZRZFZBBD-RIVIBFSZSA-N,"InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19+,20+,21-,22?,23+,24-,25+/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@]34C1[C@H]([C@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C25H41NO6,pos_2_2proton3acetonitrile,451.2933880319999,DBODJJZRZFZBBD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum sungpanense,1042521.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum sungpanense'],6,0,6.0 157227,7070,100,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,DBODJJZRZFZBBD-RIVIBFSZSA-N,"InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19+,20+,21-,22?,23+,24-,25+/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@]34C1[C@H]([C@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C25H41NO6,pos_2_2proton3acetonitrile,451.2933880319999,DBODJJZRZFZBBD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum henryi,5511349.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum henryi'],6,0,6.0 157228,7070,100,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,DBODJJZRZFZBBD-RIVIBFSZSA-N,"InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19+,20+,21-,22?,23+,24-,25+/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@]34C1[C@H]([C@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C25H41NO6,pos_2_2proton3acetonitrile,451.2933880319999,DBODJJZRZFZBBD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum hemsleyanum,511674.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum hemsleyanum'],6,0,6.0 157229,7070,100,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,DBODJJZRZFZBBD-WDTQSPAGSA-N,"InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18?,19+,20+,21-,22?,23+,24-,25?/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)C34C1C([C@H](OC)[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C25H41NO6,pos_2_2proton3acetonitrile,451.293388032,DBODJJZRZFZBBD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum geniculatum,97187.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum geniculatum'],6,0,6.0 157230,7070,100,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,DBODJJZRZFZBBD-RIVIBFSZSA-N,"InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19+,20+,21-,22?,23+,24-,25+/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@]34C1[C@H]([C@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C25H41NO6,pos_2_2proton3acetonitrile,451.2933880319999,DBODJJZRZFZBBD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum forrestii,556432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum forrestii'],6,0,6.0 157231,7070,100,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,DBODJJZRZFZBBD-RIVIBFSZSA-N,"InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19+,20+,21-,22?,23+,24-,25+/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@]34C1[C@H]([C@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C25H41NO6,pos_2_2proton3acetonitrile,451.2933880319999,DBODJJZRZFZBBD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum nevadense,3944952.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum burnatii'],6,0,6.0 157232,7070,100,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,DBODJJZRZFZBBD-RIVIBFSZSA-N,"InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19+,20+,21-,22?,23+,24-,25+/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@]34C1[C@H]([C@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C25H41NO6,pos_2_2proton3acetonitrile,451.2933880319999,DBODJJZRZFZBBD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum burnatii,3944952.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum burnatii'],6,0,6.0 157233,7070,100,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,VBOMZXYQMCEYLU-XXYWQWTJSA-N,"InChI=1S/C25H41NO6/c1-6-26-11-23(12-27)8-7-16(30-3)25-14-9-13-15(29-2)10-24(28,17(14)19(13)31-4)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19+,20+,21-,22-,23+,24-,25+/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H]([C@H](OC)[C@H]23)[C@@H]14,C25H41NO6,pos_2_2proton3acetonitrile,451.293388032,VBOMZXYQMCEYLU,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum lycoctonum,14055.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum lycoctonum'],6,0,6.0 157234,7070,100,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,DBODJJZRZFZBBD-XXYWQWTJSA-N,"InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19+,20+,21-,22-,23+,24-,25+/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H]([C@H](OC)[C@H]23)[C@@H]14,C25H41NO6,pos_2_2proton3acetonitrile,451.293388032,DBODJJZRZFZBBD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum balfourii,698586.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum balfourii'],6,0,6.0 157235,7070,100,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,DBODJJZRZFZBBD-UHFFFAOYSA-N,"InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3",CCN1CC2(COC)CCC(OC)C34C5CC6C(OC)CC(O)(C5C6O)C(C(OC)C23)C14,C25H41NO6,pos_2_2proton3acetonitrile,451.2933880319999,DBODJJZRZFZBBD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum japonicum,5511352.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum japonicum'],6,0,6.0 157236,7070,100,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,DBODJJZRZFZBBD-UHFFFAOYSA-N,"InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3",CCN1CC2(COC)CCC(OC)C34C5CC6C(OC)CC(O)(C5C6O)C(C(OC)C23)C14,C25H41NO6,pos_2_2proton3acetonitrile,451.2933880319999,DBODJJZRZFZBBD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum carmichaelii,549536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum carmichaelii'],6,0,6.0 157237,7070,100,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,DBODJJZRZFZBBD-UHFFFAOYSA-N,"InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3",CCN1CC2(COC)CCC(OC)C34C5CC6C(OC)CC(O)(C5C6O)C(C(OC)C23)C14,C25H41NO6,pos_2_2proton3acetonitrile,451.2933880319999,DBODJJZRZFZBBD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum triphyllum,6131530.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum triphyllum'],6,0,6.0 157238,7070,100,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,DBODJJZRZFZBBD-UHFFFAOYSA-N,"InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3",CCN1CC2(COC)CCC(OC)C34C5CC6C(OC)CC(O)(C5C6O)C(C(OC)C23)C14,C25H41NO6,pos_2_2proton3acetonitrile,451.2933880319999,DBODJJZRZFZBBD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum kongboense,723190.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum kongboense'],6,0,6.0 157239,7070,100,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,DBODJJZRZFZBBD-UHFFFAOYSA-N,"InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3",CCN1CC2(COC)CCC(OC)C34C5CC6C(OC)CC(O)(C5C6O)C(C(OC)C23)C14,C25H41NO6,pos_2_2proton3acetonitrile,451.2933880319999,DBODJJZRZFZBBD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum tatsienense,413958.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum tatsienense'],6,0,6.0 157240,7070,100,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,DBODJJZRZFZBBD-ISYHQGQGSA-N,"InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3/t13?,14-,15+,16?,17-,18?,19?,20?,21-,22?,23+,24-,25?/m1/s1",CCN1C[C@]2(COC)CCC(OC)C34C1C(C(OC)[C@@H]32)[C@@]1(O)C[C@H](OC)C2C[C@@H]4[C@@H]1C2O,C25H41NO6,pos_2_2proton3acetonitrile,451.293388032,DBODJJZRZFZBBD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum kusnezoffii,141633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum kusnezoffii'],6,0,6.0 157241,7070,100,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,DBODJJZRZFZBBD-RIVIBFSZSA-N,"InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19+,20+,21-,22?,23+,24-,25+/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@]34C1[C@H]([C@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C25H41NO6,pos_2_2proton3acetonitrile,451.2933880319999,DBODJJZRZFZBBD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Staphisagria macrosperma,969162.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Staphisagria'],['Staphisagria macrosperma'],6,0,6.0 157242,7070,100,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,DBODJJZRZFZBBD-RIVIBFSZSA-N,"InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19+,20+,21-,22?,23+,24-,25+/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@]34C1[C@H]([C@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C25H41NO6,pos_2_2proton3acetonitrile,451.2933880319999,DBODJJZRZFZBBD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium staphisagria,969162.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Staphisagria'],['Staphisagria macrosperma'],6,0,6.0 157243,7070,100,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,DBODJJZRZFZBBD-VYPGSPFBSA-N,"InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3/t13-,14-,15-,16-,17-,18+,19-,20-,21-,22-,23+,24-,25+/m1/s1",CCN1C[C@]2(COC)CC[C@@H](OC)[C@@]34[C@@H]5C[C@H]6[C@@H](O)[C@@H]5[C@](O)(C[C@H]6OC)[C@@H]([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO6,pos_2_2proton3acetonitrile,451.293388032,DBODJJZRZFZBBD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium stapeliosum,6131808.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium stapeliosum'],6,0,6.0 157244,7070,100,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,DBODJJZRZFZBBD-RIVIBFSZSA-N,"InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19+,20+,21-,22?,23+,24-,25+/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@]34C1[C@H]([C@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C25H41NO6,pos_2_2proton3acetonitrile,451.2933880319999,DBODJJZRZFZBBD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum,756111.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Unknown'],6,0,6.0 157245,7070,100,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,DBODJJZRZFZBBD-RIVIBFSZSA-N,"InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19+,20+,21-,22?,23+,24-,25+/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@]34C1[C@H]([C@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C25H41NO6,pos_2_2proton3acetonitrile,451.2933880319999,DBODJJZRZFZBBD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum episcopale,50065.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum episcopale'],6,0,6.0 157246,7070,100,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,DBODJJZRZFZBBD-XXYWQWTJSA-N,"InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19+,20+,21-,22-,23+,24-,25+/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H]([C@H](OC)[C@H]23)[C@@H]14,C25H41NO6,pos_2_2proton3acetonitrile,451.293388032,DBODJJZRZFZBBD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum lethale,6131432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum lethale'],6,0,6.0 157194,7069,65,Alkaloids,Lysine alkaloids,N-acyl amines,0.20448492,ISDB,,,,,,,CJPAHDXHCYFKCY,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.8179396986961365 157193,7068,65,Alkaloids,Lysine alkaloids,N-acyl amines,0.20789437,ISDB,OFOZQDMSBJOEHH-MRXNPFEDSA-N,"InChI=1S/C17H31NO/c1-4-6-7-8-9-10-11-12-13-14-17(19)18-15-16(3)5-2/h11-14,16H,4-10,15H2,1-3H3,(H,18,19)/t16-/m1/s1",CCCCCCCC=CC=CC(=O)NC[C@H](C)CC,C17H31NO,,265.240564612,OFOZQDMSBJOEHH,Fatty acids,Fatty amides,N-acyl amines,Echinacea angustifolia,618371.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Echinacea'],['Echinacea angustifolia'],4,3,6.331577479839325 157143,7064,672,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,HKQZUYOVMYOFIT-JEJCSOMWSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19-,20+,21+,22-/m1/s1",CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C22H35NO4,pos_2_2proton1ammonium,377.2566085999999,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium pentagynum,782529.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium pentagynum'],6,3,7.5 157144,7064,672,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,HKQZUYOVMYOFIT-UHFFFAOYSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3",CCN1CC2(C)CCC(O)C34C5CC6C(OC)CC(O)(C(CC23)C14)C5C6O,C22H35NO4,pos_2_2proton1ammonium,377.2566086,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum japonicum,5511352.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum japonicum'],6,3,7.5 157145,7064,672,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,HKQZUYOVMYOFIT-UHFFFAOYSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3",CCN1CC2(C)CCC(O)C34C5CC6C(OC)CC(O)(C(CC23)C14)C5C6O,C22H35NO4,pos_2_2proton1ammonium,377.2566086,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum carmichaelii,549536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum carmichaelii'],6,3,7.5 157146,7064,672,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,HKQZUYOVMYOFIT-VHNBHZRZSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19?,20+,21+,22-/m1/s1",CCN1C[C@]2(C)CC[C@H](O)[C@]34C1[C@H](C[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C22H35NO4,pos_2_2proton1ammonium,377.2566085999999,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium davisii,6131635.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium davisii'],6,3,7.5 157147,7064,672,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,HKQZUYOVMYOFIT-ZRNHKMHYSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13?,14+,15-,16+,17-,18+,19?,20+,21+,22?/m1/s1",CCN1C[C@]2(C)CC[C@H](O)C34C1C(C[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C22H35NO4,pos_2_2proton1ammonium,377.2566086,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium nuttallianum,643524.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium nuttallianum'],6,3,7.5 157148,7064,672,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,HKQZUYOVMYOFIT-ZRNHKMHYSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13?,14+,15-,16+,17-,18+,19?,20+,21+,22?/m1/s1",CCN1C[C@]2(C)CC[C@H](O)C34C1C(C[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C22H35NO4,pos_2_2proton1ammonium,377.2566086,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum vilmorinianum,976183.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum vilmorinianum'],6,3,7.5 157149,7064,672,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,HKQZUYOVMYOFIT-UHFFFAOYSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3",CCN1CC2(C)CCC(O)C34C5CC6C(OC)CC(O)(C(CC23)C14)C5C6O,C22H35NO4,pos_2_2proton1ammonium,377.2566086,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum napellus,586780.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum napellus'],6,3,7.5 157150,7064,672,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,HKQZUYOVMYOFIT-JEJCSOMWSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19-,20+,21+,22-/m1/s1",CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C22H35NO4,pos_2_2proton1ammonium,377.2566085999999,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium crispulum,309502.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium crispulum'],6,3,7.5 157151,7064,672,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,VCOQRRVEIUTMFC-OVENPUKKSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-11-5-6-17(27-3)22-13(11)8-15(20(22)23)21(25)9-16(26-2)12-7-14(22)18(21)19(12)24/h11-20,24-25H,4-10H2,1-3H3/t11-,12+,13?,14?,15?,16-,17?,18?,19?,20+,21-,22?/m0/s1",CCN1C[C@@H]2CCC(OC)C34C5C[C@H]6C(O)C5[C@](O)(C[C@@H]6OC)C(CC23)[C@@H]14,C22H35NO4,pos_2_2proton1ammonium,377.2566086,VCOQRRVEIUTMFC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum napellus,586780.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum napellus'],6,3,7.5 157152,7064,672,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,VCOQRRVEIUTMFC-OVENPUKKSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-11-5-6-17(27-3)22-13(11)8-15(20(22)23)21(25)9-16(26-2)12-7-14(22)18(21)19(12)24/h11-20,24-25H,4-10H2,1-3H3/t11-,12+,13?,14?,15?,16-,17?,18?,19?,20+,21-,22?/m0/s1",CCN1C[C@@H]2CCC(OC)C34C5C[C@H]6C(O)C5[C@](O)(C[C@@H]6OC)C(CC23)[C@@H]14,C22H35NO4,pos_2_2proton1ammonium,377.2566086,VCOQRRVEIUTMFC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum forrestii,556432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum forrestii'],6,3,7.5 157153,7064,672,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,VCOQRRVEIUTMFC-UHFFFAOYSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-11-5-6-17(27-3)22-13(11)8-15(20(22)23)21(25)9-16(26-2)12-7-14(22)18(21)19(12)24/h11-20,24-25H,4-10H2,1-3H3",CCN1CC2CCC(OC)C34C2CC(C13)C1(O)CC(OC)C2CC4C1C2O,C22H35NO4,pos_2_2proton1ammonium,377.2566086,VCOQRRVEIUTMFC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum monticola,625485.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum monticola'],6,3,7.5 157154,7064,672,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,VCOQRRVEIUTMFC-UHFFFAOYSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-11-5-6-17(27-3)22-13(11)8-15(20(22)23)21(25)9-16(26-2)12-7-14(22)18(21)19(12)24/h11-20,24-25H,4-10H2,1-3H3",CCN1CC2CCC(OC)C34C2CC(C13)C1(O)CC(OC)C2CC4C1C2O,C22H35NO4,pos_2_2proton1ammonium,377.2566086,VCOQRRVEIUTMFC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum campylorrhynchum,117075.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum campylorrhynchum'],6,3,7.5 157155,7064,672,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,VCOQRRVEIUTMFC-UHFFFAOYSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-11-5-6-17(27-3)22-13(11)8-15(20(22)23)21(25)9-16(26-2)12-7-14(22)18(21)19(12)24/h11-20,24-25H,4-10H2,1-3H3",CCN1CC2CCC(OC)C34C2CC(C13)C1(O)CC(OC)C2CC4C1C2O,C22H35NO4,pos_2_2proton1ammonium,377.2566086,VCOQRRVEIUTMFC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum pseudostapfianum,1073593.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum tuguancunense'],6,3,7.5 157156,7064,672,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,VCOQRRVEIUTMFC-UHFFFAOYSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-11-5-6-17(27-3)22-13(11)8-15(20(22)23)21(25)9-16(26-2)12-7-14(22)18(21)19(12)24/h11-20,24-25H,4-10H2,1-3H3",CCN1CC2CCC(OC)C34C2CC(C13)C1(O)CC(OC)C2CC4C1C2O,C22H35NO4,pos_2_2proton1ammonium,377.2566086,VCOQRRVEIUTMFC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum piepunense,384357.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum piepunense'],6,3,7.5 157157,7064,672,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,VCOQRRVEIUTMFC-IZGTZTBCSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-11-5-6-17(27-3)22-13(11)8-15(20(22)23)21(25)9-16(26-2)12-7-14(22)18(21)19(12)24/h11-20,24-25H,4-10H2,1-3H3/t11-,12+,13+,14+,15-,16-,17-,18+,19-,20+,21-,22-/m0/s1",CCN1C[C@@H]2CC[C@H](OC)[C@@]34[C@@H]2C[C@@H]([C@@H]13)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C22H35NO4,pos_2_2proton1ammonium,377.2566086,VCOQRRVEIUTMFC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum toxicum,5737811.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum toxicum'],6,3,7.5 157158,7064,672,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,VCOQRRVEIUTMFC-OVENPUKKSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-11-5-6-17(27-3)22-13(11)8-15(20(22)23)21(25)9-16(26-2)12-7-14(22)18(21)19(12)24/h11-20,24-25H,4-10H2,1-3H3/t11-,12+,13?,14?,15?,16-,17?,18?,19?,20+,21-,22?/m0/s1",CCN1C[C@@H]2CCC(OC)C34C5C[C@H]6C(O)C5[C@](O)(C[C@@H]6OC)C(CC23)[C@@H]14,C22H35NO4,pos_2_2proton1ammonium,377.2566086,VCOQRRVEIUTMFC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum contortum,909683.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum contortum'],6,3,7.5 157159,7064,672,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,UIVVIYORXDFKKO-IGWUHLPXSA-N,"InChI=1S/C22H35NO4/c1-3-23-10-19(2)6-5-16(25)22-14(19)9-13(17(22)23)20-7-4-12(8-15(20)22)21(27,11-24)18(20)26/h12-18,24-27H,3-11H2,1-2H3/t12-,13-,14+,15+,16-,17+,18-,19-,20-,21-,22-/m0/s1",CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@@H]2C[C@@H]([C@@H]13)[C@@]12CC[C@@H](C[C@H]14)[C@@](O)(CO)[C@H]2O,C22H35NO4,pos_2_2proton1ammonium,377.2566086,UIVVIYORXDFKKO,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium crispulum,309502.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium crispulum'],6,3,7.5 157160,7064,672,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,UIVVIYORXDFKKO-IGWUHLPXSA-N,"InChI=1S/C22H35NO4/c1-3-23-10-19(2)6-5-16(25)22-14(19)9-13(17(22)23)20-7-4-12(8-15(20)22)21(27,11-24)18(20)26/h12-18,24-27H,3-11H2,1-2H3/t12-,13-,14+,15+,16-,17+,18-,19-,20-,21-,22-/m0/s1",CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@@H]2C[C@@H]([C@@H]13)[C@@]12CC[C@@H](C[C@H]14)[C@@](O)(CO)[C@H]2O,C22H35NO4,pos_2_2proton1ammonium,377.2566086,UIVVIYORXDFKKO,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium linearilobum,7591246.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium linearilobum'],6,3,7.5 157161,7064,672,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,KEXOMXFRKYKFSR-UNIHHUBBSA-N,"InChI=1S/C22H35NO4/c1-3-23-10-19(2)14-9-13-17(23)21(14,7-5-16(19)25)15-8-12-4-6-20(13,15)18(26)22(12,27)11-24/h12-18,24-27H,3-11H2,1-2H3/t12-,13-,14+,15+,16+,17+,18-,19-,20-,21-,22-/m0/s1",CCN1C[C@]2(C)[C@H](O)CC[C@@]34[C@@H]5C[C@@H]6CC[C@]5([C@H](O)[C@]6(O)CO)[C@@H](C[C@H]23)[C@@H]14,C22H35NO4,pos_2_2proton1ammonium,377.2566086,KEXOMXFRKYKFSR,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum cochleare,7591220.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum cochleare'],6,3,7.5 157162,7064,672,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,HKGMHDMSESOCGT-YISBXEQFSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(27-3)22-12-7-11-14(24)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13+,14-,15-,16+,17-,18+,19-,20+,21+,22-/m1/s1",CCN1C[C@]2(C)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@H]6O)[C@@H](C[C@H]23)[C@@H]14,C22H35NO4,pos_2_2proton1ammonium,377.2566086,HKGMHDMSESOCGT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum geniculatum,97187.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum geniculatum'],6,3,7.5 157163,7064,672,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,MDCQBGQVDRLEGB-SZDRHTRBSA-N,"InChI=1S/C22H35NO4/c1-4-23-11-19(2)7-6-15(27-3)22-14(19)9-13(18(22)23)20(25)8-5-12-10-21(22,26)17(20)16(12)24/h12-18,24-26H,4-11H2,1-3H3/t12-,13-,14+,15-,16-,17+,18+,19-,20-,21-,22-/m0/s1",CCN1C[C@]2(C)CC[C@H](OC)[C@@]34[C@@H]2C[C@@H]([C@@H]13)[C@@]1(O)CC[C@H]2C[C@]4(O)[C@@H]1[C@H]2O,C22H35NO4,pos_2_2proton1ammonium,377.2566086,MDCQBGQVDRLEGB,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum racemulosum,892121.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum racemulosum'],6,3,7.5 157165,7064,672,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,HKQZUYOVMYOFIT-JEJCSOMWSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19-,20+,21+,22-/m1/s1",CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C22H35NO4,pos_2_2proton1ammonium,377.2566085999999,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum falconeri,6131385.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum falconeri'],6,3,7.5 157166,7064,672,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,HKQZUYOVMYOFIT-JEJCSOMWSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19-,20+,21+,22-/m1/s1",CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C22H35NO4,pos_2_2proton1ammonium,377.2566085999999,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum lethale,6131432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum lethale'],6,3,7.5 157167,7064,672,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,HKQZUYOVMYOFIT-UHFFFAOYSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3",CCN1CC2(C)CCC(O)C34C5CC6C(OC)CC(O)(C(CC23)C14)C5C6O,C22H35NO4,pos_2_2proton1ammonium,377.2566086,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum carmichaeli,549536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum carmichaelii'],6,3,7.5 157168,7064,672,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,HKQZUYOVMYOFIT-UHFFFAOYSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3",CCN1CC2(C)CCC(O)C34C5CC6C(OC)CC(O)(C(CC23)C14)C5C6O,C22H35NO4,pos_2_2proton1ammonium,377.2566086,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum kusnezoffii,141633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum kusnezoffii'],6,3,7.5 157169,7064,672,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,HKQZUYOVMYOFIT-DSGMTPGBSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19-,20-,21+,22-/m1/s1",CCN1C[C@@]2(C)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C22H35NO4,pos_2_2proton1ammonium,377.2566086,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum karakolicum,44345.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum karakolicum'],6,3,7.5 157170,7064,672,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,HKQZUYOVMYOFIT-ZRNHKMHYSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13?,14+,15-,16+,17-,18+,19?,20+,21+,22?/m1/s1",CCN1C[C@]2(C)CC[C@H](O)C34C1C(C[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C22H35NO4,pos_2_2proton1ammonium,377.2566086,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium poltaratzkii,6131764.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium poltaratzkii'],6,3,7.5 157171,7064,672,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,HKQZUYOVMYOFIT-JEJCSOMWSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19-,20+,21+,22-/m1/s1",CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C22H35NO4,pos_2_2proton1ammonium,377.2566085999999,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum variegatum,586783.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum variegatum'],6,3,7.5 157172,7064,672,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,HKQZUYOVMYOFIT-ZRNHKMHYSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13?,14+,15-,16+,17-,18+,19?,20+,21+,22?/m1/s1",CCN1C[C@]2(C)CC[C@H](O)C34C1C(C[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C22H35NO4,pos_2_2proton1ammonium,377.2566086,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum soongaricum,5143682.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum soongaricum'],6,3,7.5 157173,7064,672,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,HKQZUYOVMYOFIT-JEJCSOMWSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19-,20+,21+,22-/m1/s1",CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C22H35NO4,pos_2_2proton1ammonium,377.2566085999999,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium bicolor,591163.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium bicolor'],6,3,7.5 157174,7064,672,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,HKQZUYOVMYOFIT-UHFFFAOYSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3",CCN1CC2(C)CCC(O)C34C5CC6C(OC)CC(O)(C(CC23)C14)C5C6O,C22H35NO4,pos_2_2proton1ammonium,377.2566086,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum kusnezoffii,141633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum kusnezoffii'],6,3,7.5 157175,7064,672,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,HKQZUYOVMYOFIT-UHFFFAOYSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3",CCN1CC2(C)CCC(O)C34C5CC6C(OC)CC(O)(C(CC23)C14)C5C6O,C22H35NO4,pos_2_2proton1ammonium,377.2566086,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum carmichaeli,549536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum carmichaelii'],6,3,7.5 157176,7064,672,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,HKQZUYOVMYOFIT-JEJCSOMWSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19-,20+,21+,22-/m1/s1",CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C22H35NO4,pos_2_2proton1ammonium,377.2566085999999,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum lethale,6131432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum lethale'],6,3,7.5 157177,7064,672,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,HKQZUYOVMYOFIT-JEJCSOMWSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19-,20+,21+,22-/m1/s1",CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C22H35NO4,pos_2_2proton1ammonium,377.2566085999999,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum falconeri,6131385.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum falconeri'],6,3,7.5 157178,7064,672,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,HKQZUYOVMYOFIT-UHFFFAOYSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3",CCN1CC2(C)CCC(O)C34C5CC6C(OC)CC(O)(C(CC23)C14)C5C6O,C22H35NO4,pos_2_2proton1ammonium,377.2566086,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum japonicum,5511352.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum japonicum'],6,3,7.5 157180,7064,672,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,HKQZUYOVMYOFIT-UHFFFAOYSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3",CCN1CC2(C)CCC(O)C34C5CC6C(OC)CC(O)(C(CC23)C14)C5C6O,C22H35NO4,pos_2_2proton1ammonium,377.2566086,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum carmichaelii,549536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum carmichaelii'],6,3,7.5 157181,7064,672,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,HKQZUYOVMYOFIT-ZRNHKMHYSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13?,14+,15-,16+,17-,18+,19?,20+,21+,22?/m1/s1",CCN1C[C@]2(C)CC[C@H](O)C34C1C(C[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C22H35NO4,pos_2_2proton1ammonium,377.2566086,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium nuttallianum,643524.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium nuttallianum'],6,3,7.5 157182,7064,672,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,HKQZUYOVMYOFIT-ZRNHKMHYSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13?,14+,15-,16+,17-,18+,19?,20+,21+,22?/m1/s1",CCN1C[C@]2(C)CC[C@H](O)C34C1C(C[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C22H35NO4,pos_2_2proton1ammonium,377.2566086,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum vilmorinianum,976183.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum vilmorinianum'],6,3,7.5 157183,7064,672,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,HKQZUYOVMYOFIT-UHFFFAOYSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3",CCN1CC2(C)CCC(O)C34C5CC6C(OC)CC(O)(C(CC23)C14)C5C6O,C22H35NO4,pos_2_2proton1ammonium,377.2566086,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum napellus,586780.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum napellus'],6,3,7.5 157184,7064,672,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,HKQZUYOVMYOFIT-JEJCSOMWSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19-,20+,21+,22-/m1/s1",CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C22H35NO4,pos_2_2proton1ammonium,377.2566085999999,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium crispulum,309502.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium crispulum'],6,3,7.5 157185,7064,672,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,HKQZUYOVMYOFIT-JEJCSOMWSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19-,20+,21+,22-/m1/s1",CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C22H35NO4,pos_2_2proton1ammonium,377.2566085999999,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium pentagynum,782529.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium pentagynum'],6,3,7.5 157186,7064,672,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,HKQZUYOVMYOFIT-DSGMTPGBSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19-,20-,21+,22-/m1/s1",CCN1C[C@@]2(C)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C22H35NO4,pos_2_2proton1ammonium,377.2566086,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum karakolicum,44345.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum karakolicum'],6,3,7.5 157187,7064,672,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,HKQZUYOVMYOFIT-ZRNHKMHYSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13?,14+,15-,16+,17-,18+,19?,20+,21+,22?/m1/s1",CCN1C[C@]2(C)CC[C@H](O)C34C1C(C[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C22H35NO4,pos_2_2proton1ammonium,377.2566086,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium poltaratzkii,6131764.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium poltaratzkii'],6,3,7.5 157188,7064,672,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,HKQZUYOVMYOFIT-JEJCSOMWSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19-,20+,21+,22-/m1/s1",CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C22H35NO4,pos_2_2proton1ammonium,377.2566085999999,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum variegatum,586783.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum variegatum'],6,3,7.5 157189,7064,672,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,HKQZUYOVMYOFIT-ZRNHKMHYSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13?,14+,15-,16+,17-,18+,19?,20+,21+,22?/m1/s1",CCN1C[C@]2(C)CC[C@H](O)C34C1C(C[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C22H35NO4,pos_2_2proton1ammonium,377.2566086,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum soongaricum,5143682.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum soongaricum'],6,3,7.5 157190,7064,672,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,HKQZUYOVMYOFIT-JEJCSOMWSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19-,20+,21+,22-/m1/s1",CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C22H35NO4,pos_2_2proton1ammonium,377.2566085999999,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium bicolor,591163.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium bicolor'],6,3,7.5 157191,7064,672,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,HKQZUYOVMYOFIT-VHNBHZRZSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19?,20+,21+,22-/m1/s1",CCN1C[C@]2(C)CC[C@H](O)[C@]34C1[C@H](C[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C22H35NO4,pos_2_2proton1ammonium,377.2566085999999,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium davisii,6131635.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium davisii'],6,3,7.5 157135,7063,-1,,,,0.0,MS1_match,MBNBAHNWJUHSQR-LEYMWFIESA-N,"InChI=1S/C28H45NO6/c1-7-29-14-26(15-31-4)10-9-22(33-6)28-18-11-17-20(32-5)13-27(34-8-2,19(25(28)29)12-21(26)28)23(18)24(17)35-16(3)30/h17-25H,7-15H2,1-6H3/t17-,18-,19+,20+,21-,22+,23-,24+,25-,26+,27+,28?/m1/s1",CCO[C@]12C[C@H](OC)[C@H]3C[C@H]([C@@H]1[C@H]3OC(C)=O)C13[C@@H](OC)CC[C@@]4(COC)CN(CC)[C@@H]1[C@@H]2C[C@@H]34,C28H45NO6,pos_1_1proton1isopropanol,491.32468816,MBNBAHNWJUHSQR,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Gymnaconitum gymnandrum,511673.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Gymnaconitum'],['Gymnaconitum gymnandrum'],6,0,6.0 157136,7063,-1,,,,0.0,MS1_match,MBNBAHNWJUHSQR-LEYMWFIESA-N,"InChI=1S/C28H45NO6/c1-7-29-14-26(15-31-4)10-9-22(33-6)28-18-11-17-20(32-5)13-27(34-8-2,19(25(28)29)12-21(26)28)23(18)24(17)35-16(3)30/h17-25H,7-15H2,1-6H3/t17-,18-,19+,20+,21-,22+,23-,24+,25-,26+,27+,28?/m1/s1",CCO[C@]12C[C@H](OC)[C@H]3C[C@H]([C@@H]1[C@H]3OC(C)=O)C13[C@@H](OC)CC[C@@]4(COC)CN(CC)[C@@H]1[C@@H]2C[C@@H]34,C28H45NO6,pos_1_1proton1isopropanol,491.32468816,MBNBAHNWJUHSQR,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum vilmorinianum,976183.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum vilmorinianum'],6,0,6.0 157137,7063,-1,,,,0.0,MS1_match,MBNBAHNWJUHSQR-GQIRAUAMSA-N,"InChI=1S/C28H45NO6/c1-7-29-14-26(15-31-4)10-9-22(33-6)28-18-11-17-20(32-5)13-27(34-8-2,19(25(28)29)12-21(26)28)23(18)24(17)35-16(3)30/h17-25H,7-15H2,1-6H3/t17-,18-,19+,20+,21-,22+,23-,24+,25-,26+,27+,28-/m1/s1",CCO[C@]12C[C@H](OC)[C@H]3C[C@H]([C@@H]1[C@H]3OC(C)=O)[C@@]13[C@@H](OC)CC[C@@]4(COC)CN(CC)[C@@H]1[C@@H]2C[C@H]43,C28H45NO6,pos_1_1proton1isopropanol,491.3246881599999,MBNBAHNWJUHSQR,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum forrestii,556432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum forrestii'],6,0,6.0 157138,7063,-1,,,,0.0,MS1_match,MBNBAHNWJUHSQR-GQIRAUAMSA-N,"InChI=1S/C28H45NO6/c1-7-29-14-26(15-31-4)10-9-22(33-6)28-18-11-17-20(32-5)13-27(34-8-2,19(25(28)29)12-21(26)28)23(18)24(17)35-16(3)30/h17-25H,7-15H2,1-6H3/t17-,18-,19+,20+,21-,22+,23-,24+,25-,26+,27+,28-/m1/s1",CCO[C@]12C[C@H](OC)[C@H]3C[C@H]([C@@H]1[C@H]3OC(C)=O)[C@@]13[C@@H](OC)CC[C@@]4(COC)CN(CC)[C@@H]1[C@@H]2C[C@H]43,C28H45NO6,pos_1_1proton1isopropanol,491.3246881599999,MBNBAHNWJUHSQR,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum macrorhynchum,7591226.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum macrorhynchum'],6,0,6.0 157139,7063,-1,,,,0.0,MS1_match,MBNBAHNWJUHSQR-LEYMWFIESA-N,"InChI=1S/C28H45NO6/c1-7-29-14-26(15-31-4)10-9-22(33-6)28-18-11-17-20(32-5)13-27(34-8-2,19(25(28)29)12-21(26)28)23(18)24(17)35-16(3)30/h17-25H,7-15H2,1-6H3/t17-,18-,19+,20+,21-,22+,23-,24+,25-,26+,27+,28?/m1/s1",CCO[C@]12C[C@H](OC)[C@H]3C[C@H]([C@@H]1[C@H]3OC(C)=O)C13[C@@H](OC)CC[C@@]4(COC)CN(CC)[C@@H]1[C@@H]2C[C@@H]34,C28H45NO6,pos_1_1proton1isopropanol,491.32468816,MBNBAHNWJUHSQR,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Gymnaconitum gymnandrum,511673.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Gymnaconitum'],['Gymnaconitum gymnandrum'],6,0,6.0 157140,7063,-1,,,,0.0,MS1_match,MBNBAHNWJUHSQR-LEYMWFIESA-N,"InChI=1S/C28H45NO6/c1-7-29-14-26(15-31-4)10-9-22(33-6)28-18-11-17-20(32-5)13-27(34-8-2,19(25(28)29)12-21(26)28)23(18)24(17)35-16(3)30/h17-25H,7-15H2,1-6H3/t17-,18-,19+,20+,21-,22+,23-,24+,25-,26+,27+,28?/m1/s1",CCO[C@]12C[C@H](OC)[C@H]3C[C@H]([C@@H]1[C@H]3OC(C)=O)C13[C@@H](OC)CC[C@@]4(COC)CN(CC)[C@@H]1[C@@H]2C[C@@H]34,C28H45NO6,pos_1_1proton1isopropanol,491.32468816,MBNBAHNWJUHSQR,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum vilmorinianum,976183.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum vilmorinianum'],6,0,6.0 157141,7063,-1,,,,0.0,MS1_match,MBNBAHNWJUHSQR-GQIRAUAMSA-N,"InChI=1S/C28H45NO6/c1-7-29-14-26(15-31-4)10-9-22(33-6)28-18-11-17-20(32-5)13-27(34-8-2,19(25(28)29)12-21(26)28)23(18)24(17)35-16(3)30/h17-25H,7-15H2,1-6H3/t17-,18-,19+,20+,21-,22+,23-,24+,25-,26+,27+,28-/m1/s1",CCO[C@]12C[C@H](OC)[C@H]3C[C@H]([C@@H]1[C@H]3OC(C)=O)[C@@]13[C@@H](OC)CC[C@@]4(COC)CN(CC)[C@@H]1[C@@H]2C[C@H]43,C28H45NO6,pos_1_1proton1isopropanol,491.3246881599999,MBNBAHNWJUHSQR,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum forrestii,556432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum forrestii'],6,0,6.0 157142,7063,-1,,,,0.0,MS1_match,MBNBAHNWJUHSQR-GQIRAUAMSA-N,"InChI=1S/C28H45NO6/c1-7-29-14-26(15-31-4)10-9-22(33-6)28-18-11-17-20(32-5)13-27(34-8-2,19(25(28)29)12-21(26)28)23(18)24(17)35-16(3)30/h17-25H,7-15H2,1-6H3/t17-,18-,19+,20+,21-,22+,23-,24+,25-,26+,27+,28-/m1/s1",CCO[C@]12C[C@H](OC)[C@H]3C[C@H]([C@@H]1[C@H]3OC(C)=O)[C@@]13[C@@H](OC)CC[C@@]4(COC)CN(CC)[C@@H]1[C@@H]2C[C@H]43,C28H45NO6,pos_1_1proton1isopropanol,491.3246881599999,MBNBAHNWJUHSQR,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum macrorhynchum,7591226.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum macrorhynchum'],6,0,6.0 157134,7062,672,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,PUJPMGBYYYNBII-OGVVJMRYSA-N,"InChI=1S/C24H39NO4/c1-6-25-12-22(2)8-7-18(28-4)24-14-9-13-16(27-3)11-23(29-5,19(14)20(13)26)15(21(24)25)10-17(22)24/h13-21,26H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21-,22+,23+,24-/m1/s1",CCN1C[C@]2(C)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](OC)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C24H39NO4,pos_2_2proton1ammonium,405.2879087279999,PUJPMGBYYYNBII,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium verdunense,142827.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium verdunense'],6,3,7.5 157125,7054,65,Alkaloids,Lysine alkaloids,N-acyl amines,0.0,MS1_match,VWDLOXMZIGUBKM-AUGXRQBFSA-N,"InChI=1S/C35H58O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h8-10,20-22,24-33,36-39H,7,11-19H2,1-6H3/b9-8+/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H58O6,pos_2_2sodium,574.423339576,VWDLOXMZIGUBKM,Terpenoids,Steroids,Stigmastane steroids,Eriocapitella tomentosa,5737682.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Anemone'],['Anemone tomentosa'],7,0,7.0 157126,7054,65,Alkaloids,Lysine alkaloids,N-acyl amines,0.0,MS1_match,VWDLOXMZIGUBKM-AUGXRQBFSA-N,"InChI=1S/C35H58O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h8-10,20-22,24-33,36-39H,7,11-19H2,1-6H3/b9-8+/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H58O6,pos_2_2sodium,574.423339576,VWDLOXMZIGUBKM,Terpenoids,Steroids,Stigmastane steroids,Eriocapitella tomentosa,5737682.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Anemone'],['Anemone tomentosa'],7,0,7.0 157123,7053,65,Alkaloids,Lysine alkaloids,N-acyl amines,0.0,MS1_match,KQFJWNFKSIQXPX-PYJJOTKASA-N,"InChI=1S/C22H35NO7/c1-4-23-9-19(26)6-5-13(24)21-11-7-10-12(29-2)8-20(27,14(11)15(10)25)22(28,18(21)23)17(30-3)16(19)21/h10-18,24-28H,4-9H2,1-3H3/t10-,11-,12+,13+,14-,15+,16-,17+,18+,19-,20-,21+,22-/m1/s1",CCN1C[C@]2(O)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C22H35NO7,pos_1_1proton1methanol,425.24135246,KQFJWNFKSIQXPX,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium scabriflorum,6131796.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium scabriflorum'],6,1,6.5 157124,7053,65,Alkaloids,Lysine alkaloids,N-acyl amines,0.0,MS1_match,KQFJWNFKSIQXPX-JBVFEIDLSA-N,"InChI=1S/C22H35NO7/c1-4-23-9-19(26)6-5-13(24)21-11-7-10-12(29-2)8-20(27,14(11)15(10)25)22(28,18(21)23)17(30-3)16(19)21/h10-18,24-28H,4-9H2,1-3H3/t10-,11-,12+,13+,14-,15-,16-,17+,18+,19-,20-,21+,22-/m1/s1",CCN1C[C@]2(O)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C22H35NO7,pos_1_1proton1methanol,425.24135246,KQFJWNFKSIQXPX,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium potaninii var. bonvalotii,274603.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium bonvalotii'],6,1,6.5 157121,7049,65,Alkaloids,Lysine alkaloids,N-acyl amines,0.0,MS1_match,OLGZCXJLBHNVSV-DDQVRILVSA-N,"InChI=1S/C32H47NO8/c1-7-33-15-29(16-37-2)20(34)13-21(39-4)32-18-14-30(35)11-12-31(36,24(28(32)33)26(41-6)27(29)32)23(18)22(30)17-9-8-10-19(38-3)25(17)40-5/h8-10,18,20-24,26-28,34-36H,7,11-16H2,1-6H3/t18-,20-,21+,22-,23-,24+,26+,27-,28-,29+,30-,31-,32+/m1/s1",CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@@]34[C@@H]5C[C@]6(O)CC[C@@](O)([C@H]5[C@H]6c5cccc(OC)c5OC)[C@@H]([C@H](OC)[C@H]23)[C@@H]14,C32H47NO8,pos_2_2proton1ammonium,573.3301674639998,OLGZCXJLBHNVSV,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum lethale,6131432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum lethale'],6,1,6.5 157122,7049,65,Alkaloids,Lysine alkaloids,N-acyl amines,0.0,MS1_match,OLGZCXJLBHNVSV-DDQVRILVSA-N,"InChI=1S/C32H47NO8/c1-7-33-15-29(16-37-2)20(34)13-21(39-4)32-18-14-30(35)11-12-31(36,24(28(32)33)26(41-6)27(29)32)23(18)22(30)17-9-8-10-19(38-3)25(17)40-5/h8-10,18,20-24,26-28,34-36H,7,11-16H2,1-6H3/t18-,20-,21+,22-,23-,24+,26+,27-,28-,29+,30-,31-,32+/m1/s1",CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@@]34[C@@H]5C[C@]6(O)CC[C@@](O)([C@H]5[C@H]6c5cccc(OC)c5OC)[C@@H]([C@H](OC)[C@H]23)[C@@H]14,C32H47NO8,pos_2_2proton1ammonium,573.3301674639998,OLGZCXJLBHNVSV,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum falconeri,6131385.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum falconeri'],6,1,6.5 157119,7046,65,Alkaloids,Lysine alkaloids,N-acyl amines,0.23289469,ISDB,,,,,,,GOOOCIIXFLVRAG,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.9315787553787231 157117,7044,65,Alkaloids,Lysine alkaloids,N-acyl amines,0.20965359,ISDB,CCWBQLZOTVKFAJ-USNSYDTGSA-N,"InChI=1S/C17H29NO3/c1-13(8-4-3-7-11-19)12-14-16(20)17(2,21)15-9-5-6-10-18(14)15/h3-4,8,14-16,19-21H,5-7,9-12H2,1-2H3/b4-3+,13-8+/t14-,15+,16-,17-/m0/s1",C/C(=C\C=C\CCO)C[C@H]1[C@H](O)[C@@](C)(O)[C@H]2CCCCN12,C17H29NO3,,295.214743788,CCWBQLZOTVKFAJ,Alkaloids,Lysine alkaloids,Indolizidine alkaloids,Streptomyces,772892.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Unknown'],0,2,1.8386143445968628 157118,7044,65,Alkaloids,Lysine alkaloids,N-acyl amines,0.20965359,ISDB,CCWBQLZOTVKFAJ-UHFFFAOYSA-N,"InChI=1S/C17H29NO3/c1-13(8-4-3-7-11-19)12-14-16(20)17(2,21)15-9-5-6-10-18(14)15/h3-4,8,14-16,19-21H,5-7,9-12H2,1-2H3",CC(=CC=CCCO)CC1C(O)C(C)(O)C2CCCCN12,C17H29NO3,,295.214743788,CCWBQLZOTVKFAJ,Alkaloids,Lysine alkaloids,Indolizidine alkaloids,Streptomyces albidoflavus,772836.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Streptomyces albidoflavus'],0,2,1.8386143445968628 157085,7043,607,Terpenoids,Sesquiterpenoids,Drimane sesquiterpenoids,0.0,MS1_match,FKARAOWYAAUAFW-MGRBCSRPSA-N,"InChI=1S/C28H40O4/c1-15-13-21-26(4,24(32)22(15)30)10-12-27(5)20-8-7-17-16(2)23(31)19(29)14-18(17)25(20,3)9-11-28(21,27)6/h14-15,20-21,24,29,31-32H,7-13H2,1-6H3/t15-,20+,21-,24-,25+,26-,27-,28+/m1/s1",Cc1c(O)c(O)cc2c1CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@@H](C)C(=O)[C@@H](O)[C@]3(C)CC[C@]12C,C28H40O4,pos_2_2proton,440.29265976,FKARAOWYAAUAFW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Tripterygium wilfordii,300831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium wilfordii'],6,1,6.5 157086,7043,607,Terpenoids,Sesquiterpenoids,Drimane sesquiterpenoids,0.0,MS1_match,FKARAOWYAAUAFW-MGRBCSRPSA-N,"InChI=1S/C28H40O4/c1-15-13-21-26(4,24(32)22(15)30)10-12-27(5)20-8-7-17-16(2)23(31)19(29)14-18(17)25(20,3)9-11-28(21,27)6/h14-15,20-21,24,29,31-32H,7-13H2,1-6H3/t15-,20+,21-,24-,25+,26-,27-,28+/m1/s1",Cc1c(O)c(O)cc2c1CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@@H](C)C(=O)[C@@H](O)[C@]3(C)CC[C@]12C,C28H40O4,pos_2_2proton,440.29265976,FKARAOWYAAUAFW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Salacia chinensis,380833.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Salacia'],['Salacia chinensis'],6,1,6.5 157079,7040,680,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,0.0,MS1_match,MQNYOYOQPDJLJV-PEXFBTPGSA-N,"InChI=1S/C17H24O3/c1-12(18)20-11-13-5-4-6-14(19)8-10-16-15(9-7-13)17(16,2)3/h5,8,10,15-16H,4,6-7,9,11H2,1-3H3/b10-8-,13-5+/t15-,16+/m1/s1",CC(=O)OC/C1=C/CCC(=O)/C=C\[C@H]2[C@@H](CC1)C2(C)C,C17H24O3,pos_1_1proton1methanol,276.172544628,MQNYOYOQPDJLJV,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,2,7.0 157080,7040,680,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,0.0,MS1_match,MQNYOYOQPDJLJV-PEXFBTPGSA-N,"InChI=1S/C17H24O3/c1-12(18)20-11-13-5-4-6-14(19)8-10-16-15(9-7-13)17(16,2)3/h5,8,10,15-16H,4,6-7,9,11H2,1-3H3/b10-8-,13-5+/t15-,16+/m1/s1",CC(=O)OC/C1=C/CCC(=O)/C=C\[C@H]2[C@@H](CC1)C2(C)C,C17H24O3,pos_1_1proton1methanol,276.172544628,MQNYOYOQPDJLJV,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,Valeriana fauriei,228778.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana fauriei'],6,2,7.0 157081,7040,680,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,0.0,MS1_match,BESWSXOVDJDSKQ-HUJQHWLQSA-N,"InChI=1S/C17H24O3/c1-11-6-5-7-13(19)8-9-14-16(17(14,3)4)15(10-11)20-12(2)18/h6,8-9,14-16H,5,7,10H2,1-4H3/b9-8-,11-6-/t14-,15+,16-/m0/s1",CC(=O)O[C@@H]1C/C(C)=C\CCC(=O)/C=C\[C@H]2[C@@H]1C2(C)C,C17H24O3,pos_1_1proton1methanol,276.172544628,BESWSXOVDJDSKQ,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,2,7.0 157082,7040,680,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,0.0,MS1_match,BESWSXOVDJDSKQ-HUJQHWLQSA-N,"InChI=1S/C17H24O3/c1-11-6-5-7-13(19)8-9-14-16(17(14,3)4)15(10-11)20-12(2)18/h6,8-9,14-16H,5,7,10H2,1-4H3/b9-8-,11-6-/t14-,15+,16-/m0/s1",CC(=O)O[C@@H]1C/C(C)=C\CCC(=O)/C=C\[C@H]2[C@@H]1C2(C)C,C17H24O3,pos_1_1proton1methanol,276.172544628,BESWSXOVDJDSKQ,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,Valeriana fauriei,228778.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana fauriei'],6,2,7.0 157083,7040,680,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,0.0,MS1_match,VGOHBZXHAWVRBT-UHFFFAOYSA-N,"InChI=1S/C17H24O3/c1-12(19)20-11-13-5-4-6-14(10-18)9-16-15(8-7-13)17(16,2)3/h5,9-10,15-16H,4,6-8,11H2,1-3H3",CC(=O)OCC1=CCCC(C=O)=CC2C(CC1)C2(C)C,C17H24O3,pos_1_1proton1methanol,276.172544628,VGOHBZXHAWVRBT,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,Valeriana dageletiana,7625130.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana dageletiana'],6,2,7.0 157084,7040,680,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,0.0,MS1_match,VGOHBZXHAWVRBT-UHFFFAOYSA-N,"InChI=1S/C17H24O3/c1-12(19)20-11-13-5-4-6-14(10-18)9-16-15(8-7-13)17(16,2)3/h5,9-10,15-16H,4,6-8,11H2,1-3H3",CC(=O)OCC1=CCCC(C=O)=CC2C(CC1)C2(C)C,C17H24O3,pos_1_1proton1methanol,276.172544628,VGOHBZXHAWVRBT,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,2,7.0 157027,7037,1528,Polyketides,Aromatic polyketides,Paraconic acids and derivatives,0.34117964,ISDB,ICPNWGPSZHZHLR-QGZVFWFLSA-N,"InChI=1S/C19H32O4/c20-11-9-7-5-3-1-2-4-6-8-10-17(21)12-16-13-18(22)15-19(23)14-16/h13-15,17,20-23H,1-12H2/t17-/m1/s1",OCCCCCCCCCCC[C@@H](O)Cc1cc(O)cc(O)c1,C19H32O4,,324.230059504,ICPNWGPSZHZHLR,Polyketides,Aromatic polyketides,,Ononis viscosa,497912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Ononis'],['Ononis viscosa'],4,2,6.364718556404114 157024,7031,945,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.26555225,ISDB,HZGGHVGIXDRDDH-AVUBCJKYSA-N,"InChI=1S/C26H36O11/c1-14-22(29)24(31)25(32)26(36-14)35-10-4-5-15-6-9-18(20(11-15)34-3)37-21(13-27)23(30)16-7-8-17(28)19(12-16)33-2/h6-9,11-12,14,21-32H,4-5,10,13H2,1-3H3/t14-,21-,22-,23+,24+,25+,26-/m0/s1",COc1cc([C@@H](O)[C@H](CO)Oc2ccc(CCCO[C@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)cc2OC)ccc1O,C26H36O11,,524.2257619719998,HZGGHVGIXDRDDH,Shikimates and Phenylpropanoids,Lignans,Neolignans,Epimedium sagittatum,175143.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Berberidaceae'],['Unknown'],['Epimedium'],['Epimedium sagittatum'],4,3,6.5622090101242065 157023,7030,565,Terpenoids,Monoterpenoids,Furofuranoid lignans,0.0,MS1_match,GJOKUHOJKKOIEW-UHFFFAOYSA-N,"InChI=1S/C12H14O6/c1-7(4-13)12(17)3-11(18-8(2)16)9(5-14)10(12)6-15/h4,6,11,14,17H,1,3,5H2,2H3",C=C(C=O)C1(O)CC(OC(C)=O)C(CO)=C1C=O,C12H14O6,pos_1_1proton1acetonitrile,254.079038168,GJOKUHOJKKOIEW,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,2,7.0 157017,7028,-1,,,,0.4102572,ISDB,NSOQQZAUFCNZHQ-GWGOZDFZSA-N,"InChI=1S/C23H45NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(27)22(20-25)24-21(2)26/h18-19,22-23,25,27H,3-17,20H2,1-2H3,(H,24,26)/b19-18+/t22-,23+/m1/s1",CCCCCCCCCCCCCCCC/C=C/[C@H](O)[C@@H](CO)NC(C)=O,C23H45NO3,,383.3399443,NSOQQZAUFCNZHQ,Fatty acids,Sphingolipids,Ceramides,Tanacetum sinaicum,7050869.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum sinaicum'],4,0,5.6410287618637085 157018,7028,-1,,,,0.4102572,ISDB,NSOQQZAUFCNZHQ-GWGOZDFZSA-N,"InChI=1S/C23H45NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(27)22(20-25)24-21(2)26/h18-19,22-23,25,27H,3-17,20H2,1-2H3,(H,24,26)/b19-18+/t22-,23+/m1/s1",CCCCCCCCCCCCCCCC/C=C/[C@H](O)[C@@H](CO)NC(C)=O,C23H45NO3,,383.3399443,NSOQQZAUFCNZHQ,Fatty acids,Sphingolipids,Ceramides,Tanacetum artemisioides,7596067.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum artemisioides'],4,0,5.6410287618637085 157016,7027,-1,,,,0.0,MS1_match,CCTSZLOYMHLMHP-UHFFFAOYSA-N,"InChI=1S/C10H16O5/c1-10(14)7(12)2-6-5(3-11)4-15-9(13)8(6)10/h5-8,11-12,14H,2-4H2,1H3",CC1(O)C(O)CC2C(CO)COC(=O)C21,C10H16O5,pos_1_1proton1ammonium,216.099773612,CCTSZLOYMHLMHP,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,0,6.0 157005,7026,320,Amino acids and Peptides,Cyclic polyketides,Cyanogenic glycosides,0.69542825,ISDB,FFIHXENRVXVAGQ-UVLSWTAMSA-N,"InChI=1S/C14H19NO6/c1-4-5-8-6-7-9(16)10(17)14(8)11(18)13(2,20)15(21-3)12(14)19/h5-7,10-11,17-18,20H,4H2,1-3H3/b8-5-/t10-,11+,13-,14-/m1/s1",CC/C=C1/C=CC(=O)[C@@H](O)[C@]12C(=O)N(OC)[C@](C)(O)[C@@H]2O,C14H19NO6,,297.121237328,FFIHXENRVXVAGQ,Amino acids and Peptides,Cyclic polyketides,3-Spirotetramic acids,Curvularia pallescens,868065.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Dothideomycetes'],['Pleosporales'],['Pleosporaceae'],['Unknown'],['Cochliobolus'],['Pseudocochliobolus pallescens'],1,2,4.781713008880615 157006,7026,320,Amino acids and Peptides,Cyclic polyketides,Cyanogenic glycosides,0.69542825,ISDB,FFIHXENRVXVAGQ-UVLSWTAMSA-N,"InChI=1S/C14H19NO6/c1-4-5-8-6-7-9(16)10(17)14(8)11(18)13(2,20)15(21-3)12(14)19/h5-7,10-11,17-18,20H,4H2,1-3H3/b8-5-/t10-,11+,13-,14-/m1/s1",CC/C=C1/C=CC(=O)[C@@H](O)[C@]12C(=O)N(OC)[C@](C)(O)[C@@H]2O,C14H19NO6,,297.121237328,FFIHXENRVXVAGQ,Amino acids and Peptides,Cyclic polyketides,3-Spirotetramic acids,Staphylotrichum coccosporum,630050.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Sordariales'],['Chaetomiaceae'],['Unknown'],['Staphylotrichum'],['Staphylotrichum coccosporum'],1,2,4.781713008880615 157007,7026,320,Amino acids and Peptides,Cyclic polyketides,Cyanogenic glycosides,0.69542825,ISDB,FFIHXENRVXVAGQ-KZZKGCKGSA-N,"InChI=1S/C14H19NO6/c1-4-5-8-6-7-9(16)10(17)14(8)11(18)13(2,20)15(21-3)12(14)19/h5-7,10-11,17-18,20H,4H2,1-3H3/b8-5-/t10-,11-,13+,14+/m0/s1",CC/C=C1/C=CC(=O)[C@H](O)[C@]12C(=O)N(OC)[C@](C)(O)[C@@H]2O,C14H19NO6,,297.121237328,FFIHXENRVXVAGQ,Amino acids and Peptides,Cyclic polyketides,3-Spirotetramic acids,Drechslera,432344.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Dothideomycetes'],['Pleosporales'],['Pleosporaceae'],['Unknown'],['Drechslera'],['Unknown'],1,2,4.781713008880615 157008,7026,320,Amino acids and Peptides,Cyclic polyketides,Cyanogenic glycosides,0.69542825,ISDB,FFIHXENRVXVAGQ-KZZKGCKGSA-N,"InChI=1S/C14H19NO6/c1-4-5-8-6-7-9(16)10(17)14(8)11(18)13(2,20)15(21-3)12(14)19/h5-7,10-11,17-18,20H,4H2,1-3H3/b8-5-/t10-,11-,13+,14+/m0/s1",CC/C=C1/C=CC(=O)[C@H](O)[C@]12C(=O)N(OC)[C@](C)(O)[C@@H]2O,C14H19NO6,,297.121237328,FFIHXENRVXVAGQ,Amino acids and Peptides,Cyclic polyketides,3-Spirotetramic acids,Pyrenophora tritici-repentis,85506.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Dothideomycetes'],['Pleosporales'],['Pleosporaceae'],['Unknown'],['Pyrenophora'],['Pyrenophora tritici-repentis'],1,2,4.781713008880615 154825,7025,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.5678822,ISDB,KIQXKOUFPHTUQS-MTXIQXFFSA-N,"InChI=1S/C15H24O/c1-10(9-16)8-13-6-4-11(2)14-7-5-12(3)15(13)14/h8,11,13-14,16H,4-7,9H2,1-3H3/b10-8+/t11-,13+,14-/m1/s1",CC1=C2[C@H](/C=C(\C)CO)CC[C@@H](C)[C@H]2CC1,C15H24O,,220.182715388,KIQXKOUFPHTUQS,Terpenoids,Sesquiterpenoids,Valerenane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,2,9.271528720855713 154821,7017,759,Alkaloids,Tyrosine alkaloids,Terpenoid alkaloids,0.0,MS1_match,ULNMNTRLMCFPLP-FLATUHHWSA-N,"InChI=1S/C20H25NO/c1-10-5-19-8-14-16-18(2)6-12(22)7-20(16)15(19)4-11(10)3-13(19)17(20)21(14)9-18/h11,13-17H,1,3-9H2,2H3/t11-,13+,14-,15+,16+,17+,18-,19-,20+/m0/s1",C=C1C[C@@]23C[C@H]4[C@@H]5[C@@]6(C)CC(=O)C[C@@]57[C@@H]2C[C@@H]1C[C@@H]3[C@H]7N4C6,C20H25NO,pos_1_1proton,295.19361442,ULNMNTRLMCFPLP,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum tanguticum,1088652.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum tanguticum'],6,3,7.5 154808,7015,53,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.42561868,ISDB,UPFYDFUDOLTMGS-JXIJRUCRSA-N,"InChI=1S/C19H30O9/c1-9-7-11(21)16(25)18(3,4)19(9,26)6-5-10(2)27-17-15(24)14(23)13(22)12(8-20)28-17/h5-7,10,12-17,20,22-26H,8H2,1-4H3/b6-5+/t10-,12+,13+,14-,15+,16-,17+,19+/m0/s1",CC1=CC(=O)[C@H](O)C(C)(C)[C@@]1(O)/C=C/[C@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O9,,402.18898254,UPFYDFUDOLTMGS,Terpenoids,Apocarotenoids,Megastigmanes,Sauropus androgynus,855617.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Sauropus'],['Sauropus androgynus'],4,2,6.7024747133255005 154736,7014,7,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.20232263,ISDB,RSVFJNWBMXVMGE-LXQXRHSASA-N,"InChI=1S/C40H54O3/c1-29(17-13-19-31(3)21-23-36-33(5)25-34(41)26-38(36,6)7)15-11-12-16-30(2)18-14-20-32(4)22-24-37(43)40(10)28-35(42)27-39(40,8)9/h11-24,34,41H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t34-,40+/m1/s1",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C(=O)[C@]2(C)CC(=O)CC2(C)C)C(C)(C)C[C@H](O)C1,C40H54O3,,582.407295588,RSVFJNWBMXVMGE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],4,2,5.809290528297424 154735,7011,851,Alkaloids,Small peptides,Pyrrolidine alkaloids,0.0,MS1_match,SECXISVLQFMRJM-UHFFFAOYSA-N,"InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3",CN1CCCC1=O,C5H9NO,pos_1_1proton1methanol,99.068413908,SECXISVLQFMRJM,Alkaloids,Ornithine alkaloids,Pyrrolidine alkaloids,Microtropis japonica,828316.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Microtropis'],['Microtropis japonica'],6,3,7.5 154730,7009,-1,,,,0.28034496,ISDB,LSXRGRHXZNJETP-KOXDZAGOSA-N,"InChI=1S/C26H42O4/c1-20(11-8-9-16-23-14-6-5-7-15-23)12-10-13-21(2)18-26(4)19-22(3)24(29-30-26)17-25(27)28/h5-7,14-15,20-22,24H,8-13,16-19H2,1-4H3,(H,27,28)/t20-,21+,22-,24-,26+/m0/s1",C[C@@H](CCCCc1ccccc1)CCC[C@@H](C)C[C@]1(C)C[C@H](C)[C@H](CC(=O)O)OO1,C26H42O4,,418.308309824,LSXRGRHXZNJETP,Polyketides,Linear polyketides,Open-chain polyketides,Xestospongia deweerdtae,4939102.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Haplosclerida'],['Petrosiidae'],['Unknown'],['Xestospongia'],['Xestospongia deweerdtae'],1,0,2.121379852294922 154717,7008,-1,,,,0.44323298,ISDB,RMZWZXDQVAILGH-SRHDKNENSA-N,"InChI=1S/C26H30O5/c1-17(2)15-21(31-4)16-18(3)5-11-22-25(29)14-12-23(26(22)30)24(28)13-8-19-6-9-20(27)10-7-19/h5-10,12-15,21,27,29-30H,11,16H2,1-4H3/b13-8+,18-5+/t21-/m1/s1",CO[C@H](C=C(C)C)C/C(C)=C/Cc1c(O)ccc(C(=O)/C=C/c2ccc(O)cc2)c1O,C26H30O5,,422.2093240599999,RMZWZXDQVAILGH,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Artocarpus nobilis,6107972.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Artocarpus'],['Artocarpus nobilis'],4,0,5.772931933403015 154706,7006,404,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BGDMXWQJUGENQP-QPCLWJSESA-N,"InChI=1S/C21H34O11/c1-9(2)3-15(25)32-20-16-11(4-13(24)12(16)5-22)10(7-29-20)8-30-21-19(28)18(27)17(26)14(6-23)31-21/h7,9,11-14,16-24,26-28H,3-6,8H2,1-2H3/t11-,12+,13+,14-,16+,17-,18+,19-,20+,21-/m1/s1",CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2C[C@H](O)[C@H](CO)[C@@H]12,C21H34O11,pos_1_sodium,462.2101119079999,BGDMXWQJUGENQP,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,3,7.5 154707,7006,404,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BGDMXWQJUGENQP-QPCLWJSESA-N,"InChI=1S/C21H34O11/c1-9(2)3-15(25)32-20-16-11(4-13(24)12(16)5-22)10(7-29-20)8-30-21-19(28)18(27)17(26)14(6-23)31-21/h7,9,11-14,16-24,26-28H,3-6,8H2,1-2H3/t11-,12+,13+,14-,16+,17-,18+,19-,20+,21-/m1/s1",CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2C[C@H](O)[C@H](CO)[C@@H]12,C21H34O11,pos_1_sodium,462.2101119079999,BGDMXWQJUGENQP,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana fauriei,228778.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana fauriei'],6,3,7.5 154708,7006,404,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BGDMXWQJUGENQP-QPCLWJSESA-N,"InChI=1S/C21H34O11/c1-9(2)3-15(25)32-20-16-11(4-13(24)12(16)5-22)10(7-29-20)8-30-21-19(28)18(27)17(26)14(6-23)31-21/h7,9,11-14,16-24,26-28H,3-6,8H2,1-2H3/t11-,12+,13+,14-,16+,17-,18+,19-,20+,21-/m1/s1",CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2C[C@H](O)[C@H](CO)[C@@H]12,C21H34O11,pos_1_sodium,462.2101119079999,BGDMXWQJUGENQP,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia gibbosa,231859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia gibbosa'],6,3,7.5 154709,7006,404,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BGDMXWQJUGENQP-UHFFFAOYSA-N,"InChI=1S/C21H34O11/c1-9(2)3-15(25)32-20-16-11(4-13(24)12(16)5-22)10(7-29-20)8-30-21-19(28)18(27)17(26)14(6-23)31-21/h7,9,11-14,16-24,26-28H,3-6,8H2,1-2H3",CC(C)CC(=O)OC1OC=C(COC2OC(CO)C(O)C(O)C2O)C2CC(O)C(CO)C12,C21H34O11,pos_1_sodium,462.2101119079999,BGDMXWQJUGENQP,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia scabiosifolia,231856.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia scabiosifolia'],6,3,7.5 154710,7006,404,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BGDMXWQJUGENQP-QPCLWJSESA-N,"InChI=1S/C21H34O11/c1-9(2)3-15(25)32-20-16-11(4-13(24)12(16)5-22)10(7-29-20)8-30-21-19(28)18(27)17(26)14(6-23)31-21/h7,9,11-14,16-24,26-28H,3-6,8H2,1-2H3/t11-,12+,13+,14-,16+,17-,18+,19-,20+,21-/m1/s1",CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2C[C@H](O)[C@H](CO)[C@@H]12,C21H34O11,pos_1_sodium,462.2101119079999,BGDMXWQJUGENQP,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,3,7.5 154711,7006,404,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BGDMXWQJUGENQP-QPCLWJSESA-N,"InChI=1S/C21H34O11/c1-9(2)3-15(25)32-20-16-11(4-13(24)12(16)5-22)10(7-29-20)8-30-21-19(28)18(27)17(26)14(6-23)31-21/h7,9,11-14,16-24,26-28H,3-6,8H2,1-2H3/t11-,12+,13+,14-,16+,17-,18+,19-,20+,21-/m1/s1",CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2C[C@H](O)[C@H](CO)[C@@H]12,C21H34O11,pos_1_sodium,462.2101119079999,BGDMXWQJUGENQP,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana fauriei,228778.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana fauriei'],6,3,7.5 154712,7006,404,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BGDMXWQJUGENQP-QPCLWJSESA-N,"InChI=1S/C21H34O11/c1-9(2)3-15(25)32-20-16-11(4-13(24)12(16)5-22)10(7-29-20)8-30-21-19(28)18(27)17(26)14(6-23)31-21/h7,9,11-14,16-24,26-28H,3-6,8H2,1-2H3/t11-,12+,13+,14-,16+,17-,18+,19-,20+,21-/m1/s1",CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2C[C@H](O)[C@H](CO)[C@@H]12,C21H34O11,pos_1_sodium,462.2101119079999,BGDMXWQJUGENQP,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia gibbosa,231859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia gibbosa'],6,3,7.5 154713,7006,404,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BGDMXWQJUGENQP-UHFFFAOYSA-N,"InChI=1S/C21H34O11/c1-9(2)3-15(25)32-20-16-11(4-13(24)12(16)5-22)10(7-29-20)8-30-21-19(28)18(27)17(26)14(6-23)31-21/h7,9,11-14,16-24,26-28H,3-6,8H2,1-2H3",CC(C)CC(=O)OC1OC=C(COC2OC(CO)C(O)C(O)C2O)C2CC(O)C(CO)C12,C21H34O11,pos_1_sodium,462.2101119079999,BGDMXWQJUGENQP,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia scabiosifolia,231856.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia scabiosifolia'],6,3,7.5 154714,7006,404,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,RKKLMLPXHGWOKI-FXHXVMKNSA-N,"InChI=1S/C21H34O11/c1-10-5-31-21(11(2)3-4-12(10)21)9-30-18-16(25)15(24)14(23)13(32-18)6-28-19-17(26)20(27,7-22)8-29-19/h3,10,12-19,22-27H,4-9H2,1-2H3/t10-,12-,13-,14-,15+,16-,17+,18-,19-,20-,21-/m1/s1",CC1=CC[C@@H]2[C@H](C)CO[C@]12CO[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C21H34O11,pos_1_sodium,462.2101119079999,RKKLMLPXHGWOKI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia scabra,68239.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia scabra'],6,3,7.5 154715,7006,404,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LANCLZFYVLANQS-RHMPUOGUSA-N,"InChI=1S/C21H34O11/c1-9(2)4-14(24)32-19-15-11(5-13(23)21(15,3)28)10(7-29-19)8-30-20-18(27)17(26)16(25)12(6-22)31-20/h7,9,11-13,15-20,22-23,25-28H,4-6,8H2,1-3H3/t11-,12-,13+,15-,16-,17+,18-,19+,20-,21-/m1/s1",CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2C[C@H](O)[C@@](C)(O)[C@@H]12,C21H34O11,pos_1_sodium,462.210111908,LANCLZFYVLANQS,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,3,7.5 154716,7006,404,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LANCLZFYVLANQS-RHMPUOGUSA-N,"InChI=1S/C21H34O11/c1-9(2)4-14(24)32-19-15-11(5-13(23)21(15,3)28)10(7-29-19)8-30-20-18(27)17(26)16(25)12(6-22)31-20/h7,9,11-13,15-20,22-23,25-28H,4-6,8H2,1-3H3/t11-,12-,13+,15-,16-,17+,18-,19+,20-,21-/m1/s1",CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2C[C@H](O)[C@@](C)(O)[C@@H]12,C21H34O11,pos_1_sodium,462.210111908,LANCLZFYVLANQS,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia gibbosa,231859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia gibbosa'],6,3,7.5 154625,7003,417,Fatty acids,Diterpenoids,Norkaurane diterpenoids,0.67126364,ISDB,SDJMNNDDHQWWJH-UXCAXZQLSA-N,"InChI=1S/C18H26O3/c1-16-6-5-14(20)8-12(16)4-7-17-9-13(2-3-15(16)17)18(21,10-17)11-19/h5-6,12-13,15,19,21H,2-4,7-11H2,1H3/t12-,13-,15+,16-,17+,18+/m1/s1",C[C@@]12C=CC(=O)C[C@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@@](O)(CO)C3,C18H26O3,,290.188194692,SDJMNNDDHQWWJH,Terpenoids,Diterpenoids,Norkaurane diterpenoids,Diplospora dubia,729058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Coffeeae'],['Diplospora'],['Diplospora dubia'],4,3,8.185054540634155 154617,7000,-1,,,,0.36144698,ISDB,RPYOBVFUJCZQDA-MUFCHLESSA-N,"InChI=1S/C19H21NO5/c1-24-17-11-13(3-9-16(17)22)4-10-19(23)20-12-18(25-2)14-5-7-15(21)8-6-14/h3-11,18,21-22H,12H2,1-2H3,(H,20,23)/b10-4+/t18-/m0/s1",COc1cc(/C=C/C(=O)NC[C@H](OC)c2ccc(O)cc2)ccc1O,C19H21NO5,,343.141972772,RPYOBVFUJCZQDA,Amino acids and Peptides,Phenylpropanoids (C6-C3),Cinnamic acid amides,Solanum nigrum,494831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nigrum'],0,0,1.4457879066467285 154618,7000,-1,,,,0.36144698,ISDB,RPYOBVFUJCZQDA-YDMXYTAQSA-N,"InChI=1S/C19H21NO5/c1-24-17-11-13(3-9-16(17)22)4-10-19(23)20-12-18(25-2)14-5-7-15(21)8-6-14/h3-11,18,21-22H,12H2,1-2H3,(H,20,23)/b10-4+/t18-/m1/s1",COc1cc(/C=C/C(=O)NC[C@@H](OC)c2ccc(O)cc2)ccc1O,C19H21NO5,,343.141972772,RPYOBVFUJCZQDA,Amino acids and Peptides,Phenylpropanoids (C6-C3),Cinnamic acid amides,Isodon excisus,624040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Ocimeae'],['Isodon'],['Isodon excisus'],0,0,1.4457879066467285 154595,6999,37,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.85616654,ISDB,MGUTYWPZCZBAGE-JZDIRDTQSA-N,"InChI=1S/C44H78NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-17-15-13-11-9-7-2/h14,16,19-20,22-23,25,27,31,33,42H,6-13,15,17-18,21,24,26,28-30,32,34-41H2,1-5H3/b16-14-,20-19-,23-22-,27-25-,33-31-/t42-/m1/s1",CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C,C44H78NO8P,,779.546505086,MGUTYWPZCZBAGE,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Lysiphlebia japonica,697724.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hymenoptera'],['Braconidae'],['Unknown'],['Lysiphlebia'],['Lysiphlebia japonica'],1,3,5.924666166305542 154596,6999,37,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.85616654,ISDB,MGUTYWPZCZBAGE-JZDIRDTQSA-N,"InChI=1S/C44H78NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-17-15-13-11-9-7-2/h14,16,19-20,22-23,25,27,31,33,42H,6-13,15,17-18,21,24,26,28-30,32,34-41H2,1-5H3/b16-14-,20-19-,23-22-,27-25-,33-31-/t42-/m1/s1",CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C,C44H78NO8P,,779.546505086,MGUTYWPZCZBAGE,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Aphis gossypii,1026471.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hemiptera'],['Aphididae'],['Aphidini'],['Aphis'],['Aphis gossypii'],1,3,5.924666166305542 154594,6995,314,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.20451538,ISDB,,,,,,,ATMJFTPNMIAKJH,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.8180615305900574 154593,6994,322,Fatty acids,Sphingolipids,Ceramides,0.20731613,ISDB,RNZAVYLVSMBVIV-MUPZXDJASA-N,"InChI=1S/C34H67NO7S/c1-29(2)24-20-16-12-8-6-5-7-9-14-18-22-26-32(36)31(28-42-43(39,40)41)35-34(38)33(37)27-23-19-15-11-10-13-17-21-25-30(3)4/h22,26,29-33,36-37H,5-21,23-25,27-28H2,1-4H3,(H,35,38)(H,39,40,41)/b26-22+/t31-,32+,33+/m0/s1",CC(C)CCCCCCCCCCC/C=C/[C@@H](O)[C@H](COS(=O)(=O)O)NC(=O)[C@H](O)CCCCCCCCCCC(C)C,C34H67NO7S,,633.463824484,RNZAVYLVSMBVIV,Fatty acids,Sphingolipids,Ceramides,Discodermia calyx,2839673.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Tetractinellida'],['Theonellidae'],['Unknown'],['Discodermia'],['Discodermia calyx'],1,3,3.329264521598816 154508,6993,222,Terpenoids,Sesquiterpenoids,Other Octadecanoids,0.6907837,ISDB,SDJMNNDDHQWWJH-UXCAXZQLSA-N,"InChI=1S/C18H26O3/c1-16-6-5-14(20)8-12(16)4-7-17-9-13(2-3-15(16)17)18(21,10-17)11-19/h5-6,12-13,15,19,21H,2-4,7-11H2,1H3/t12-,13-,15+,16-,17+,18+/m1/s1",C[C@@]12C=CC(=O)C[C@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@@](O)(CO)C3,C18H26O3,,290.188194692,SDJMNNDDHQWWJH,Terpenoids,Diterpenoids,Norkaurane diterpenoids,Diplospora dubia,729058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Coffeeae'],['Diplospora'],['Diplospora dubia'],4,1,7.263134717941284 154493,6987,-1,,,,0.0,MS1_match,TYWXNGXVSZRXNA-NVZSGMJQSA-N,"InChI=1S/C11H16O8/c12-3-6-8(14)9(15)10(16)11(19-6)17-4-5-1-2-7(13)18-5/h1-2,5-6,8-12,14-16H,3-4H2/t5-,6+,8+,9-,10+,11+/m0/s1",O=C1C=C[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O1,C11H16O8,pos_2MK,276.084517472,TYWXNGXVSZRXNA,,,,Clematis ligusticifolia,964063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis ligusticifolia'],8,0,8.0 154487,6985,-1,,,,0.0,MS1_match,TUNFSRHWOTWDNC-UHFFFAOYSA-N,"InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)",CCCCCCCCCCCCCC(=O)O,C14H28O2,pos_1_1proton1acetonitrile,228.208930136,TUNFSRHWOTWDNC,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Nigella sativa,142360.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Nigelleae'],['Nigella'],['Nigella sativa'],6,0,6.0 154488,6985,-1,,,,0.0,MS1_match,TUNFSRHWOTWDNC-UHFFFAOYSA-N,"InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)",CCCCCCCCCCCCCC(=O)O,C14H28O2,pos_1_1proton1acetonitrile,228.208930136,TUNFSRHWOTWDNC,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Staphisagria macrosperma,969162.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Staphisagria'],['Staphisagria macrosperma'],6,0,6.0 154489,6985,-1,,,,0.0,MS1_match,TUNFSRHWOTWDNC-UHFFFAOYSA-N,"InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)",CCCCCCCCCCCCCC(=O)O,C14H28O2,pos_1_1proton1acetonitrile,228.208930136,TUNFSRHWOTWDNC,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Delphinium staphisagria,969162.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Staphisagria'],['Staphisagria macrosperma'],6,0,6.0 154490,6985,-1,,,,0.0,MS1_match,TUNFSRHWOTWDNC-UHFFFAOYSA-N,"InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)",CCCCCCCCCCCCCC(=O)O,C14H28O2,pos_1_1proton1acetonitrile,228.208930136,TUNFSRHWOTWDNC,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Aconitum japonicum,5511352.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum japonicum'],6,0,6.0 154491,6985,-1,,,,0.0,MS1_match,TUNFSRHWOTWDNC-UHFFFAOYSA-N,"InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)",CCCCCCCCCCCCCC(=O)O,C14H28O2,pos_1_1proton1acetonitrile,228.208930136,TUNFSRHWOTWDNC,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Thalictrum revolutum,421843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum revolutum'],6,0,6.0 154492,6985,-1,,,,0.0,MS1_match,HQRWEDFDJHDPJC-UHFFFAOYSA-N,"InChI=1S/C33H66O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33(34)35/h2-32H2,1H3,(H,34,35)",CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O,C33H66O2,pos_2_2sodium,494.506281352,HQRWEDFDJHDPJC,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Tripterygium wilfordii,300831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium wilfordii'],6,0,6.0 154484,6984,285,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.3636054,ISDB,XXQZXARMTRVCHW-VSMYQFNNSA-N,"InChI=1S/C35H54O6/c1-20(2)21(3)10-11-22(4)25-14-15-32(8)26-12-13-27-33(9,30(38)39)28(40-23(5)36)18-29(41-24(6)37)35(27)19-34(26,35)17-16-31(25,32)7/h20,22,25-29H,3,10-19H2,1-2,4-9H3,(H,38,39)/t22-,25-,26+,27+,28+,29+,31-,32+,33+,34+,35-/m1/s1",C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@](C)(C(=O)O)[C@@H](OC(C)=O)C[C@H](OC(C)=O)[C@@]45C[C@@]35CC[C@]12C)C(C)C,C35H54O6,,570.392039448,XXQZXARMTRVCHW,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Combretum quadrangulare,6119919.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Combretaceae'],['Unknown'],['Combretum'],['Combretum quadrangulare'],4,2,6.454421639442444 154465,6980,679,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,0.43647423,ISDB,JZVYLXIIJTXKCL-CSQYNZLRSA-N,"InChI=1S/C22H38O4/c1-17(2)12-13-22(25)19(4)9-7-11-21(16-26-20(5)24)10-6-8-18(3)14-15-23/h10,12,14,19,22-23,25H,6-9,11,13,15-16H2,1-5H3/b18-14+,21-10-/t19-,22+/m0/s1",CC(=O)OC/C(=C\CC/C(C)=C/CO)CCC[C@H](C)[C@H](O)CC=C(C)C,C22H38O4,,366.277009696,JZVYLXIIJTXKCL,Terpenoids,Diterpenoids,Phytane diterpenoids,Carpesium triste,792531.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Carpesium'],['Carpesium triste'],4,2,6.745896935462952 154457,6979,937,Terpenoids,Monoterpenoids,Quinoline alkaloids,0.24727815,ISDB,IJGDGRMCHJUXEN-UHFFFAOYSA-N,"InChI=1S/C20H29NO3/c1-5-6-7-8-9-10-11-15-12-13-16(23-3)18-17(15)19(22)20(24-4)14(2)21-18/h12-13H,5-11H2,1-4H3,(H,21,22)",CCCCCCCCc1ccc(OC)c2[nH]c(C)c(OC)c(=O)c12,C20H29NO3,,331.214743788,IJGDGRMCHJUXEN,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,Waltheria indica,1039214.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Waltheria'],['Waltheria indica'],4,3,6.489112615585327 154393,6977,94,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.7919946,ISDB,ZCCLDKGWJIREQF-PDBXOOCHSA-N,"InChI=1S/C21H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23/h3-4,6-7,9-10,20,22-23H,2,5,8,11-19H2,1H3/b4-3-,7-6-,10-9-",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC(CO)CO,C21H36O4,,352.261359632,ZCCLDKGWJIREQF,Fatty acids,Glycerolipids,Monoacylglycerols,Halimodendron halodendron,761641.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Caraganeae'],['Halimodendron'],['Halimodendron halodendron'],4,1,7.667978286743164 154384,6974,21,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,IACGCNCKRUFSAK-BKJBWSIDSA-N,"InChI=1S/C22H30O13/c1-9-15(25)17(27)19(29)21(33-9)32-8-13-16(26)18(28)20(30)22(34-13)35-14(24)6-4-10-3-5-11(23)12(7-10)31-2/h3-7,9,13,15-23,25-30H,8H2,1-2H3/b6-4+/t9-,13+,15-,16+,17+,18-,19+,20+,21+,22-/m0/s1",COc1cc(/C=C/C(=O)O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C22H30O13,pos_1_1proton1acetonitrile,502.16864102,IACGCNCKRUFSAK,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis terniflora var. mandshurica,446556.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis terniflora'],8,3,9.5 154383,6971,-1,,,,0.0,MS1_match,SFJFCIDQFBVZLY-UHFFFAOYSA-N,"InChI=1S/C20H34O2/c1-17(2)8-4-9-20(13-21)15(17)7-10-19-11-14(5-6-16(19)20)18(3,22)12-19/h14-16,21-22H,4-13H2,1-3H3",CC1(C)CCCC2(CO)C1CCC13CC(CCC12)C(C)(O)C3,C20H34O2,pos_1_minus1proton2sodium,306.255880328,SFJFCIDQFBVZLY,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Aconitum coreanum,377294.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum coreanum'],6,0,6.0 154382,6968,1154,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,0.24371113,ISDB,OEBUJDRTQIBBBJ-GJZGRUSLSA-N,"InChI=1S/C17H28O6/c1-12(9-13(2)10-16(20)21)7-5-3-4-6-8-15(19)14(11-18)17(22)23/h9-10,14-15,18-19H,3-8,11H2,1-2H3,(H,20,21)(H,22,23)/t14-,15-/m0/s1",CC(=CC(=O)O)C=C(C)CCCCCC[C@H](O)[C@H](CO)C(=O)O,C17H28O6,,328.188588616,OEBUJDRTQIBBBJ,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Fusarium solani,137469.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Hypocreales'],['Nectriaceae'],['Unknown'],['Fusarium'],['Fusarium solani'],1,3,3.474844515323639 154380,6965,-1,,,,0.24598637,ISDB,DRDVPYZXOPJSOY-MLVYIAKBSA-N,"InChI=1S/C37H54O16/c1-7-37(6,16-8-9-18(2)3)53-36-30(45)28(43)26(41)23(50-36)17-47-34-31(46)33(52-35-29(44)27(42)25(40)19(4)48-35)32(20(5)49-34)51-24(39)15-12-21-10-13-22(38)14-11-21/h7,9-15,19-20,23,25-36,38,40-46H,1,8,16-17H2,2-6H3/b15-12+/t19-,20-,23+,25-,26+,27+,28-,29+,30+,31+,32-,33-,34+,35-,36-,37-/m0/s1",C=C[C@@](C)(CCC=C(C)C)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](OC(=O)/C=C/c3ccc(O)cc3)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C37H54O16,,754.341185648,DRDVPYZXOPJSOY,Terpenoids,Sesquiterpenoids,,Eriobotrya deflexa,623252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya deflexa'],4,0,4.9839454889297485 154378,6964,-1,,,,0.0,MS1_match,SUGOCCUAKZVLFE-SDTHRHJYSA-N,"InChI=1S/C19H28O10/c1-2-3-6-27-18(26)12(22)8-10-4-5-13(11(21)7-10)28-19-17(25)16(24)15(23)14(9-20)29-19/h4-5,7,12,14-17,19-25H,2-3,6,8-9H2,1H3/t12-,14-,15-,16+,17-,19-/m1/s1",CCCCOC(=O)[C@H](O)Cc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1,C19H28O10,pos_1_1sodium1acetonitrile,416.168247096,SUGOCCUAKZVLFE,,,,Ranunculus chinensis,162150.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus chinensis'],6,0,6.0 154379,6964,-1,,,,0.0,MS1_match,SUGOCCUAKZVLFE-SDTHRHJYSA-N,"InChI=1S/C19H28O10/c1-2-3-6-27-18(26)12(22)8-10-4-5-13(11(21)7-10)28-19-17(25)16(24)15(23)14(9-20)29-19/h4-5,7,12,14-17,19-25H,2-3,6,8-9H2,1H3/t12-,14-,15-,16+,17-,19-/m1/s1",CCCCOC(=O)[C@H](O)Cc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1,C19H28O10,pos_1_1sodium1acetonitrile,416.168247096,SUGOCCUAKZVLFE,,,,Ranunculus cantoniensis,118756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus cantoniensis'],6,0,6.0 154376,6960,159,Terpenoids,Sesquiterpenoids,Drimane sesquiterpenoids,0.25965098,ISDB,PFUZNBJKDVPHJT-ZJOBFFGXSA-N,"InChI=1S/C17H24O4/c1-10(18)21-13-7-8-17(4)12(16(13,2)3)6-5-11-9-20-15(19)14(11)17/h5,12-14H,6-9H2,1-4H3/t12-,13-,14+,17-/m0/s1",CC(=O)O[C@H]1CC[C@]2(C)[C@H]3C(=O)OCC3=CC[C@H]2C1(C)C,C17H24O4,,292.167459248,PFUZNBJKDVPHJT,Terpenoids,Sesquiterpenoids,Drimane sesquiterpenoids,Drimys winteri,777325.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Canellales'],['Winteraceae'],['Unknown'],['Drimys'],['Drimys winteri'],4,3,6.538603901863098 154375,6954,-1,,,,0.0,MS1_match,YHPFWEDUGHFFTA-UHFFFAOYSA-N,"InChI=1S/C24H32O4/c1-22-10-7-17(25)13-16(22)4-5-20-19(22)8-11-23(2)18(9-12-24(20,23)27)15-3-6-21(26)28-14-15/h3,6,14,16,18-20,27H,4-5,7-13H2,1-2H3",CC12CCC(=O)CC1CCC1C2CCC2(C)C(c3ccc(=O)oc3)CCC12O,C24H32O4,pos_1_1proton1acetonitrile,384.230059504,YHPFWEDUGHFFTA,Terpenoids,Steroids,Bufadienolides,Helleborus odorus,648059.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Helleboreae'],['Helleborus'],['Helleborus odorus'],6,0,6.0 154286,6953,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-FIIQKEKKSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15?,16+,17-,18+,19-,20+,21?,22+,23+,24?/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)C34C1C(C[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C24H39NO5,pos_1_1proton,421.282823348,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum nemorum,44343.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum nemorum'],6,3,7.5 154287,6953,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-QKNOXMJZSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13?,14?,15?,16-,17?,18?,19?,20?,21?,22-,23-,24?/m0/s1",CCN1C[C@]2(COC)CCC(OC)C34C5CC6C(O)C5[C@](O)(C[C@@H]6OC)C(CC32)C14,C24H39NO5,pos_1_1proton,421.282823348,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum kongboense,723190.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum kongboense'],6,3,7.5 154288,6953,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-NPNNQAKASA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15?,16+,17-,18+,19-,20+,21?,22+,23+,24-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@]34C1C(C[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C24H39NO5,pos_1_1proton,421.2828233479999,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum tanguticum,1088652.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum tanguticum'],6,3,7.5 154289,6953,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-OGVVJMRYSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15+,16+,17-,18+,19-,20+,21-,22+,23+,24-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C24H39NO5,pos_1_1proton,421.2828233479999,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum soongoricum,6131511.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum soongoricum'],6,3,7.5 154290,6953,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-OGVVJMRYSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15+,16+,17-,18+,19-,20+,21-,22+,23+,24-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C24H39NO5,pos_1_1proton,421.2828233479999,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum nagarum,488235.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum nagarum'],6,3,7.5 154291,6953,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-FIIQKEKKSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15?,16+,17-,18+,19-,20+,21?,22+,23+,24?/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)C34C1C(C[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C24H39NO5,pos_1_1proton,421.282823348,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium gueneri,6131660.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium gueneri'],6,3,7.5 154292,6953,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-FIIQKEKKSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15?,16+,17-,18+,19-,20+,21?,22+,23+,24?/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)C34C1C(C[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C24H39NO5,pos_1_1proton,421.282823348,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum hemsleyanum,511674.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum hemsleyanum'],6,3,7.5 154293,6953,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-FIIQKEKKSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15?,16+,17-,18+,19-,20+,21?,22+,23+,24?/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)C34C1C(C[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C24H39NO5,pos_1_1proton,421.282823348,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum forrestii,556432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum forrestii'],6,3,7.5 154294,6953,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-UHFFFAOYSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3",CCN1CC2(COC)CCC(OC)C34C5CC6C(OC)CC(O)(C(CC23)C14)C5C6O,C24H39NO5,pos_1_1proton,421.2828233479999,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum talassicum,5737809.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum talassicum'],6,3,7.5 154295,6953,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-FIIQKEKKSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15?,16+,17-,18+,19-,20+,21?,22+,23+,24?/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)C34C1C(C[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C24H39NO5,pos_1_1proton,421.282823348,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum jaluense,549539.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum jaluense'],6,3,7.5 154296,6953,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-FIIQKEKKSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15?,16+,17-,18+,19-,20+,21?,22+,23+,24?/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)C34C1C(C[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C24H39NO5,pos_1_1proton,421.282823348,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum legendrei,44349.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum legendrei'],6,3,7.5 154297,6953,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-FIIQKEKKSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15?,16+,17-,18+,19-,20+,21?,22+,23+,24?/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)C34C1C(C[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C24H39NO5,pos_1_1proton,421.282823348,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum vilmorinianum,976183.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum vilmorinianum'],6,3,7.5 154298,6953,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-FIIQKEKKSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15?,16+,17-,18+,19-,20+,21?,22+,23+,24?/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)C34C1C(C[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C24H39NO5,pos_1_1proton,421.282823348,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum carmichaelii,549536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum carmichaelii'],6,3,7.5 154299,6953,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-OGVVJMRYSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15+,16+,17-,18+,19-,20+,21-,22+,23+,24-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C24H39NO5,pos_1_1proton,421.2828233479999,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum transsectum,909685.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum transsectum'],6,3,7.5 154300,6953,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-OGVVJMRYSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15+,16+,17-,18+,19-,20+,21-,22+,23+,24-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C24H39NO5,pos_1_1proton,421.2828233479999,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum cochleare,7591220.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum cochleare'],6,3,7.5 154301,6953,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-OGVVJMRYSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15+,16+,17-,18+,19-,20+,21-,22+,23+,24-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C24H39NO5,pos_1_1proton,421.2828233479999,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium linearilobum,7591246.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium linearilobum'],6,3,7.5 154302,6953,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-OGVVJMRYSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15+,16+,17-,18+,19-,20+,21-,22+,23+,24-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C24H39NO5,pos_1_1proton,421.2828233479999,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium crispulum,309502.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium crispulum'],6,3,7.5 154303,6953,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-OGVVJMRYSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15+,16+,17-,18+,19-,20+,21-,22+,23+,24-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C24H39NO5,pos_1_1proton,421.2828233479999,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum columbianum,506026.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum columbianum'],6,3,7.5 154304,6953,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-FIIQKEKKSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15?,16+,17-,18+,19-,20+,21?,22+,23+,24?/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)C34C1C(C[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C24H39NO5,pos_1_1proton,421.282823348,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum dolichorhynchum,6131378.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum dolichorhynchum'],6,3,7.5 154305,6953,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-UHFFFAOYSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3",CCN1CC2(COC)CCC(OC)C34C5CC6C(OC)CC(O)(C(CC23)C14)C5C6O,C24H39NO5,pos_1_1proton,421.2828233479999,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum hemsleyanum var. circinatum,97183.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum hemsleyanum'],6,3,7.5 154306,6953,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-UHFFFAOYSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3",CCN1CC2(COC)CCC(OC)C34C5CC6C(OC)CC(O)(C(CC23)C14)C5C6O,C24H39NO5,pos_1_1proton,421.2828233479999,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum kusnezoffii,141633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum kusnezoffii'],6,3,7.5 154307,6953,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-UHFFFAOYSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3",CCN1CC2(COC)CCC(OC)C34C5CC6C(OC)CC(O)(C(CC23)C14)C5C6O,C24H39NO5,pos_1_1proton,421.2828233479999,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum carmichaeli,549536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum carmichaelii'],6,3,7.5 154308,6953,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.0,MS1_match,FEOORLCKDHTOCS-SMCICNQZSA-N,"InChI=1S/C24H39NO5/c1-6-25-11-22(2)8-7-15(29-4)24-13-9-12-14(28-3)10-23(27,16(13)18(12)26)17(21(24)25)19(30-5)20(22)24/h12-21,26-27H,6-11H2,1-5H3/t12-,13-,14+,15+,16-,17+,18+,19+,20-,21-,22+,23-,24+/m1/s1",CCN1C[C@]2(C)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H]([C@H](OC)[C@H]23)[C@@H]14,C24H39NO5,pos_1_1proton,421.2828233479999,FEOORLCKDHTOCS,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium roylei,6131791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium roylei'],6,3,7.5 154309,6953,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.0,MS1_match,XWDPXXKARIDOBG-SMCICNQZSA-N,"InChI=1S/C24H39NO5/c1-6-25-11-22(2)8-7-15(29-4)24-13-9-12-14(28-3)10-23(30-5,16(13)18(12)26)17(21(24)25)19(27)20(22)24/h12-21,26-27H,6-11H2,1-5H3/t12-,13-,14+,15+,16-,17+,18+,19+,20-,21-,22+,23-,24+/m1/s1",CCN1C[C@]2(C)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](OC)(C[C@@H]6OC)[C@@H]([C@H](O)[C@H]23)[C@@H]14,C24H39NO5,pos_1_1proton,421.2828233479999,XWDPXXKARIDOBG,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium gueneri,6131660.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium gueneri'],6,3,7.5 154310,6953,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.0,MS1_match,XWDPXXKARIDOBG-YXQJRNGSSA-N,"InChI=1S/C24H39NO5/c1-6-25-11-22(2)8-7-15(29-4)24-13-9-12-14(28-3)10-23(30-5,16(13)18(12)26)17(21(24)25)19(27)20(22)24/h12-21,26-27H,6-11H2,1-5H3/t12-,13-,14+,15+,16-,17+,18+,19-,20-,21-,22+,23-,24+/m1/s1",CCN1C[C@]2(C)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](OC)(C[C@@H]6OC)[C@@H]([C@@H](O)[C@H]23)[C@@H]14,C24H39NO5,pos_1_1proton,421.282823348,XWDPXXKARIDOBG,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium davisii,6131635.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium davisii'],6,3,7.5 154311,6953,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.0,MS1_match,XWDPXXKARIDOBG-SMCICNQZSA-N,"InChI=1S/C24H39NO5/c1-6-25-11-22(2)8-7-15(29-4)24-13-9-12-14(28-3)10-23(30-5,16(13)18(12)26)17(21(24)25)19(27)20(22)24/h12-21,26-27H,6-11H2,1-5H3/t12-,13-,14+,15+,16-,17+,18+,19+,20-,21-,22+,23-,24+/m1/s1",CCN1C[C@]2(C)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](OC)(C[C@@H]6OC)[C@@H]([C@H](O)[C@H]23)[C@@H]14,C24H39NO5,pos_1_1proton,421.2828233479999,XWDPXXKARIDOBG,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium virgatum,885406.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium virgatum'],6,3,7.5 154312,6953,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.0,MS1_match,XWDPXXKARIDOBG-DPMVDKOOSA-N,"InChI=1S/C24H39NO5/c1-6-25-11-22(2)8-7-15(29-4)24-13-9-12-14(28-3)10-23(30-5,16(13)18(12)26)17(21(24)25)19(27)20(22)24/h12-21,26-27H,6-11H2,1-5H3/t12-,13-,14+,15-,16-,17-,18-,19-,20+,21+,22-,23-,24-/m1/s1",CCN1C[C@@]2(C)CC[C@@H](OC)[C@]34[C@@H]5C[C@H]6[C@@H](O)[C@@H]5[C@](OC)(C[C@@H]6OC)[C@H]([C@@H](O)[C@@H]23)[C@H]14,C24H39NO5,pos_1_1proton,421.282823348,XWDPXXKARIDOBG,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium favargeri,209870.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium favargeri'],6,3,7.5 154313,6953,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.0,MS1_match,XWDPXXKARIDOBG-SMCICNQZSA-N,"InChI=1S/C24H39NO5/c1-6-25-11-22(2)8-7-15(29-4)24-13-9-12-14(28-3)10-23(30-5,16(13)18(12)26)17(21(24)25)19(27)20(22)24/h12-21,26-27H,6-11H2,1-5H3/t12-,13-,14+,15+,16-,17+,18+,19+,20-,21-,22+,23-,24+/m1/s1",CCN1C[C@]2(C)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](OC)(C[C@@H]6OC)[C@@H]([C@H](O)[C@H]23)[C@@H]14,C24H39NO5,pos_1_1proton,421.2828233479999,XWDPXXKARIDOBG,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium peregrinum,885398.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium peregrinum'],6,3,7.5 154314,6953,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.0,MS1_match,XWDPXXKARIDOBG-SMCICNQZSA-N,"InChI=1S/C24H39NO5/c1-6-25-11-22(2)8-7-15(29-4)24-13-9-12-14(28-3)10-23(30-5,16(13)18(12)26)17(21(24)25)19(27)20(22)24/h12-21,26-27H,6-11H2,1-5H3/t12-,13-,14+,15+,16-,17+,18+,19+,20-,21-,22+,23-,24+/m1/s1",CCN1C[C@]2(C)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](OC)(C[C@@H]6OC)[C@@H]([C@H](O)[C@H]23)[C@@H]14,C24H39NO5,pos_1_1proton,421.2828233479999,XWDPXXKARIDOBG,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium gueneri,6131660.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium gueneri'],6,3,7.5 154315,6953,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.0,MS1_match,XWDPXXKARIDOBG-YXQJRNGSSA-N,"InChI=1S/C24H39NO5/c1-6-25-11-22(2)8-7-15(29-4)24-13-9-12-14(28-3)10-23(30-5,16(13)18(12)26)17(21(24)25)19(27)20(22)24/h12-21,26-27H,6-11H2,1-5H3/t12-,13-,14+,15+,16-,17+,18+,19-,20-,21-,22+,23-,24+/m1/s1",CCN1C[C@]2(C)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](OC)(C[C@@H]6OC)[C@@H]([C@@H](O)[C@H]23)[C@@H]14,C24H39NO5,pos_1_1proton,421.282823348,XWDPXXKARIDOBG,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium davisii,6131635.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium davisii'],6,3,7.5 154316,6953,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.0,MS1_match,XWDPXXKARIDOBG-SMCICNQZSA-N,"InChI=1S/C24H39NO5/c1-6-25-11-22(2)8-7-15(29-4)24-13-9-12-14(28-3)10-23(30-5,16(13)18(12)26)17(21(24)25)19(27)20(22)24/h12-21,26-27H,6-11H2,1-5H3/t12-,13-,14+,15+,16-,17+,18+,19+,20-,21-,22+,23-,24+/m1/s1",CCN1C[C@]2(C)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](OC)(C[C@@H]6OC)[C@@H]([C@H](O)[C@H]23)[C@@H]14,C24H39NO5,pos_1_1proton,421.2828233479999,XWDPXXKARIDOBG,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium virgatum,885406.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium virgatum'],6,3,7.5 154317,6953,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.0,MS1_match,XWDPXXKARIDOBG-DPMVDKOOSA-N,"InChI=1S/C24H39NO5/c1-6-25-11-22(2)8-7-15(29-4)24-13-9-12-14(28-3)10-23(30-5,16(13)18(12)26)17(21(24)25)19(27)20(22)24/h12-21,26-27H,6-11H2,1-5H3/t12-,13-,14+,15-,16-,17-,18-,19-,20+,21+,22-,23-,24-/m1/s1",CCN1C[C@@]2(C)CC[C@@H](OC)[C@]34[C@@H]5C[C@H]6[C@@H](O)[C@@H]5[C@](OC)(C[C@@H]6OC)[C@H]([C@@H](O)[C@@H]23)[C@H]14,C24H39NO5,pos_1_1proton,421.282823348,XWDPXXKARIDOBG,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium favargeri,209870.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium favargeri'],6,3,7.5 154318,6953,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.0,MS1_match,XWDPXXKARIDOBG-SMCICNQZSA-N,"InChI=1S/C24H39NO5/c1-6-25-11-22(2)8-7-15(29-4)24-13-9-12-14(28-3)10-23(30-5,16(13)18(12)26)17(21(24)25)19(27)20(22)24/h12-21,26-27H,6-11H2,1-5H3/t12-,13-,14+,15+,16-,17+,18+,19+,20-,21-,22+,23-,24+/m1/s1",CCN1C[C@]2(C)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](OC)(C[C@@H]6OC)[C@@H]([C@H](O)[C@H]23)[C@@H]14,C24H39NO5,pos_1_1proton,421.2828233479999,XWDPXXKARIDOBG,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium peregrinum,885398.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium peregrinum'],6,3,7.5 154319,6953,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-FIIQKEKKSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15?,16+,17-,18+,19-,20+,21?,22+,23+,24?/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)C34C1C(C[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C24H39NO5,pos_1_1proton,421.282823348,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum sczukinii,7049059.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum sczukinii'],6,3,7.5 154320,6953,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-FIIQKEKKSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15?,16+,17-,18+,19-,20+,21?,22+,23+,24?/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)C34C1C(C[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C24H39NO5,pos_1_1proton,421.282823348,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum episcopale,50065.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum episcopale'],6,3,7.5 154321,6953,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-FIIQKEKKSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15?,16+,17-,18+,19-,20+,21?,22+,23+,24?/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)C34C1C(C[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C24H39NO5,pos_1_1proton,421.282823348,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum racemulosum,892121.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum racemulosum'],6,3,7.5 154322,6953,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-OGVVJMRYSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15+,16+,17-,18+,19-,20+,21-,22+,23+,24-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C24H39NO5,pos_1_1proton,421.2828233479999,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum macrorhynchum,7591226.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum macrorhynchum'],6,3,7.5 154323,6953,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-UHFFFAOYSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3",CCN1CC2(COC)CCC(OC)C34C5CC6C(OC)CC(O)(C(CC23)C14)C5C6O,C24H39NO5,pos_1_1proton,421.2828233479999,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum piepunense,384357.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum piepunense'],6,3,7.5 154324,6953,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-UHFFFAOYSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3",CCN1CC2(COC)CCC(OC)C34C5CC6C(OC)CC(O)(C(CC23)C14)C5C6O,C24H39NO5,pos_1_1proton,421.2828233479999,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum seravschanicum,395973.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum seravschanicum'],6,3,7.5 154325,6953,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-UHFFFAOYSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3",CCN1CC2(COC)CCC(OC)C34C5CC6C(OC)CC(O)(C(CC23)C14)C5C6O,C24H39NO5,pos_1_1proton,421.2828233479999,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum pseudostapfianum,1073593.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum tuguancunense'],6,3,7.5 154326,6953,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-UHFFFAOYSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3",CCN1CC2(COC)CCC(OC)C34C5CC6C(OC)CC(O)(C(CC23)C14)C5C6O,C24H39NO5,pos_1_1proton,421.2828233479999,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum triphyllum,6131530.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum triphyllum'],6,3,7.5 154327,6953,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-FIIQKEKKSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15?,16+,17-,18+,19-,20+,21?,22+,23+,24?/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)C34C1C(C[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C24H39NO5,pos_1_1proton,421.282823348,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Gymnaconitum gymnandrum,511673.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Gymnaconitum'],['Gymnaconitum gymnandrum'],6,3,7.5 154328,6953,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-FIIQKEKKSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15?,16+,17-,18+,19-,20+,21?,22+,23+,24?/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)C34C1C(C[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C24H39NO5,pos_1_1proton,421.282823348,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum japonicum,5511352.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum japonicum'],6,3,7.5 154329,6953,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-OGVVJMRYSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15+,16+,17-,18+,19-,20+,21-,22+,23+,24-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C24H39NO5,pos_1_1proton,421.2828233479999,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum variegatum,586783.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum variegatum'],6,3,7.5 154330,6953,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-OGVVJMRYSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15+,16+,17-,18+,19-,20+,21-,22+,23+,24-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C24H39NO5,pos_1_1proton,421.2828233479999,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum sanyoense,675791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum sanyoense'],6,3,7.5 154331,6953,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-FIIQKEKKSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15?,16+,17-,18+,19-,20+,21?,22+,23+,24?/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)C34C1C(C[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C24H39NO5,pos_1_1proton,421.282823348,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum forrestii,556432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum forrestii'],6,3,7.5 154332,6953,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-FIIQKEKKSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15?,16+,17-,18+,19-,20+,21?,22+,23+,24?/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)C34C1C(C[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C24H39NO5,pos_1_1proton,421.282823348,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum jaluense,549539.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum jaluense'],6,3,7.5 154333,6953,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.0,MS1_match,QYUGOUBBYKWQFZ-OPOJCKMMSA-N,"InChI=1S/C23H35NO4/c1-4-24-11-21(12-27-2)7-6-17(28-3)23-14-9-13-5-8-22(26,18(14)19(13)25)15(20(23)24)10-16(21)23/h5,8,13-20,25-26H,4,6-7,9-12H2,1-3H3/t13-,14+,15-,16+,17-,18+,19-,20+,21-,22-,23+/m0/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@@H]6C=C[C@@](O)([C@H]5[C@H]6O)[C@@H](C[C@H]23)[C@@H]14,C23H35NO4,pos_1_1proton1methanol,389.2566086,QYUGOUBBYKWQFZ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum liljestrandii,556434.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum liljestrandii'],6,3,7.5 154334,6953,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-FIIQKEKKSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15?,16+,17-,18+,19-,20+,21?,22+,23+,24?/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)C34C1C(C[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C24H39NO5,pos_1_1proton,421.282823348,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum legendrei,44349.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum legendrei'],6,3,7.5 154335,6953,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-FIIQKEKKSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15?,16+,17-,18+,19-,20+,21?,22+,23+,24?/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)C34C1C(C[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C24H39NO5,pos_1_1proton,421.282823348,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum vilmorinianum,976183.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum vilmorinianum'],6,3,7.5 154336,6953,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-FIIQKEKKSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15?,16+,17-,18+,19-,20+,21?,22+,23+,24?/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)C34C1C(C[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C24H39NO5,pos_1_1proton,421.282823348,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum carmichaelii,549536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum carmichaelii'],6,3,7.5 154337,6953,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-OGVVJMRYSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15+,16+,17-,18+,19-,20+,21-,22+,23+,24-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C24H39NO5,pos_1_1proton,421.2828233479999,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum transsectum,909685.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum transsectum'],6,3,7.5 154338,6953,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-OGVVJMRYSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15+,16+,17-,18+,19-,20+,21-,22+,23+,24-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C24H39NO5,pos_1_1proton,421.2828233479999,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum cochleare,7591220.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum cochleare'],6,3,7.5 154339,6953,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-OGVVJMRYSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15+,16+,17-,18+,19-,20+,21-,22+,23+,24-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C24H39NO5,pos_1_1proton,421.2828233479999,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium linearilobum,7591246.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium linearilobum'],6,3,7.5 154340,6953,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-OGVVJMRYSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15+,16+,17-,18+,19-,20+,21-,22+,23+,24-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C24H39NO5,pos_1_1proton,421.2828233479999,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium crispulum,309502.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium crispulum'],6,3,7.5 154341,6953,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-OGVVJMRYSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15+,16+,17-,18+,19-,20+,21-,22+,23+,24-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C24H39NO5,pos_1_1proton,421.2828233479999,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum columbianum,506026.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum columbianum'],6,3,7.5 154342,6953,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-FIIQKEKKSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15?,16+,17-,18+,19-,20+,21?,22+,23+,24?/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)C34C1C(C[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C24H39NO5,pos_1_1proton,421.282823348,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Gymnaconitum gymnandrum,511673.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Gymnaconitum'],['Gymnaconitum gymnandrum'],6,3,7.5 154343,6953,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-FIIQKEKKSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15?,16+,17-,18+,19-,20+,21?,22+,23+,24?/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)C34C1C(C[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C24H39NO5,pos_1_1proton,421.282823348,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum japonicum,5511352.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum japonicum'],6,3,7.5 154344,6953,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-OGVVJMRYSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15+,16+,17-,18+,19-,20+,21-,22+,23+,24-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C24H39NO5,pos_1_1proton,421.2828233479999,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum variegatum,586783.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum variegatum'],6,3,7.5 154345,6953,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-OGVVJMRYSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15+,16+,17-,18+,19-,20+,21-,22+,23+,24-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C24H39NO5,pos_1_1proton,421.2828233479999,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum sanyoense,675791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum sanyoense'],6,3,7.5 154346,6953,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-FIIQKEKKSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15?,16+,17-,18+,19-,20+,21?,22+,23+,24?/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)C34C1C(C[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C24H39NO5,pos_1_1proton,421.282823348,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum hemsleyanum,511674.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum hemsleyanum'],6,3,7.5 154347,6953,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-FIIQKEKKSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15?,16+,17-,18+,19-,20+,21?,22+,23+,24?/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)C34C1C(C[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C24H39NO5,pos_1_1proton,421.282823348,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium gueneri,6131660.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium gueneri'],6,3,7.5 154348,6953,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-FIIQKEKKSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15?,16+,17-,18+,19-,20+,21?,22+,23+,24?/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)C34C1C(C[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C24H39NO5,pos_1_1proton,421.282823348,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum dolichorhynchum,6131378.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum dolichorhynchum'],6,3,7.5 154349,6953,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-OGVVJMRYSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15+,16+,17-,18+,19-,20+,21-,22+,23+,24-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C24H39NO5,pos_1_1proton,421.2828233479999,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum soongoricum,6131511.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum soongoricum'],6,3,7.5 154350,6953,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-FIIQKEKKSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15?,16+,17-,18+,19-,20+,21?,22+,23+,24?/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)C34C1C(C[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C24H39NO5,pos_1_1proton,421.282823348,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum sczukinii,7049059.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum sczukinii'],6,3,7.5 154351,6953,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-FIIQKEKKSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15?,16+,17-,18+,19-,20+,21?,22+,23+,24?/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)C34C1C(C[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C24H39NO5,pos_1_1proton,421.282823348,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum episcopale,50065.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum episcopale'],6,3,7.5 154352,6953,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-FIIQKEKKSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15?,16+,17-,18+,19-,20+,21?,22+,23+,24?/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)C34C1C(C[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C24H39NO5,pos_1_1proton,421.282823348,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum racemulosum,892121.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum racemulosum'],6,3,7.5 154353,6953,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-OGVVJMRYSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15+,16+,17-,18+,19-,20+,21-,22+,23+,24-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C24H39NO5,pos_1_1proton,421.2828233479999,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum nagarum,488235.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum nagarum'],6,3,7.5 154354,6953,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-UHFFFAOYSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3",CCN1CC2(COC)CCC(OC)C34C5CC6C(OC)CC(O)(C(CC23)C14)C5C6O,C24H39NO5,pos_1_1proton,421.2828233479999,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum piepunense,384357.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum piepunense'],6,3,7.5 154355,6953,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-UHFFFAOYSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3",CCN1CC2(COC)CCC(OC)C34C5CC6C(OC)CC(O)(C(CC23)C14)C5C6O,C24H39NO5,pos_1_1proton,421.2828233479999,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum seravschanicum,395973.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum seravschanicum'],6,3,7.5 154356,6953,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-UHFFFAOYSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3",CCN1CC2(COC)CCC(OC)C34C5CC6C(OC)CC(O)(C(CC23)C14)C5C6O,C24H39NO5,pos_1_1proton,421.2828233479999,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum pseudostapfianum,1073593.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum tuguancunense'],6,3,7.5 154357,6953,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-OGVVJMRYSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15+,16+,17-,18+,19-,20+,21-,22+,23+,24-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C24H39NO5,pos_1_1proton,421.2828233479999,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum macrorhynchum,7591226.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum macrorhynchum'],6,3,7.5 154358,6953,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-UHFFFAOYSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3",CCN1CC2(COC)CCC(OC)C34C5CC6C(OC)CC(O)(C(CC23)C14)C5C6O,C24H39NO5,pos_1_1proton,421.2828233479999,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum carmichaeli,549536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum carmichaelii'],6,3,7.5 154359,6953,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-UHFFFAOYSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3",CCN1CC2(COC)CCC(OC)C34C5CC6C(OC)CC(O)(C(CC23)C14)C5C6O,C24H39NO5,pos_1_1proton,421.2828233479999,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum triphyllum,6131530.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum triphyllum'],6,3,7.5 154360,6953,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-NPNNQAKASA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15?,16+,17-,18+,19-,20+,21?,22+,23+,24-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@]34C1C(C[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C24H39NO5,pos_1_1proton,421.2828233479999,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum tanguticum,1088652.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum tanguticum'],6,3,7.5 154361,6953,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-QKNOXMJZSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13?,14?,15?,16-,17?,18?,19?,20?,21?,22-,23-,24?/m0/s1",CCN1C[C@]2(COC)CCC(OC)C34C5CC6C(O)C5[C@](O)(C[C@@H]6OC)C(CC32)C14,C24H39NO5,pos_1_1proton,421.282823348,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum kongboense,723190.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum kongboense'],6,3,7.5 154363,6953,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-UHFFFAOYSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3",CCN1CC2(COC)CCC(OC)C34C5CC6C(OC)CC(O)(C(CC23)C14)C5C6O,C24H39NO5,pos_1_1proton,421.2828233479999,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum talassicum,5737809.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum talassicum'],6,3,7.5 154364,6953,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-UHFFFAOYSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3",CCN1CC2(COC)CCC(OC)C34C5CC6C(OC)CC(O)(C(CC23)C14)C5C6O,C24H39NO5,pos_1_1proton,421.2828233479999,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum hemsleyanum var. circinatum,97183.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum hemsleyanum'],6,3,7.5 154365,6953,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-UHFFFAOYSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3",CCN1CC2(COC)CCC(OC)C34C5CC6C(OC)CC(O)(C(CC23)C14)C5C6O,C24H39NO5,pos_1_1proton,421.2828233479999,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum kusnezoffii,141633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum kusnezoffii'],6,3,7.5 154366,6953,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-FIIQKEKKSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15?,16+,17-,18+,19-,20+,21?,22+,23+,24?/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)C34C1C(C[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C24H39NO5,pos_1_1proton,421.282823348,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum nemorum,44343.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum nemorum'],6,3,7.5 154283,6952,215,Terpenoids,Steroids,Cardenolides,0.0,MS1_match,ZVIQIPQKRVKNLN-GZMMTYOYSA-N,"InChI=1S/C12H16O7/c13-5-8(14)6-19-12(18)11(17)4-7-1-2-9(15)10(16)3-7/h1-3,8,11,13-17H,4-6H2/t8-,11+/m0/s1",O=C(OC[C@@H](O)CO)[C@H](O)Cc1ccc(O)c(O)c1,C12H16O7,pos_1_1potassium,272.089602852,ZVIQIPQKRVKNLN,Shikimates and Phenylpropanoids,,,Ranunculus cantoniensis,118756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus cantoniensis'],6,0,6.0 154284,6952,215,Terpenoids,Steroids,Cardenolides,0.0,MS1_match,ZVIQIPQKRVKNLN-GZMMTYOYSA-N,"InChI=1S/C12H16O7/c13-5-8(14)6-19-12(18)11(17)4-7-1-2-9(15)10(16)3-7/h1-3,8,11,13-17H,4-6H2/t8-,11+/m0/s1",O=C(OC[C@@H](O)CO)[C@H](O)Cc1ccc(O)c(O)c1,C12H16O7,pos_1_1potassium,272.089602852,ZVIQIPQKRVKNLN,Shikimates and Phenylpropanoids,,,Ranunculus chinensis,162150.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus chinensis'],6,0,6.0 154282,6951,-1,,,,0.0,MS1_match,ATFJUGCMEQBNLH-UHFFFAOYSA-N,"InChI=1S/C10H14O5/c1-10-6(12)2-4-5(3-11)9(15-10)14-8(13)7(4)10/h4-7,9,11-12H,2-3H2,1H3",CC12OC3OC(=O)C1C(CC2O)C3CO,C10H14O5,pos_2MNa,214.084123548,ATFJUGCMEQBNLH,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,0,6.0 154228,6950,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton1ammonium,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Clematis stans,21283.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis stans'],8,0,8.0 154229,6950,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton1ammonium,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Clematis stans,21283.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis stans'],8,0,8.0 154230,6950,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton1ammonium,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Clematis stans,21283.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis stans'],8,0,8.0 154148,6949,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.7319181,ISDB,RRUFTPKJXNXMAE-UHFFFAOYSA-N,"InChI=1S/C14H16O2/c1-5-10-8-11-6-7-14(2,3)16-13(11)9-12(10)15-4/h5-9H,1H2,2-4H3",C=Cc1cc2c(cc1OC)OC(C)(C)C=C2,C14H16O2,,216.115029752,RRUFTPKJXNXMAE,Terpenoids,Meroterpenoids,Merohemiterpenoids,Ageratum conyzoides,885278.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Ageratum'],['Ageratum conyzoides'],4,1,7.427672386169434 154149,6949,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.7319181,ISDB,RRUFTPKJXNXMAE-UHFFFAOYSA-N,"InChI=1S/C14H16O2/c1-5-10-8-11-6-7-14(2,3)16-13(11)9-12(10)15-4/h5-9H,1H2,2-4H3",C=Cc1cc2c(cc1OC)OC(C)(C)C=C2,C14H16O2,,216.115029752,RRUFTPKJXNXMAE,Terpenoids,Meroterpenoids,Merohemiterpenoids,Encelia farinosa,380847.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Encelia'],['Encelia farinosa'],4,1,7.427672386169434 154030,6948,-1,,,,0.0,MS1_match,QJPCKAJTLHDNCS-KQDSFGJDSA-N,"InChI=1S/C23H34O5/c1-20-7-3-15(24)12-22(20,26)9-5-18-17(20)4-8-21(2)16(6-10-23(18,21)27)14-11-19(25)28-13-14/h11,15-18,24,26-27H,3-10,12-13H2,1-2H3/t15-,16-,17+,18-,20-,21-,22+,23+/m1/s1",C[C@]12CC[C@@H](O)C[C@@]1(O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O,C23H34O5,pos_1_1proton1ammonium,390.240624188,QJPCKAJTLHDNCS,Terpenoids,Steroids,Cardenolides,Adonis aestivalis,585229.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Adonideae'],['Adonis'],['Adonis aestivalis'],6,0,6.0 154031,6948,-1,,,,0.0,MS1_match,WCEASIFXIDFWHE-JPAZAREGSA-N,"InChI=1S/C23H37NO5/c1-4-24-10-21(11-25)6-5-17(29-3)23-13-7-12-15(28-2)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/t12-,13-,14+,15+,16-,17+,18-,19+,20?,21+,22+,23-/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@]34C1[C@H](C[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C23H37NO5,pos_1_1proton,407.267173284,WCEASIFXIDFWHE,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum orientale,586781.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum orientale'],6,0,6.0 154032,6948,-1,,,,0.0,MS1_match,RBSZCNOWHDHRFZ-CFIIAAHPSA-N,"InChI=1S/C23H37NO5/c1-4-24-10-21(11-28-2)6-5-17(25)23-13-7-12-15(29-3)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/t12-,13?,14?,15+,16?,17+,18?,19?,20?,21-,22+,23-/m1/s1",CCN1C[C@@]2(COC)CC[C@H](O)[C@@]34C5C[C@H]6C(O)C5[C@](O)(C[C@@H]6OC)C(CC23)C14,C23H37NO5,pos_1_1proton,407.267173284,RBSZCNOWHDHRFZ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum carmichaeli,549536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum carmichaelii'],6,0,6.0 154033,6948,-1,,,,0.0,MS1_match,RBSZCNOWHDHRFZ-KCHRERBJSA-N,"InChI=1S/C23H37NO5/c1-4-24-10-21(11-28-2)6-5-17(25)23-13-7-12-15(29-3)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/t12-,13-,14+,15+,16-,17-,18-,19+,20-,21+,22+,23-/m0/s1",CCN1C[C@@]2(COC)CC[C@H](O)[C@@]34[C@@H]1[C@@H](C[C@@H]23)[C@]1(O)C[C@@H](OC)[C@@H]2C[C@H]4[C@H]1[C@@H]2O,C23H37NO5,pos_1_1proton,407.267173284,RBSZCNOWHDHRFZ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum talassicum,5737809.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum talassicum'],6,0,6.0 154034,6948,-1,,,,0.0,MS1_match,RBSZCNOWHDHRFZ-ZBEOZCTOSA-N,"InChI=1S/C23H37NO5/c1-4-24-10-21(11-28-2)6-5-17(25)23-13-7-12-15(29-3)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/t12-,13?,14+,15+,16?,17+,18?,19?,20?,21+,22+,23-/m1/s1",CCN1C[C@]2(COC)CC[C@H](O)[C@@]34C5C[C@H]6C(O)C5[C@](O)(C[C@@H]6OC)[C@@H](CC23)C14,C23H37NO5,pos_1_1proton,407.267173284,RBSZCNOWHDHRFZ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum racemulosum,892121.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum racemulosum'],6,0,6.0 154035,6948,-1,,,,0.0,MS1_match,RBSZCNOWHDHRFZ-BTBAWXFBSA-N,"InChI=1S/C23H37NO5/c1-4-24-10-21(11-28-2)6-5-17(25)23-13-7-12-15(29-3)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/t12-,13-,14+,15+,16-,17+,18-,19-,20-,21+,22+,23-/m0/s1",CCN1C[C@@]2(COC)CC[C@@H](O)[C@@]34[C@@H]1[C@@H](C[C@@H]23)[C@]1(O)C[C@@H](OC)[C@@H]2C[C@H]4[C@H]1[C@H]2O,C23H37NO5,pos_1_1proton,407.267173284,RBSZCNOWHDHRFZ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum delphiniifolium,506023.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum delphiniifolium'],6,0,6.0 154036,6948,-1,,,,0.0,MS1_match,RBSZCNOWHDHRFZ-VHNKBEDGSA-N,"InChI=1S/C23H37NO5/c1-4-24-10-21(11-28-2)6-5-17(25)23-13-7-12-15(29-3)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/t12-,13-,14+,15+,16-,17+,18-,19+,20-,21+,22+,23-/m1/s1",CCN1C[C@]2(COC)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C23H37NO5,pos_1_1proton,407.2671732839999,RBSZCNOWHDHRFZ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium roylei,6131791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium roylei'],6,0,6.0 154037,6948,-1,,,,0.0,MS1_match,RBSZCNOWHDHRFZ-GTRXRPRKSA-N,"InChI=1S/C23H37NO5/c1-4-24-10-21(11-28-2)6-5-17(25)23-13-7-12-15(29-3)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/t12-,13-,14-,15+,16+,17-,18-,19-,20+,21-,22+,23+/m0/s1",CCN1C[C@]2(COC)CC[C@H](O)[C@@]34[C@@H]2C[C@@H]([C@@H]13)[C@]1(O)C[C@@H](OC)[C@@H]2C[C@H]4[C@H]1[C@H]2O,C23H37NO5,pos_1_1proton,407.267173284,RBSZCNOWHDHRFZ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum piepunense,384357.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum piepunense'],6,0,6.0 154038,6948,-1,,,,0.0,MS1_match,RBSZCNOWHDHRFZ-VHNKBEDGSA-N,"InChI=1S/C23H37NO5/c1-4-24-10-21(11-28-2)6-5-17(25)23-13-7-12-15(29-3)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/t12-,13-,14+,15+,16-,17+,18-,19+,20-,21+,22+,23-/m1/s1",CCN1C[C@]2(COC)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C23H37NO5,pos_1_1proton,407.2671732839999,RBSZCNOWHDHRFZ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum ferox,1014250.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum ferox'],6,0,6.0 154039,6948,-1,,,,0.0,MS1_match,RBSZCNOWHDHRFZ-KCHRERBJSA-N,"InChI=1S/C23H37NO5/c1-4-24-10-21(11-28-2)6-5-17(25)23-13-7-12-15(29-3)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/t12-,13-,14+,15+,16-,17-,18-,19+,20-,21+,22+,23-/m0/s1",CCN1C[C@@]2(COC)CC[C@H](O)[C@@]34[C@@H]1[C@@H](C[C@@H]23)[C@]1(O)C[C@@H](OC)[C@@H]2C[C@H]4[C@H]1[C@@H]2O,C23H37NO5,pos_1_1proton,407.267173284,RBSZCNOWHDHRFZ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum kusnezoffii,141633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum kusnezoffii'],6,0,6.0 154040,6948,-1,,,,0.0,MS1_match,RBSZCNOWHDHRFZ-ZBEOZCTOSA-N,"InChI=1S/C23H37NO5/c1-4-24-10-21(11-28-2)6-5-17(25)23-13-7-12-15(29-3)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/t12-,13?,14+,15+,16?,17+,18?,19?,20?,21+,22+,23-/m1/s1",CCN1C[C@]2(COC)CC[C@H](O)[C@@]34C5C[C@H]6C(O)C5[C@](O)(C[C@@H]6OC)[C@@H](CC23)C14,C23H37NO5,pos_1_1proton,407.267173284,RBSZCNOWHDHRFZ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium pyramidale,782525.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium pyramidale'],6,0,6.0 154041,6948,-1,,,,0.0,MS1_match,RBSZCNOWHDHRFZ-NZOCHXEQSA-N,"InChI=1S/C23H37NO5/c1-4-24-10-21(11-28-2)6-5-17(25)23-13-7-12-15(29-3)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/t12-,13-,14+,15-,16-,17+,18-,19-,20-,21+,22+,23-/m0/s1",CCN1C[C@@]2(COC)CC[C@@H](O)[C@@]34[C@@H]1[C@@H](C[C@@H]23)[C@]1(O)C[C@H](OC)[C@@H]2C[C@H]4[C@H]1[C@H]2O,C23H37NO5,pos_1_1proton,407.267173284,RBSZCNOWHDHRFZ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium,518366.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Unknown'],6,0,6.0 154042,6948,-1,,,,0.0,MS1_match,RBSZCNOWHDHRFZ-UHFFFAOYSA-N,"InChI=1S/C23H37NO5/c1-4-24-10-21(11-28-2)6-5-17(25)23-13-7-12-15(29-3)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3",CCN1CC2(COC)CCC(O)C34C5CC6C(OC)CC(O)(C(CC23)C14)C5C6O,C23H37NO5,pos_1_1proton,407.2671732839999,RBSZCNOWHDHRFZ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium crispulum,309502.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium crispulum'],6,0,6.0 154043,6948,-1,,,,0.0,MS1_match,RBSZCNOWHDHRFZ-NZOCHXEQSA-N,"InChI=1S/C23H37NO5/c1-4-24-10-21(11-28-2)6-5-17(25)23-13-7-12-15(29-3)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/t12-,13-,14+,15-,16-,17+,18-,19-,20-,21+,22+,23-/m0/s1",CCN1C[C@@]2(COC)CC[C@@H](O)[C@@]34[C@@H]1[C@@H](C[C@@H]23)[C@]1(O)C[C@H](OC)[C@@H]2C[C@H]4[C@H]1[C@H]2O,C23H37NO5,pos_1_1proton,407.267173284,RBSZCNOWHDHRFZ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium denudatum,309508.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium denudatum'],6,0,6.0 154044,6948,-1,,,,0.0,MS1_match,RBSZCNOWHDHRFZ-VHNKBEDGSA-N,"InChI=1S/C23H37NO5/c1-4-24-10-21(11-28-2)6-5-17(25)23-13-7-12-15(29-3)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/t12-,13-,14+,15+,16-,17+,18-,19+,20-,21+,22+,23-/m1/s1",CCN1C[C@]2(COC)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C23H37NO5,pos_1_1proton,407.2671732839999,RBSZCNOWHDHRFZ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum nagarum,488235.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum nagarum'],6,0,6.0 154045,6948,-1,,,,0.0,MS1_match,RBSZCNOWHDHRFZ-PMLXDASCSA-N,"InChI=1S/C23H37NO5/c1-4-24-10-21(11-28-2)6-5-17(25)23-13-7-12-15(29-3)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/t12-,13+,14+,15-,16+,17-,18+,19-,20?,21-,22-,23+/m0/s1",CCN1C[C@]2(COC)CC[C@H](O)[C@]34C1[C@@H](C[C@H]23)[C@@]1(O)C[C@H](OC)[C@@H]2C[C@@H]4[C@@H]1[C@H]2O,C23H37NO5,pos_1_1proton,407.267173284,RBSZCNOWHDHRFZ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum,756111.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Unknown'],6,0,6.0 154046,6948,-1,,,,0.0,MS1_match,RBSZCNOWHDHRFZ-PMLXDASCSA-N,"InChI=1S/C23H37NO5/c1-4-24-10-21(11-28-2)6-5-17(25)23-13-7-12-15(29-3)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/t12-,13+,14+,15-,16+,17-,18+,19-,20?,21-,22-,23+/m0/s1",CCN1C[C@]2(COC)CC[C@H](O)[C@]34C1[C@@H](C[C@H]23)[C@@]1(O)C[C@H](OC)[C@@H]2C[C@@H]4[C@@H]1[C@H]2O,C23H37NO5,pos_1_1proton,407.267173284,RBSZCNOWHDHRFZ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum fukutomei,921880.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum bartlettii'],6,0,6.0 154047,6948,-1,,,,0.0,MS1_match,RBSZCNOWHDHRFZ-PMLXDASCSA-N,"InChI=1S/C23H37NO5/c1-4-24-10-21(11-28-2)6-5-17(25)23-13-7-12-15(29-3)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/t12-,13+,14+,15-,16+,17-,18+,19-,20?,21-,22-,23+/m0/s1",CCN1C[C@]2(COC)CC[C@H](O)[C@]34C1[C@@H](C[C@H]23)[C@@]1(O)C[C@H](OC)[C@@H]2C[C@@H]4[C@@H]1[C@H]2O,C23H37NO5,pos_1_1proton,407.267173284,RBSZCNOWHDHRFZ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum burnatii,3944952.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum burnatii'],6,0,6.0 154048,6948,-1,,,,0.0,MS1_match,RBSZCNOWHDHRFZ-PMLXDASCSA-N,"InChI=1S/C23H37NO5/c1-4-24-10-21(11-28-2)6-5-17(25)23-13-7-12-15(29-3)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/t12-,13+,14+,15-,16+,17-,18+,19-,20?,21-,22-,23+/m0/s1",CCN1C[C@]2(COC)CC[C@H](O)[C@]34C1[C@@H](C[C@H]23)[C@@]1(O)C[C@H](OC)[C@@H]2C[C@@H]4[C@@H]1[C@H]2O,C23H37NO5,pos_1_1proton,407.267173284,RBSZCNOWHDHRFZ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum nevadense,3944952.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum burnatii'],6,0,6.0 154049,6948,-1,,,,0.0,MS1_match,RBSZCNOWHDHRFZ-PMLXDASCSA-N,"InChI=1S/C23H37NO5/c1-4-24-10-21(11-28-2)6-5-17(25)23-13-7-12-15(29-3)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/t12-,13+,14+,15-,16+,17-,18+,19-,20?,21-,22-,23+/m0/s1",CCN1C[C@]2(COC)CC[C@H](O)[C@]34C1[C@@H](C[C@H]23)[C@@]1(O)C[C@H](OC)[C@@H]2C[C@@H]4[C@@H]1[C@H]2O,C23H37NO5,pos_1_1proton,407.267173284,RBSZCNOWHDHRFZ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum chasmanthum,5737840.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum chasmanthum'],6,0,6.0 154050,6948,-1,,,,0.0,MS1_match,RBSZCNOWHDHRFZ-UHFFFAOYSA-N,"InChI=1S/C23H37NO5/c1-4-24-10-21(11-28-2)6-5-17(25)23-13-7-12-15(29-3)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3",CCN1CC2(COC)CCC(O)C34C5CC6C(OC)CC(O)(C(CC23)C14)C5C6O,C23H37NO5,pos_1_1proton,407.2671732839999,RBSZCNOWHDHRFZ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum anthora,14057.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum anthora'],6,0,6.0 154051,6948,-1,,,,0.0,MS1_match,RBSZCNOWHDHRFZ-VHNKBEDGSA-N,"InChI=1S/C23H37NO5/c1-4-24-10-21(11-28-2)6-5-17(25)23-13-7-12-15(29-3)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/t12-,13-,14+,15+,16-,17+,18-,19+,20-,21+,22+,23-/m1/s1",CCN1C[C@]2(COC)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C23H37NO5,pos_1_1proton,407.2671732839999,RBSZCNOWHDHRFZ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum balfourii,698586.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum balfourii'],6,0,6.0 154052,6948,-1,,,,0.0,MS1_match,RBSZCNOWHDHRFZ-KCHRERBJSA-N,"InChI=1S/C23H37NO5/c1-4-24-10-21(11-28-2)6-5-17(25)23-13-7-12-15(29-3)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/t12-,13-,14+,15+,16-,17-,18-,19+,20-,21+,22+,23-/m0/s1",CCN1C[C@@]2(COC)CC[C@H](O)[C@@]34[C@@H]1[C@@H](C[C@@H]23)[C@]1(O)C[C@@H](OC)[C@@H]2C[C@H]4[C@H]1[C@@H]2O,C23H37NO5,pos_1_1proton,407.267173284,RBSZCNOWHDHRFZ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum vilmorinianum,976183.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum vilmorinianum'],6,0,6.0 154053,6948,-1,,,,0.0,MS1_match,RBSZCNOWHDHRFZ-PMLXDASCSA-N,"InChI=1S/C23H37NO5/c1-4-24-10-21(11-28-2)6-5-17(25)23-13-7-12-15(29-3)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/t12-,13+,14+,15-,16+,17-,18+,19-,20?,21-,22-,23+/m0/s1",CCN1C[C@]2(COC)CC[C@H](O)[C@]34C1[C@@H](C[C@H]23)[C@@]1(O)C[C@H](OC)[C@@H]2C[C@@H]4[C@@H]1[C@H]2O,C23H37NO5,pos_1_1proton,407.267173284,RBSZCNOWHDHRFZ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum carmichaelii,549536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum carmichaelii'],6,0,6.0 154054,6948,-1,,,,0.0,MS1_match,RBSZCNOWHDHRFZ-KCHRERBJSA-N,"InChI=1S/C23H37NO5/c1-4-24-10-21(11-28-2)6-5-17(25)23-13-7-12-15(29-3)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/t12-,13-,14+,15+,16-,17-,18-,19+,20-,21+,22+,23-/m0/s1",CCN1C[C@@]2(COC)CC[C@H](O)[C@@]34[C@@H]1[C@@H](C[C@@H]23)[C@]1(O)C[C@@H](OC)[C@@H]2C[C@H]4[C@H]1[C@@H]2O,C23H37NO5,pos_1_1proton,407.267173284,RBSZCNOWHDHRFZ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum columbianum,506026.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum columbianum'],6,0,6.0 154055,6948,-1,,,,0.0,MS1_match,RBSZCNOWHDHRFZ-KCHRERBJSA-N,"InChI=1S/C23H37NO5/c1-4-24-10-21(11-28-2)6-5-17(25)23-13-7-12-15(29-3)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/t12-,13-,14+,15+,16-,17-,18-,19+,20-,21+,22+,23-/m0/s1",CCN1C[C@@]2(COC)CC[C@H](O)[C@@]34[C@@H]1[C@@H](C[C@@H]23)[C@]1(O)C[C@@H](OC)[C@@H]2C[C@H]4[C@H]1[C@@H]2O,C23H37NO5,pos_1_1proton,407.267173284,RBSZCNOWHDHRFZ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Gymnaconitum gymnandrum,511673.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Gymnaconitum'],['Gymnaconitum gymnandrum'],6,0,6.0 154056,6948,-1,,,,0.0,MS1_match,WCEASIFXIDFWHE-VHNKBEDGSA-N,"InChI=1S/C23H37NO5/c1-4-24-10-21(11-25)6-5-17(29-3)23-13-7-12-15(28-2)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/t12-,13-,14+,15+,16-,17+,18-,19+,20-,21+,22+,23-/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C23H37NO5,pos_1_1proton,407.2671732839999,WCEASIFXIDFWHE,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum talassicum,5737809.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum talassicum'],6,0,6.0 154057,6948,-1,,,,0.0,MS1_match,WCEASIFXIDFWHE-VHNKBEDGSA-N,"InChI=1S/C23H37NO5/c1-4-24-10-21(11-25)6-5-17(29-3)23-13-7-12-15(28-2)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/t12-,13-,14+,15+,16-,17+,18-,19+,20-,21+,22+,23-/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C23H37NO5,pos_1_1proton,407.2671732839999,WCEASIFXIDFWHE,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum columbianum,506026.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum columbianum'],6,0,6.0 154058,6948,-1,,,,0.0,MS1_match,WCEASIFXIDFWHE-VHNKBEDGSA-N,"InChI=1S/C23H37NO5/c1-4-24-10-21(11-25)6-5-17(29-3)23-13-7-12-15(28-2)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/t12-,13-,14+,15+,16-,17+,18-,19+,20-,21+,22+,23-/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C23H37NO5,pos_1_1proton,407.2671732839999,WCEASIFXIDFWHE,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium crispulum,309502.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium crispulum'],6,0,6.0 154059,6948,-1,,,,0.0,MS1_match,WCEASIFXIDFWHE-VHNKBEDGSA-N,"InChI=1S/C23H37NO5/c1-4-24-10-21(11-25)6-5-17(29-3)23-13-7-12-15(28-2)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/t12-,13-,14+,15+,16-,17+,18-,19+,20-,21+,22+,23-/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C23H37NO5,pos_1_1proton,407.2671732839999,WCEASIFXIDFWHE,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium linearilobum,7591246.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium linearilobum'],6,0,6.0 154060,6948,-1,,,,0.0,MS1_match,OUHXFIWCHDIJBE-GLJVVQBPSA-N,"InChI=1S/C23H37NO5/c1-5-24-10-21(2)15-7-13-20(24)23(15,17(26)8-16(21)25)12-6-11-14(28-3)9-22(13,29-4)18(12)19(11)27/h11-20,25-27H,5-10H2,1-4H3/t11-,12-,13+,14+,15-,16-,17+,18-,19+,20-,21+,22+,23-/m1/s1",CCN1C[C@]2(C)[C@H](O)C[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](OC)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C23H37NO5,pos_1_1proton,407.267173284,OUHXFIWCHDIJBE,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium crispulum,309502.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium crispulum'],6,0,6.0 154061,6948,-1,,,,0.0,MS1_match,GBBKFXYNDQUOGN-KOWPDBJSSA-N,"InChI=1S/C23H37NO5/c1-5-24-11-20(2)7-6-16(29-4)23-15(20)8-13(19(23)24)21(26)10-14(28-3)12-9-22(23,27)18(21)17(12)25/h12-19,25-27H,5-11H2,1-4H3/t12-,13+,14+,15-,16+,17+,18-,19-,20+,21+,22+,23+/m1/s1",CCN1C[C@]2(C)CC[C@H](OC)[C@@]34[C@@H]2C[C@@H]([C@@H]13)[C@@]1(O)C[C@H](OC)[C@H]2C[C@]4(O)[C@@H]1[C@H]2O,C23H37NO5,pos_1_1proton,407.267173284,GBBKFXYNDQUOGN,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum geniculatum,97187.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum geniculatum'],6,0,6.0 154062,6948,-1,,,,0.0,MS1_match,MRAUUHCURXZDPX-KJJIZPFLSA-N,"InChI=1S/C23H37NO5/c1-5-24-11-20(2)7-6-16(25)23-13-8-12-14(28-3)9-22(29-4,17(13)18(12)26)21(27,19(23)24)10-15(20)23/h12-19,25-27H,5-11H2,1-4H3/t12-,13-,14+,15-,16+,17-,18+,19-,20+,21-,22-,23-/m1/s1",CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](OC)(C[C@@H]6OC)[C@@](O)(C[C@H]23)[C@@H]14,C23H37NO5,pos_1_1proton,407.267173284,MRAUUHCURXZDPX,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium elatum,518362.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium elatum'],6,0,6.0 154063,6948,-1,,,,0.0,MS1_match,MRAUUHCURXZDPX-KJJIZPFLSA-N,"InChI=1S/C23H37NO5/c1-5-24-11-20(2)7-6-16(25)23-13-8-12-14(28-3)9-22(29-4,17(13)18(12)26)21(27,19(23)24)10-15(20)23/h12-19,25-27H,5-11H2,1-4H3/t12-,13-,14+,15-,16+,17-,18+,19-,20+,21-,22-,23-/m1/s1",CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](OC)(C[C@@H]6OC)[C@@](O)(C[C@H]23)[C@@H]14,C23H37NO5,pos_1_1proton,407.267173284,MRAUUHCURXZDPX,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium brunonianum,259375.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium minjanense'],6,0,6.0 154064,6948,-1,,,,0.0,MS1_match,YNOQXHSVHMKQJS-UHFFFAOYSA-N,"InChI=1S/C23H37NO5/c1-5-24-10-21(2)7-6-14(25)23-12-8-11-13(28-3)9-22(29-4,15(12)17(11)26)16(20(23)24)18(27)19(21)23/h11-20,25-27H,5-10H2,1-4H3",CCN1CC2(C)CCC(O)C34C5CC6C(OC)CC(OC)(C5C6O)C(C(O)C23)C14,C23H37NO5,pos_1_1proton,407.267173284,YNOQXHSVHMKQJS,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium peregrinum,885398.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium peregrinum'],6,0,6.0 154065,6948,-1,,,,0.0,MS1_match,YNOQXHSVHMKQJS-CEMIRNGBSA-N,"InChI=1S/C23H37NO5/c1-5-24-10-21(2)7-6-14(25)23-12-8-11-13(28-3)9-22(29-4,15(12)17(11)26)16(20(23)24)18(27)19(21)23/h11-20,25-27H,5-10H2,1-4H3/t11-,12-,13+,14+,15-,16-,17-,18-,19+,20+,21-,22-,23-/m0/s1",CCN1C[C@]2(C)CC[C@@H](O)[C@@]34[C@@H]2[C@@H](O)[C@@H]([C@@H]13)[C@]1(OC)C[C@@H](OC)[C@@H]2C[C@H]4[C@H]1[C@H]2O,C23H37NO5,pos_1_1proton,407.267173284,YNOQXHSVHMKQJS,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium favargeri,209870.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium favargeri'],6,0,6.0 154066,6948,-1,,,,0.0,MS1_match,HOCJNIVJUMYCKR-VHNKBEDGSA-N,"InChI=1S/C23H37NO5/c1-4-24-10-21(11-25)6-5-17(26)23-13-7-12-15(28-2)9-22(29-3,18(13)19(12)27)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/t12-,13-,14+,15+,16-,17+,18-,19+,20-,21+,22+,23-/m1/s1",CCN1C[C@]2(CO)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](OC)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C23H37NO5,pos_1_1proton,407.267173284,HOCJNIVJUMYCKR,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Consolida raveyi,733336.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida raveyi'],6,0,6.0 154067,6948,-1,,,,0.0,MS1_match,HOCJNIVJUMYCKR-VHNKBEDGSA-N,"InChI=1S/C23H37NO5/c1-4-24-10-21(11-25)6-5-17(26)23-13-7-12-15(28-2)9-22(29-3,18(13)19(12)27)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/t12-,13-,14+,15+,16-,17+,18-,19+,20-,21+,22+,23-/m1/s1",CCN1C[C@]2(CO)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](OC)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C23H37NO5,pos_1_1proton,407.267173284,HOCJNIVJUMYCKR,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium raveyi,733336.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida raveyi'],6,0,6.0 154068,6948,-1,,,,0.0,MS1_match,HOCJNIVJUMYCKR-YPZZVLDDSA-N,"InChI=1S/C23H37NO5/c1-4-24-10-21(11-25)6-5-17(26)23-13-7-12-15(28-2)9-22(29-3,18(13)19(12)27)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/t12-,13+,14-,15-,16+,17-,18?,19-,20+,21-,22-,23+/m0/s1",CCN1C[C@]2(CO)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@@H](OC)C[C@@](OC)(C5[C@H]6O)[C@@H](C[C@H]23)[C@@H]14,C23H37NO5,pos_1_1proton,407.267173284,HOCJNIVJUMYCKR,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium oliverianum,733345.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida oliveriana'],6,0,6.0 154069,6948,-1,,,,0.0,MS1_match,WCEASIFXIDFWHE-HDCUTMFGSA-N,"InChI=1S/C23H37NO5/c1-4-24-10-21(11-25)6-5-17(29-3)23-13-7-12-15(28-2)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/t12-,13+,14-,15-,16+,17-,18-,19-,20+,21-,22-,23+/m0/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@@H]6[C@H](O)[C@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C23H37NO5,pos_1_1proton,407.267173284,WCEASIFXIDFWHE,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum contortum,909683.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum contortum'],6,0,6.0 154070,6948,-1,,,,0.0,MS1_match,WCEASIFXIDFWHE-UHFFFAOYSA-N,"InChI=1S/C23H37NO5/c1-4-24-10-21(11-25)6-5-17(29-3)23-13-7-12-15(28-2)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3",CCN1CC2(CO)CCC(OC)C34C5CC6C(OC)CC(O)(C(CC23)C14)C5C6O,C23H37NO5,pos_1_1proton,407.267173284,WCEASIFXIDFWHE,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum variegatum,586783.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum variegatum'],6,0,6.0 154071,6948,-1,,,,0.0,MS1_match,WCEASIFXIDFWHE-JPAZAREGSA-N,"InChI=1S/C23H37NO5/c1-4-24-10-21(11-25)6-5-17(29-3)23-13-7-12-15(28-2)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/t12-,13-,14+,15+,16-,17+,18-,19+,20?,21+,22+,23-/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@]34C1[C@H](C[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C23H37NO5,pos_1_1proton,407.267173284,WCEASIFXIDFWHE,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum liljestrandii,556434.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum liljestrandii'],6,0,6.0 154072,6948,-1,,,,0.0,MS1_match,RBSZCNOWHDHRFZ-PMLXDASCSA-N,"InChI=1S/C23H37NO5/c1-4-24-10-21(11-28-2)6-5-17(25)23-13-7-12-15(29-3)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/t12-,13+,14+,15-,16+,17-,18+,19-,20?,21-,22-,23+/m0/s1",CCN1C[C@]2(COC)CC[C@H](O)[C@]34C1[C@@H](C[C@H]23)[C@@]1(O)C[C@H](OC)[C@@H]2C[C@@H]4[C@@H]1[C@H]2O,C23H37NO5,pos_1_1proton,407.267173284,RBSZCNOWHDHRFZ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium nuttallianum,643524.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium nuttallianum'],6,0,6.0 154073,6948,-1,,,,0.0,MS1_match,WCEASIFXIDFWHE-JPAZAREGSA-N,"InChI=1S/C23H37NO5/c1-4-24-10-21(11-25)6-5-17(29-3)23-13-7-12-15(28-2)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/t12-,13-,14+,15+,16-,17+,18-,19+,20?,21+,22+,23-/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@]34C1[C@H](C[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C23H37NO5,pos_1_1proton,407.267173284,WCEASIFXIDFWHE,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum dolichorhynchum,6131378.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum dolichorhynchum'],6,0,6.0 154074,6948,-1,,,,0.0,MS1_match,WCEASIFXIDFWHE-JPAZAREGSA-N,"InChI=1S/C23H37NO5/c1-4-24-10-21(11-25)6-5-17(29-3)23-13-7-12-15(28-2)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/t12-,13-,14+,15+,16-,17+,18-,19+,20?,21+,22+,23-/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@]34C1[C@H](C[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C23H37NO5,pos_1_1proton,407.267173284,WCEASIFXIDFWHE,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum karakolicum,44345.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum karakolicum'],6,0,6.0 154075,6948,-1,,,,0.0,MS1_match,WCEASIFXIDFWHE-VHNKBEDGSA-N,"InChI=1S/C23H37NO5/c1-4-24-10-21(11-25)6-5-17(29-3)23-13-7-12-15(28-2)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/t12-,13-,14+,15+,16-,17+,18-,19+,20-,21+,22+,23-/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C23H37NO5,pos_1_1proton,407.2671732839999,WCEASIFXIDFWHE,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium linearilobum,7591246.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium linearilobum'],6,0,6.0 154076,6948,-1,,,,0.0,MS1_match,WCEASIFXIDFWHE-VHNKBEDGSA-N,"InChI=1S/C23H37NO5/c1-4-24-10-21(11-25)6-5-17(29-3)23-13-7-12-15(28-2)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/t12-,13-,14+,15+,16-,17+,18-,19+,20-,21+,22+,23-/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C23H37NO5,pos_1_1proton,407.2671732839999,WCEASIFXIDFWHE,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium crispulum,309502.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium crispulum'],6,0,6.0 154077,6948,-1,,,,0.0,MS1_match,WCEASIFXIDFWHE-VHNKBEDGSA-N,"InChI=1S/C23H37NO5/c1-4-24-10-21(11-25)6-5-17(29-3)23-13-7-12-15(28-2)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/t12-,13-,14+,15+,16-,17+,18-,19+,20-,21+,22+,23-/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C23H37NO5,pos_1_1proton,407.2671732839999,WCEASIFXIDFWHE,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum columbianum,506026.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum columbianum'],6,0,6.0 154078,6948,-1,,,,0.0,MS1_match,WCEASIFXIDFWHE-VHNKBEDGSA-N,"InChI=1S/C23H37NO5/c1-4-24-10-21(11-25)6-5-17(29-3)23-13-7-12-15(28-2)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/t12-,13-,14+,15+,16-,17+,18-,19+,20-,21+,22+,23-/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C23H37NO5,pos_1_1proton,407.2671732839999,WCEASIFXIDFWHE,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum talassicum,5737809.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum talassicum'],6,0,6.0 154079,6948,-1,,,,0.0,MS1_match,WCEASIFXIDFWHE-JPAZAREGSA-N,"InChI=1S/C23H37NO5/c1-4-24-10-21(11-25)6-5-17(29-3)23-13-7-12-15(28-2)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/t12-,13-,14+,15+,16-,17+,18-,19+,20?,21+,22+,23-/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@]34C1[C@H](C[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C23H37NO5,pos_1_1proton,407.267173284,WCEASIFXIDFWHE,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum orientale,586781.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum orientale'],6,0,6.0 154080,6948,-1,,,,0.0,MS1_match,WCEASIFXIDFWHE-HDCUTMFGSA-N,"InChI=1S/C23H37NO5/c1-4-24-10-21(11-25)6-5-17(29-3)23-13-7-12-15(28-2)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/t12-,13+,14-,15-,16+,17-,18-,19-,20+,21-,22-,23+/m0/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@@H]6[C@H](O)[C@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C23H37NO5,pos_1_1proton,407.267173284,WCEASIFXIDFWHE,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum contortum,909683.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum contortum'],6,0,6.0 154081,6948,-1,,,,0.0,MS1_match,WCEASIFXIDFWHE-UHFFFAOYSA-N,"InChI=1S/C23H37NO5/c1-4-24-10-21(11-25)6-5-17(29-3)23-13-7-12-15(28-2)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3",CCN1CC2(CO)CCC(OC)C34C5CC6C(OC)CC(O)(C(CC23)C14)C5C6O,C23H37NO5,pos_1_1proton,407.267173284,WCEASIFXIDFWHE,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum variegatum,586783.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum variegatum'],6,0,6.0 154082,6948,-1,,,,0.0,MS1_match,WCEASIFXIDFWHE-JPAZAREGSA-N,"InChI=1S/C23H37NO5/c1-4-24-10-21(11-25)6-5-17(29-3)23-13-7-12-15(28-2)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/t12-,13-,14+,15+,16-,17+,18-,19+,20?,21+,22+,23-/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@]34C1[C@H](C[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C23H37NO5,pos_1_1proton,407.267173284,WCEASIFXIDFWHE,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum liljestrandii,556434.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum liljestrandii'],6,0,6.0 154083,6948,-1,,,,0.0,MS1_match,WCEASIFXIDFWHE-JPAZAREGSA-N,"InChI=1S/C23H37NO5/c1-4-24-10-21(11-25)6-5-17(29-3)23-13-7-12-15(28-2)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/t12-,13-,14+,15+,16-,17+,18-,19+,20?,21+,22+,23-/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@]34C1[C@H](C[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C23H37NO5,pos_1_1proton,407.267173284,WCEASIFXIDFWHE,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum dolichorhynchum,6131378.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum dolichorhynchum'],6,0,6.0 154084,6948,-1,,,,0.0,MS1_match,WCEASIFXIDFWHE-JPAZAREGSA-N,"InChI=1S/C23H37NO5/c1-4-24-10-21(11-25)6-5-17(29-3)23-13-7-12-15(28-2)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/t12-,13-,14+,15+,16-,17+,18-,19+,20?,21+,22+,23-/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@]34C1[C@H](C[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C23H37NO5,pos_1_1proton,407.267173284,WCEASIFXIDFWHE,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum forrestii,556432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum forrestii'],6,0,6.0 154085,6948,-1,,,,0.0,MS1_match,WCEASIFXIDFWHE-JPAZAREGSA-N,"InChI=1S/C23H37NO5/c1-4-24-10-21(11-25)6-5-17(29-3)23-13-7-12-15(28-2)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/t12-,13-,14+,15+,16-,17+,18-,19+,20?,21+,22+,23-/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@]34C1[C@H](C[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C23H37NO5,pos_1_1proton,407.267173284,WCEASIFXIDFWHE,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum karakolicum,44345.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum karakolicum'],6,0,6.0 154086,6948,-1,,,,0.0,MS1_match,WCEASIFXIDFWHE-JPAZAREGSA-N,"InChI=1S/C23H37NO5/c1-4-24-10-21(11-25)6-5-17(29-3)23-13-7-12-15(28-2)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/t12-,13-,14+,15+,16-,17+,18-,19+,20?,21+,22+,23-/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@]34C1[C@H](C[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C23H37NO5,pos_1_1proton,407.267173284,WCEASIFXIDFWHE,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum forrestii,556432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum forrestii'],6,0,6.0 154087,6948,-1,,,,0.0,MS1_match,RBSZCNOWHDHRFZ-ZBEOZCTOSA-N,"InChI=1S/C23H37NO5/c1-4-24-10-21(11-28-2)6-5-17(25)23-13-7-12-15(29-3)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/t12-,13?,14+,15+,16?,17+,18?,19?,20?,21+,22+,23-/m1/s1",CCN1C[C@]2(COC)CC[C@H](O)[C@@]34C5C[C@H]6C(O)C5[C@](O)(C[C@@H]6OC)[C@@H](CC23)C14,C23H37NO5,pos_1_1proton,407.267173284,RBSZCNOWHDHRFZ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum napellus,586780.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum napellus'],6,0,6.0 154088,6948,-1,,,,0.0,MS1_match,RBSZCNOWHDHRFZ-PMLXDASCSA-N,"InChI=1S/C23H37NO5/c1-4-24-10-21(11-28-2)6-5-17(25)23-13-7-12-15(29-3)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/t12-,13+,14+,15-,16+,17-,18+,19-,20?,21-,22-,23+/m0/s1",CCN1C[C@]2(COC)CC[C@H](O)[C@]34C1[C@@H](C[C@H]23)[C@@]1(O)C[C@H](OC)[C@@H]2C[C@@H]4[C@@H]1[C@H]2O,C23H37NO5,pos_1_1proton,407.267173284,RBSZCNOWHDHRFZ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum japonicum,5511352.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum japonicum'],6,0,6.0 154089,6948,-1,,,,0.0,MS1_match,RBSZCNOWHDHRFZ-VHNKBEDGSA-N,"InChI=1S/C23H37NO5/c1-4-24-10-21(11-28-2)6-5-17(25)23-13-7-12-15(29-3)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/t12-,13-,14+,15+,16-,17+,18-,19+,20-,21+,22+,23-/m1/s1",CCN1C[C@]2(COC)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C23H37NO5,pos_1_1proton,407.2671732839999,RBSZCNOWHDHRFZ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium bicolor,591163.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium bicolor'],6,0,6.0 154090,6948,-1,,,,0.0,MS1_match,RBSZCNOWHDHRFZ-ZBEOZCTOSA-N,"InChI=1S/C23H37NO5/c1-4-24-10-21(11-28-2)6-5-17(25)23-13-7-12-15(29-3)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/t12-,13?,14+,15+,16?,17+,18?,19?,20?,21+,22+,23-/m1/s1",CCN1C[C@]2(COC)CC[C@H](O)[C@@]34C5C[C@H]6C(O)C5[C@](O)(C[C@@H]6OC)[C@@H](CC23)C14,C23H37NO5,pos_1_1proton,407.267173284,RBSZCNOWHDHRFZ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum napellus,586780.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum napellus'],6,0,6.0 154091,6948,-1,,,,0.0,MS1_match,RBSZCNOWHDHRFZ-PMLXDASCSA-N,"InChI=1S/C23H37NO5/c1-4-24-10-21(11-28-2)6-5-17(25)23-13-7-12-15(29-3)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/t12-,13+,14+,15-,16+,17-,18+,19-,20?,21-,22-,23+/m0/s1",CCN1C[C@]2(COC)CC[C@H](O)[C@]34C1[C@@H](C[C@H]23)[C@@]1(O)C[C@H](OC)[C@@H]2C[C@@H]4[C@@H]1[C@H]2O,C23H37NO5,pos_1_1proton,407.267173284,RBSZCNOWHDHRFZ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum japonicum,5511352.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum japonicum'],6,0,6.0 154092,6948,-1,,,,0.0,MS1_match,RBSZCNOWHDHRFZ-VHNKBEDGSA-N,"InChI=1S/C23H37NO5/c1-4-24-10-21(11-28-2)6-5-17(25)23-13-7-12-15(29-3)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/t12-,13-,14+,15+,16-,17+,18-,19+,20-,21+,22+,23-/m1/s1",CCN1C[C@]2(COC)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C23H37NO5,pos_1_1proton,407.2671732839999,RBSZCNOWHDHRFZ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium bicolor,591163.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium bicolor'],6,0,6.0 154093,6948,-1,,,,0.0,MS1_match,RBSZCNOWHDHRFZ-VHNKBEDGSA-N,"InChI=1S/C23H37NO5/c1-4-24-10-21(11-28-2)6-5-17(25)23-13-7-12-15(29-3)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/t12-,13-,14+,15+,16-,17+,18-,19+,20-,21+,22+,23-/m1/s1",CCN1C[C@]2(COC)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C23H37NO5,pos_1_1proton,407.2671732839999,RBSZCNOWHDHRFZ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum sanyoense,675791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum sanyoense'],6,0,6.0 154094,6948,-1,,,,0.0,MS1_match,RBSZCNOWHDHRFZ-ZBEOZCTOSA-N,"InChI=1S/C23H37NO5/c1-4-24-10-21(11-28-2)6-5-17(25)23-13-7-12-15(29-3)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/t12-,13?,14+,15+,16?,17+,18?,19?,20?,21+,22+,23-/m1/s1",CCN1C[C@]2(COC)CC[C@H](O)[C@@]34C5C[C@H]6C(O)C5[C@](O)(C[C@@H]6OC)[C@@H](CC23)C14,C23H37NO5,pos_1_1proton,407.267173284,RBSZCNOWHDHRFZ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum falconeri,6131385.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum falconeri'],6,0,6.0 154095,6948,-1,,,,0.0,MS1_match,RBSZCNOWHDHRFZ-ZBEOZCTOSA-N,"InChI=1S/C23H37NO5/c1-4-24-10-21(11-28-2)6-5-17(25)23-13-7-12-15(29-3)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/t12-,13?,14+,15+,16?,17+,18?,19?,20?,21+,22+,23-/m1/s1",CCN1C[C@]2(COC)CC[C@H](O)[C@@]34C5C[C@H]6C(O)C5[C@](O)(C[C@@H]6OC)[C@@H](CC23)C14,C23H37NO5,pos_1_1proton,407.267173284,RBSZCNOWHDHRFZ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum lethale,6131432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum lethale'],6,0,6.0 154096,6948,-1,,,,0.0,MS1_match,RBSZCNOWHDHRFZ-PMLXDASCSA-N,"InChI=1S/C23H37NO5/c1-4-24-10-21(11-28-2)6-5-17(25)23-13-7-12-15(29-3)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/t12-,13+,14+,15-,16+,17-,18+,19-,20?,21-,22-,23+/m0/s1",CCN1C[C@]2(COC)CC[C@H](O)[C@]34C1[C@@H](C[C@H]23)[C@@]1(O)C[C@H](OC)[C@@H]2C[C@@H]4[C@@H]1[C@H]2O,C23H37NO5,pos_1_1proton,407.267173284,RBSZCNOWHDHRFZ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium confusum,6131625.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium confusum'],6,0,6.0 154097,6948,-1,,,,0.0,MS1_match,RBSZCNOWHDHRFZ-YRNFJLKESA-N,"InChI=1S/C23H37NO5/c1-4-24-10-21(11-28-2)6-5-17(25)23-13-7-12-15(29-3)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/t12-,13-,14+,15+,16-,17-,18-,19+,20-,21+,22+,23-/m1/s1",CCN1C[C@]2(COC)CC[C@@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C23H37NO5,pos_1_1proton,407.2671732839999,RBSZCNOWHDHRFZ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum nemorum,44343.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum nemorum'],6,0,6.0 154098,6948,-1,,,,0.0,MS1_match,MAFISJYAUUZDMK-GYXKTGJPSA-N,"InChI=1S/C23H37NO5/c1-5-24-10-21(2)7-6-14(25)23-12-8-11-13(28-3)9-22(27,15(12)17(11)26)16(20(23)24)18(29-4)19(21)23/h11-20,25-27H,5-10H2,1-4H3/t11-,12-,13+,14-,15-,16-,17-,18-,19+,20+,21-,22-,23-/m1/s1",CCN1C[C@@]2(C)CC[C@@H](O)[C@]34[C@@H]5C[C@H]6[C@@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@H]([C@@H](OC)[C@@H]23)[C@H]14,C23H37NO5,pos_1_1proton,407.267173284,MAFISJYAUUZDMK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium pentagynum,782529.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium pentagynum'],6,0,6.0 154099,6948,-1,,,,0.0,MS1_match,QTYLIQYDCJFWRI-GJEMBUAKSA-N,"InChI=1S/C22H33NO4/c1-4-23(27)10-20(3)7-6-15(24)22-14(20)9-13(18(22)23)21-8-5-12(11(2)19(21)26)16(25)17(21)22/h12-19,24-26H,2,4-10H2,1,3H3/t12-,13+,14-,15+,16+,17-,18-,19-,20+,21+,22+,23?/m1/s1",C=C1[C@H]2CC[C@@]3([C@@H]1O)[C@@H]([C@H]2O)[C@@]12[C@@H]4C[C@H]3[C@H]1[N+]([O-])(CC)C[C@]4(C)CC[C@@H]2O,C22H33NO4,pos_1_1proton1methanol,375.240958536,QTYLIQYDCJFWRI,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum kirinense,5737821.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum kirinense'],6,0,6.0 154100,6948,-1,,,,0.0,MS1_match,QQKAAJSZSAWUBV-UHFFFAOYSA-N,"InChI=1S/C22H33NO4/c1-4-23-9-20(3)6-5-14(24)22-13(20)7-12(18(22)23)21-8-11(10(2)19(21)27)15(25)16(26)17(21)22/h11-19,24-27H,2,4-9H2,1,3H3",C=C1C2CC3(C1O)C1CC4C5(C)CCC(O)C4(C1N(CC)C5)C3C(O)C2O,C22H33NO4,pos_1_1proton1methanol,375.240958536,QQKAAJSZSAWUBV,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Aconitum turczaninowii,1014257.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum baicalense'],6,0,6.0 154101,6948,-1,,,,0.0,MS1_match,XWUKPLHDKUEVSQ-UHFFFAOYSA-N,"InChI=1S/C22H33NO4/c1-13-14-9-16-21(19(13)27,18(26)10-14)6-3-15-20(2)5-4-17(25)22(15,16)12-23(11-20)7-8-24/h14-17,19,24-25,27H,1,3-12H2,2H3",C=C1C2CC(=O)C3(CCC4C5(C)CCC(O)C4(CN(CCO)C5)C3C2)C1O,C22H33NO4,pos_1_1proton1methanol,375.240958536,XWUKPLHDKUEVSQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum kusnezoffii,141633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum kusnezoffii'],6,0,6.0 154102,6948,-1,,,,0.0,MS1_match,RBSZCNOWHDHRFZ-PMLXDASCSA-N,"InChI=1S/C23H37NO5/c1-4-24-10-21(11-28-2)6-5-17(25)23-13-7-12-15(29-3)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/t12-,13+,14+,15-,16+,17-,18+,19-,20?,21-,22-,23+/m0/s1",CCN1C[C@]2(COC)CC[C@H](O)[C@]34C1[C@@H](C[C@H]23)[C@@]1(O)C[C@H](OC)[C@@H]2C[C@@H]4[C@@H]1[C@H]2O,C23H37NO5,pos_1_1proton,407.267173284,RBSZCNOWHDHRFZ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium nuttallianum,643524.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium nuttallianum'],6,0,6.0 154103,6948,-1,,,,0.0,MS1_match,RYTZLEVRXNSDGJ-SRKQURDMSA-N,"InChI=1S/C22H33NO4/c1-4-23-18-12-8-14-20(2)6-5-15(27-19(20)23)22(14,18)11-7-10-13(26-3)9-21(12,25)16(11)17(10)24/h10-19,24-25H,4-9H2,1-3H3/t10-,11-,12+,13+,14-,15+,16-,17+,18-,19-,20-,21+,22-/m1/s1",CCN1[C@@H]2O[C@H]3CC[C@]2(C)[C@H]2C[C@H]4[C@@H]1[C@@]32[C@@H]1C[C@H]2[C@H](O)[C@@H]1[C@]4(O)C[C@@H]2OC,C22H33NO4,pos_1_1proton1methanol,375.240958536,RYTZLEVRXNSDGJ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum karakolicum,44345.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum karakolicum'],6,0,6.0 154104,6948,-1,,,,0.0,MS1_match,UUHRXVLKKDUSLH-NIUDVQOPSA-N,"InChI=1S/C22H33NO4/c1-4-23-9-20(3)14-5-12-18(23)22(14,17(26)7-16(20)25)15-6-13(24)11-8-21(12,15)19(27)10(11)2/h11-19,24-27H,2,4-9H2,1,3H3/t11-,12+,13-,14-,15-,16-,17+,18-,19-,20+,21+,22+/m1/s1",C=C1[C@H]2C[C@@]3([C@@H]1O)[C@@H](C[C@H]2O)[C@]12[C@@H]4C[C@H]3[C@H]1N(CC)C[C@]4(C)[C@H](O)C[C@@H]2O,C22H33NO4,pos_1_1proton1methanol,375.240958536,UUHRXVLKKDUSLH,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Aconitum brunneum,413968.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum brunneum'],6,0,6.0 154105,6948,-1,,,,0.0,MS1_match,DEMQJEXKIJFBRD-UHFFFAOYSA-N,"InChI=1S/C22H33NO4/c1-4-23(27)10-20(3)6-5-17(25)22-15(20)7-13(18(22)23)21-9-12(11(2)19(21)26)14(24)8-16(21)22/h12-19,24-26H,2,4-10H2,1,3H3",C=C1C2CC3(C1O)C1CC4C5(C)CCC(O)C4(C3CC2O)C1[N+]([O-])(CC)C5,C22H33NO4,pos_1_1proton1methanol,375.240958536,DEMQJEXKIJFBRD,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Aconitum baicalense,1014257.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum baicalense'],6,0,6.0 154106,6948,-1,,,,0.0,MS1_match,DEMQJEXKIJFBRD-NWPVBJRSSA-N,"InChI=1S/C22H33NO4/c1-4-23(27)10-20(3)6-5-17(25)22-15(20)7-13(18(22)23)21-9-12(11(2)19(21)26)14(24)8-16(21)22/h12-19,24-26H,2,4-10H2,1,3H3/t12-,13+,14+,15-,16-,17+,18-,19-,20-,21+,22+,23-/m1/s1",C=C1[C@H]2C[C@@]3([C@@H]1O)[C@@H](C[C@@H]2O)[C@]12[C@@H]4C[C@H]3[C@H]1[N@@+]([O-])(CC)C[C@@]4(C)CC[C@@H]2O,C22H33NO4,pos_1_1proton1methanol,375.240958536,DEMQJEXKIJFBRD,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Aconitum soongaricum,5143682.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum soongaricum'],6,0,6.0 154107,6948,-1,,,,0.0,MS1_match,DEMQJEXKIJFBRD-NWPVBJRSSA-N,"InChI=1S/C22H33NO4/c1-4-23(27)10-20(3)6-5-17(25)22-15(20)7-13(18(22)23)21-9-12(11(2)19(21)26)14(24)8-16(21)22/h12-19,24-26H,2,4-10H2,1,3H3/t12-,13+,14+,15-,16-,17+,18-,19-,20-,21+,22+,23-/m1/s1",C=C1[C@H]2C[C@@]3([C@@H]1O)[C@@H](C[C@@H]2O)[C@]12[C@@H]4C[C@H]3[C@H]1[N@@+]([O-])(CC)C[C@@]4(C)CC[C@@H]2O,C22H33NO4,pos_1_1proton1methanol,375.240958536,DEMQJEXKIJFBRD,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Aconitum flavum,44348.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum flavum'],6,0,6.0 154108,6948,-1,,,,0.0,MS1_match,DEMQJEXKIJFBRD-LGTBQFFLSA-N,"InChI=1S/C22H33NO4/c1-4-23(27)10-20(3)6-5-17(25)22-15(20)7-13(18(22)23)21-9-12(11(2)19(21)26)14(24)8-16(21)22/h12-19,24-26H,2,4-10H2,1,3H3/t12-,13?,14+,15?,16?,17+,18?,19-,20+,21-,22+,23?/m1/s1",C=C1[C@H]2C[C@]3(C4CC5[C@@]6(C)CC[C@H](O)[C@]5(C3C[C@@H]2O)C4[N+]([O-])(CC)C6)[C@@H]1O,C22H33NO4,pos_1_1proton1methanol,375.240958536,DEMQJEXKIJFBRD,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Aconitum karakolicum,44345.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum karakolicum'],6,0,6.0 154109,6948,-1,,,,0.0,MS1_match,RXGJFLXLQIECAN-BZDFKLGJSA-N,"InChI=1S/C22H34NO2/c1-15-16-4-8-21(19(15)25)9-5-17-20(2)6-3-7-22(17,18(21)12-16)14-23(13-20)10-11-24/h14,16-19,24-25H,1,3-13H2,2H3/q+1/t16-,17+,18+,19+,20-,21-,22-/m0/s1",C=C1[C@H]2CC[C@@]3(CC[C@@H]4[C@@]5(C)CCC[C@@]4(C=[N+](CCO)C5)[C@@H]3C2)[C@@H]1O,C22H34NO2+,pos_1_1sodium1acetonitrile,344.25840574809,RXGJFLXLQIECAN,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum orochryseum,6131466.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum orochryseum'],6,0,6.0 154110,6948,-1,,,,0.0,MS1_match,RXGJFLXLQIECAN-JPMOWHAPSA-N,"InChI=1S/C22H34NO2/c1-15-16-4-8-21(19(15)25)9-5-17-20(2)6-3-7-22(17,18(21)12-16)14-23(13-20)10-11-24/h14,16-19,24-25H,1,3-13H2,2H3/q+1/t16?,17-,18-,19-,20+,21+,22+/m1/s1",C=C1C2CC[C@@]3(CC[C@@H]4[C@@]5(C)CCC[C@@]4(C=[N+](CCO)C5)[C@@H]3C2)[C@@H]1O,C22H34NO2+,pos_1_1sodium1acetonitrile,344.25840574809,RXGJFLXLQIECAN,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum jaluense,549539.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum jaluense'],6,0,6.0 154111,6948,-1,,,,0.0,MS1_match,RXGJFLXLQIECAN-BZDFKLGJSA-N,"InChI=1S/C22H34NO2/c1-15-16-4-8-21(19(15)25)9-5-17-20(2)6-3-7-22(17,18(21)12-16)14-23(13-20)10-11-24/h14,16-19,24-25H,1,3-13H2,2H3/q+1/t16-,17+,18+,19+,20-,21-,22-/m0/s1",C=C1[C@H]2CC[C@@]3(CC[C@@H]4[C@@]5(C)CCC[C@@]4(C=[N+](CCO)C5)[C@@H]3C2)[C@@H]1O,C22H34NO2+,pos_1_1sodium1acetonitrile,344.25840574809,RXGJFLXLQIECAN,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium peregrinum,885398.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium peregrinum'],6,0,6.0 154112,6948,-1,,,,0.0,MS1_match,RXGJFLXLQIECAN-BZDFKLGJSA-N,"InChI=1S/C22H34NO2/c1-15-16-4-8-21(19(15)25)9-5-17-20(2)6-3-7-22(17,18(21)12-16)14-23(13-20)10-11-24/h14,16-19,24-25H,1,3-13H2,2H3/q+1/t16-,17+,18+,19+,20-,21-,22-/m0/s1",C=C1[C@H]2CC[C@@]3(CC[C@@H]4[C@@]5(C)CCC[C@@]4(C=[N+](CCO)C5)[C@@H]3C2)[C@@H]1O,C22H34NO2+,pos_1_1sodium1acetonitrile,344.25840574809,RXGJFLXLQIECAN,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium favargeri,209870.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium favargeri'],6,0,6.0 154113,6948,-1,,,,0.0,MS1_match,QJPCKAJTLHDNCS-KQDSFGJDSA-N,"InChI=1S/C23H34O5/c1-20-7-3-15(24)12-22(20,26)9-5-18-17(20)4-8-21(2)16(6-10-23(18,21)27)14-11-19(25)28-13-14/h11,15-18,24,26-27H,3-10,12-13H2,1-2H3/t15-,16-,17+,18-,20-,21-,22+,23+/m1/s1",C[C@]12CC[C@@H](O)C[C@@]1(O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O,C23H34O5,pos_1_1proton1ammonium,390.240624188,QJPCKAJTLHDNCS,Terpenoids,Steroids,Cardenolides,Adonis vernalis,693556.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Adonideae'],['Adonis'],['Adonis vernalis'],6,0,6.0 154114,6948,-1,,,,0.0,MS1_match,QJPCKAJTLHDNCS-KQDSFGJDSA-N,"InChI=1S/C23H34O5/c1-20-7-3-15(24)12-22(20,26)9-5-18-17(20)4-8-21(2)16(6-10-23(18,21)27)14-11-19(25)28-13-14/h11,15-18,24,26-27H,3-10,12-13H2,1-2H3/t15-,16-,17+,18-,20-,21-,22+,23+/m1/s1",C[C@]12CC[C@@H](O)C[C@@]1(O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O,C23H34O5,pos_1_1proton1ammonium,390.240624188,QJPCKAJTLHDNCS,Terpenoids,Steroids,Cardenolides,Adonis aestivalis,585229.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Adonideae'],['Adonis'],['Adonis aestivalis'],6,0,6.0 154115,6948,-1,,,,0.0,MS1_match,QJPCKAJTLHDNCS-KQDSFGJDSA-N,"InChI=1S/C23H34O5/c1-20-7-3-15(24)12-22(20,26)9-5-18-17(20)4-8-21(2)16(6-10-23(18,21)27)14-11-19(25)28-13-14/h11,15-18,24,26-27H,3-10,12-13H2,1-2H3/t15-,16-,17+,18-,20-,21-,22+,23+/m1/s1",C[C@]12CC[C@@H](O)C[C@@]1(O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O,C23H34O5,pos_1_1proton1ammonium,390.240624188,QJPCKAJTLHDNCS,Terpenoids,Steroids,Cardenolides,Adonis vernalis,693556.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Adonideae'],['Adonis'],['Adonis vernalis'],6,0,6.0 154116,6948,-1,,,,0.0,MS1_match,FYWKVUJEFHOLFV-IHABHUDHSA-N,"InChI=1S/C22H33NO4/c1-4-23-11-20(2)7-6-16(26-3)22-13-9-12-5-8-21(25,17(13)19(24)27-12)14(18(22)23)10-15(20)22/h12-18,25H,4-11H2,1-3H3/t12-,13-,14+,15-,16+,17-,18-,20+,21+,22-/m1/s1",CCN1C[C@]2(C)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6CC[C@](O)([C@@H](C[C@H]23)[C@@H]14)[C@H]5C(=O)O6,C22H33NO4,pos_1_1proton1methanol,375.240958536,FYWKVUJEFHOLFV,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum heterophyllum,124446.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum heterophyllum'],6,0,6.0 154117,6948,-1,,,,0.0,MS1_match,JQRBIDFJGMVSMU-YJBUWYFZSA-N,"InChI=1S/C23H37NO5/c1-5-24-11-20(2)7-6-16(25)23-15(20)8-13(19(23)24)21(26)10-14(28-3)12-9-22(23,27)18(21)17(12)29-4/h12-19,25-27H,5-11H2,1-4H3/t12-,13+,14-,15-,16-,17+,18-,19-,20+,21+,22+,23+/m1/s1",CCN1C[C@]2(C)CC[C@@H](O)[C@@]34[C@@H]2C[C@@H]([C@@H]13)[C@@]1(O)C[C@@H](OC)[C@H]2C[C@]4(O)[C@@H]1[C@H]2OC,C23H37NO5,pos_1_1proton,407.267173284,JQRBIDFJGMVSMU,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium nuttallianum,643524.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium nuttallianum'],6,0,6.0 154118,6948,-1,,,,0.0,MS1_match,RBSZCNOWHDHRFZ-KCHRERBJSA-N,"InChI=1S/C23H37NO5/c1-4-24-10-21(11-28-2)6-5-17(25)23-13-7-12-15(29-3)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/t12-,13-,14+,15+,16-,17-,18-,19+,20-,21+,22+,23-/m0/s1",CCN1C[C@@]2(COC)CC[C@H](O)[C@@]34[C@@H]1[C@@H](C[C@@H]23)[C@]1(O)C[C@@H](OC)[C@@H]2C[C@H]4[C@H]1[C@@H]2O,C23H37NO5,pos_1_1proton,407.267173284,RBSZCNOWHDHRFZ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Gymnaconitum gymnandrum,511673.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Gymnaconitum'],['Gymnaconitum gymnandrum'],6,0,6.0 154119,6948,-1,,,,0.0,MS1_match,RBSZCNOWHDHRFZ-PMLXDASCSA-N,"InChI=1S/C23H37NO5/c1-4-24-10-21(11-28-2)6-5-17(25)23-13-7-12-15(29-3)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/t12-,13+,14+,15-,16+,17-,18+,19-,20?,21-,22-,23+/m0/s1",CCN1C[C@]2(COC)CC[C@H](O)[C@]34C1[C@@H](C[C@H]23)[C@@]1(O)C[C@H](OC)[C@@H]2C[C@@H]4[C@@H]1[C@H]2O,C23H37NO5,pos_1_1proton,407.267173284,RBSZCNOWHDHRFZ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum carmichaelii,549536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum carmichaelii'],6,0,6.0 154120,6948,-1,,,,0.0,MS1_match,RBSZCNOWHDHRFZ-VHNKBEDGSA-N,"InChI=1S/C23H37NO5/c1-4-24-10-21(11-28-2)6-5-17(25)23-13-7-12-15(29-3)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/t12-,13-,14+,15+,16-,17+,18-,19+,20-,21+,22+,23-/m1/s1",CCN1C[C@]2(COC)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C23H37NO5,pos_1_1proton,407.2671732839999,RBSZCNOWHDHRFZ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum sanyoense,675791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum sanyoense'],6,0,6.0 154121,6948,-1,,,,0.0,MS1_match,RBSZCNOWHDHRFZ-ZBEOZCTOSA-N,"InChI=1S/C23H37NO5/c1-4-24-10-21(11-28-2)6-5-17(25)23-13-7-12-15(29-3)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/t12-,13?,14+,15+,16?,17+,18?,19?,20?,21+,22+,23-/m1/s1",CCN1C[C@]2(COC)CC[C@H](O)[C@@]34C5C[C@H]6C(O)C5[C@](O)(C[C@@H]6OC)[C@@H](CC23)C14,C23H37NO5,pos_1_1proton,407.267173284,RBSZCNOWHDHRFZ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum falconeri,6131385.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum falconeri'],6,0,6.0 154122,6948,-1,,,,0.0,MS1_match,RBSZCNOWHDHRFZ-ZBEOZCTOSA-N,"InChI=1S/C23H37NO5/c1-4-24-10-21(11-28-2)6-5-17(25)23-13-7-12-15(29-3)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/t12-,13?,14+,15+,16?,17+,18?,19?,20?,21+,22+,23-/m1/s1",CCN1C[C@]2(COC)CC[C@H](O)[C@@]34C5C[C@H]6C(O)C5[C@](O)(C[C@@H]6OC)[C@@H](CC23)C14,C23H37NO5,pos_1_1proton,407.267173284,RBSZCNOWHDHRFZ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum lethale,6131432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum lethale'],6,0,6.0 154123,6948,-1,,,,0.0,MS1_match,RBSZCNOWHDHRFZ-PMLXDASCSA-N,"InChI=1S/C23H37NO5/c1-4-24-10-21(11-28-2)6-5-17(25)23-13-7-12-15(29-3)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/t12-,13+,14+,15-,16+,17-,18+,19-,20?,21-,22-,23+/m0/s1",CCN1C[C@]2(COC)CC[C@H](O)[C@]34C1[C@@H](C[C@H]23)[C@@]1(O)C[C@H](OC)[C@@H]2C[C@@H]4[C@@H]1[C@H]2O,C23H37NO5,pos_1_1proton,407.267173284,RBSZCNOWHDHRFZ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium confusum,6131625.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium confusum'],6,0,6.0 154124,6948,-1,,,,0.0,MS1_match,RBSZCNOWHDHRFZ-YRNFJLKESA-N,"InChI=1S/C23H37NO5/c1-4-24-10-21(11-28-2)6-5-17(25)23-13-7-12-15(29-3)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/t12-,13-,14+,15+,16-,17-,18-,19+,20-,21+,22+,23-/m1/s1",CCN1C[C@]2(COC)CC[C@@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C23H37NO5,pos_1_1proton,407.2671732839999,RBSZCNOWHDHRFZ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum nemorum,44343.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum nemorum'],6,0,6.0 154125,6948,-1,,,,0.0,MS1_match,RBSZCNOWHDHRFZ-CFIIAAHPSA-N,"InChI=1S/C23H37NO5/c1-4-24-10-21(11-28-2)6-5-17(25)23-13-7-12-15(29-3)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/t12-,13?,14?,15+,16?,17+,18?,19?,20?,21-,22+,23-/m1/s1",CCN1C[C@@]2(COC)CC[C@H](O)[C@@]34C5C[C@H]6C(O)C5[C@](O)(C[C@@H]6OC)C(CC23)C14,C23H37NO5,pos_1_1proton,407.267173284,RBSZCNOWHDHRFZ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum carmichaeli,549536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum carmichaelii'],6,0,6.0 154126,6948,-1,,,,0.0,MS1_match,RBSZCNOWHDHRFZ-KCHRERBJSA-N,"InChI=1S/C23H37NO5/c1-4-24-10-21(11-28-2)6-5-17(25)23-13-7-12-15(29-3)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/t12-,13-,14+,15+,16-,17-,18-,19+,20-,21+,22+,23-/m0/s1",CCN1C[C@@]2(COC)CC[C@H](O)[C@@]34[C@@H]1[C@@H](C[C@@H]23)[C@]1(O)C[C@@H](OC)[C@@H]2C[C@H]4[C@H]1[C@@H]2O,C23H37NO5,pos_1_1proton,407.267173284,RBSZCNOWHDHRFZ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum talassicum,5737809.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum talassicum'],6,0,6.0 154127,6948,-1,,,,0.0,MS1_match,RBSZCNOWHDHRFZ-ZBEOZCTOSA-N,"InChI=1S/C23H37NO5/c1-4-24-10-21(11-28-2)6-5-17(25)23-13-7-12-15(29-3)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/t12-,13?,14+,15+,16?,17+,18?,19?,20?,21+,22+,23-/m1/s1",CCN1C[C@]2(COC)CC[C@H](O)[C@@]34C5C[C@H]6C(O)C5[C@](O)(C[C@@H]6OC)[C@@H](CC23)C14,C23H37NO5,pos_1_1proton,407.267173284,RBSZCNOWHDHRFZ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum racemulosum,892121.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum racemulosum'],6,0,6.0 154128,6948,-1,,,,0.0,MS1_match,RBSZCNOWHDHRFZ-BTBAWXFBSA-N,"InChI=1S/C23H37NO5/c1-4-24-10-21(11-28-2)6-5-17(25)23-13-7-12-15(29-3)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/t12-,13-,14+,15+,16-,17+,18-,19-,20-,21+,22+,23-/m0/s1",CCN1C[C@@]2(COC)CC[C@@H](O)[C@@]34[C@@H]1[C@@H](C[C@@H]23)[C@]1(O)C[C@@H](OC)[C@@H]2C[C@H]4[C@H]1[C@H]2O,C23H37NO5,pos_1_1proton,407.267173284,RBSZCNOWHDHRFZ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum delphiniifolium,506023.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum delphiniifolium'],6,0,6.0 154129,6948,-1,,,,0.0,MS1_match,RBSZCNOWHDHRFZ-VHNKBEDGSA-N,"InChI=1S/C23H37NO5/c1-4-24-10-21(11-28-2)6-5-17(25)23-13-7-12-15(29-3)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/t12-,13-,14+,15+,16-,17+,18-,19+,20-,21+,22+,23-/m1/s1",CCN1C[C@]2(COC)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C23H37NO5,pos_1_1proton,407.2671732839999,RBSZCNOWHDHRFZ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium roylei,6131791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium roylei'],6,0,6.0 154130,6948,-1,,,,0.0,MS1_match,RBSZCNOWHDHRFZ-GTRXRPRKSA-N,"InChI=1S/C23H37NO5/c1-4-24-10-21(11-28-2)6-5-17(25)23-13-7-12-15(29-3)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/t12-,13-,14-,15+,16+,17-,18-,19-,20+,21-,22+,23+/m0/s1",CCN1C[C@]2(COC)CC[C@H](O)[C@@]34[C@@H]2C[C@@H]([C@@H]13)[C@]1(O)C[C@@H](OC)[C@@H]2C[C@H]4[C@H]1[C@H]2O,C23H37NO5,pos_1_1proton,407.267173284,RBSZCNOWHDHRFZ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum piepunense,384357.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum piepunense'],6,0,6.0 154131,6948,-1,,,,0.0,MS1_match,RBSZCNOWHDHRFZ-VHNKBEDGSA-N,"InChI=1S/C23H37NO5/c1-4-24-10-21(11-28-2)6-5-17(25)23-13-7-12-15(29-3)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/t12-,13-,14+,15+,16-,17+,18-,19+,20-,21+,22+,23-/m1/s1",CCN1C[C@]2(COC)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C23H37NO5,pos_1_1proton,407.2671732839999,RBSZCNOWHDHRFZ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum ferox,1014250.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum ferox'],6,0,6.0 154132,6948,-1,,,,0.0,MS1_match,RBSZCNOWHDHRFZ-KCHRERBJSA-N,"InChI=1S/C23H37NO5/c1-4-24-10-21(11-28-2)6-5-17(25)23-13-7-12-15(29-3)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/t12-,13-,14+,15+,16-,17-,18-,19+,20-,21+,22+,23-/m0/s1",CCN1C[C@@]2(COC)CC[C@H](O)[C@@]34[C@@H]1[C@@H](C[C@@H]23)[C@]1(O)C[C@@H](OC)[C@@H]2C[C@H]4[C@H]1[C@@H]2O,C23H37NO5,pos_1_1proton,407.267173284,RBSZCNOWHDHRFZ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum columbianum,506026.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum columbianum'],6,0,6.0 154133,6948,-1,,,,0.0,MS1_match,RBSZCNOWHDHRFZ-KCHRERBJSA-N,"InChI=1S/C23H37NO5/c1-4-24-10-21(11-28-2)6-5-17(25)23-13-7-12-15(29-3)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/t12-,13-,14+,15+,16-,17-,18-,19+,20-,21+,22+,23-/m0/s1",CCN1C[C@@]2(COC)CC[C@H](O)[C@@]34[C@@H]1[C@@H](C[C@@H]23)[C@]1(O)C[C@@H](OC)[C@@H]2C[C@H]4[C@H]1[C@@H]2O,C23H37NO5,pos_1_1proton,407.267173284,RBSZCNOWHDHRFZ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum kusnezoffii,141633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum kusnezoffii'],6,0,6.0 154134,6948,-1,,,,0.0,MS1_match,RBSZCNOWHDHRFZ-NZOCHXEQSA-N,"InChI=1S/C23H37NO5/c1-4-24-10-21(11-28-2)6-5-17(25)23-13-7-12-15(29-3)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/t12-,13-,14+,15-,16-,17+,18-,19-,20-,21+,22+,23-/m0/s1",CCN1C[C@@]2(COC)CC[C@@H](O)[C@@]34[C@@H]1[C@@H](C[C@@H]23)[C@]1(O)C[C@H](OC)[C@@H]2C[C@H]4[C@H]1[C@H]2O,C23H37NO5,pos_1_1proton,407.267173284,RBSZCNOWHDHRFZ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium,518366.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Unknown'],6,0,6.0 154135,6948,-1,,,,0.0,MS1_match,RBSZCNOWHDHRFZ-UHFFFAOYSA-N,"InChI=1S/C23H37NO5/c1-4-24-10-21(11-28-2)6-5-17(25)23-13-7-12-15(29-3)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3",CCN1CC2(COC)CCC(O)C34C5CC6C(OC)CC(O)(C(CC23)C14)C5C6O,C23H37NO5,pos_1_1proton,407.2671732839999,RBSZCNOWHDHRFZ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium crispulum,309502.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium crispulum'],6,0,6.0 154136,6948,-1,,,,0.0,MS1_match,RBSZCNOWHDHRFZ-NZOCHXEQSA-N,"InChI=1S/C23H37NO5/c1-4-24-10-21(11-28-2)6-5-17(25)23-13-7-12-15(29-3)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/t12-,13-,14+,15-,16-,17+,18-,19-,20-,21+,22+,23-/m0/s1",CCN1C[C@@]2(COC)CC[C@@H](O)[C@@]34[C@@H]1[C@@H](C[C@@H]23)[C@]1(O)C[C@H](OC)[C@@H]2C[C@H]4[C@H]1[C@H]2O,C23H37NO5,pos_1_1proton,407.267173284,RBSZCNOWHDHRFZ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium denudatum,309508.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium denudatum'],6,0,6.0 154137,6948,-1,,,,0.0,MS1_match,RBSZCNOWHDHRFZ-VHNKBEDGSA-N,"InChI=1S/C23H37NO5/c1-4-24-10-21(11-28-2)6-5-17(25)23-13-7-12-15(29-3)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/t12-,13-,14+,15+,16-,17+,18-,19+,20-,21+,22+,23-/m1/s1",CCN1C[C@]2(COC)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C23H37NO5,pos_1_1proton,407.2671732839999,RBSZCNOWHDHRFZ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum nagarum,488235.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum nagarum'],6,0,6.0 154138,6948,-1,,,,0.0,MS1_match,RBSZCNOWHDHRFZ-PMLXDASCSA-N,"InChI=1S/C23H37NO5/c1-4-24-10-21(11-28-2)6-5-17(25)23-13-7-12-15(29-3)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/t12-,13+,14+,15-,16+,17-,18+,19-,20?,21-,22-,23+/m0/s1",CCN1C[C@]2(COC)CC[C@H](O)[C@]34C1[C@@H](C[C@H]23)[C@@]1(O)C[C@H](OC)[C@@H]2C[C@@H]4[C@@H]1[C@H]2O,C23H37NO5,pos_1_1proton,407.267173284,RBSZCNOWHDHRFZ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum,756111.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Unknown'],6,0,6.0 154139,6948,-1,,,,0.0,MS1_match,RBSZCNOWHDHRFZ-PMLXDASCSA-N,"InChI=1S/C23H37NO5/c1-4-24-10-21(11-28-2)6-5-17(25)23-13-7-12-15(29-3)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/t12-,13+,14+,15-,16+,17-,18+,19-,20?,21-,22-,23+/m0/s1",CCN1C[C@]2(COC)CC[C@H](O)[C@]34C1[C@@H](C[C@H]23)[C@@]1(O)C[C@H](OC)[C@@H]2C[C@@H]4[C@@H]1[C@H]2O,C23H37NO5,pos_1_1proton,407.267173284,RBSZCNOWHDHRFZ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum fukutomei,921880.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum bartlettii'],6,0,6.0 154140,6948,-1,,,,0.0,MS1_match,RBSZCNOWHDHRFZ-PMLXDASCSA-N,"InChI=1S/C23H37NO5/c1-4-24-10-21(11-28-2)6-5-17(25)23-13-7-12-15(29-3)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/t12-,13+,14+,15-,16+,17-,18+,19-,20?,21-,22-,23+/m0/s1",CCN1C[C@]2(COC)CC[C@H](O)[C@]34C1[C@@H](C[C@H]23)[C@@]1(O)C[C@H](OC)[C@@H]2C[C@@H]4[C@@H]1[C@H]2O,C23H37NO5,pos_1_1proton,407.267173284,RBSZCNOWHDHRFZ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum burnatii,3944952.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum burnatii'],6,0,6.0 154141,6948,-1,,,,0.0,MS1_match,RBSZCNOWHDHRFZ-PMLXDASCSA-N,"InChI=1S/C23H37NO5/c1-4-24-10-21(11-28-2)6-5-17(25)23-13-7-12-15(29-3)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/t12-,13+,14+,15-,16+,17-,18+,19-,20?,21-,22-,23+/m0/s1",CCN1C[C@]2(COC)CC[C@H](O)[C@]34C1[C@@H](C[C@H]23)[C@@]1(O)C[C@H](OC)[C@@H]2C[C@@H]4[C@@H]1[C@H]2O,C23H37NO5,pos_1_1proton,407.267173284,RBSZCNOWHDHRFZ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum nevadense,3944952.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum burnatii'],6,0,6.0 154142,6948,-1,,,,0.0,MS1_match,RBSZCNOWHDHRFZ-PMLXDASCSA-N,"InChI=1S/C23H37NO5/c1-4-24-10-21(11-28-2)6-5-17(25)23-13-7-12-15(29-3)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/t12-,13+,14+,15-,16+,17-,18+,19-,20?,21-,22-,23+/m0/s1",CCN1C[C@]2(COC)CC[C@H](O)[C@]34C1[C@@H](C[C@H]23)[C@@]1(O)C[C@H](OC)[C@@H]2C[C@@H]4[C@@H]1[C@H]2O,C23H37NO5,pos_1_1proton,407.267173284,RBSZCNOWHDHRFZ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum chasmanthum,5737840.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum chasmanthum'],6,0,6.0 154143,6948,-1,,,,0.0,MS1_match,RBSZCNOWHDHRFZ-UHFFFAOYSA-N,"InChI=1S/C23H37NO5/c1-4-24-10-21(11-28-2)6-5-17(25)23-13-7-12-15(29-3)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3",CCN1CC2(COC)CCC(O)C34C5CC6C(OC)CC(O)(C(CC23)C14)C5C6O,C23H37NO5,pos_1_1proton,407.2671732839999,RBSZCNOWHDHRFZ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum anthora,14057.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum anthora'],6,0,6.0 154144,6948,-1,,,,0.0,MS1_match,RBSZCNOWHDHRFZ-VHNKBEDGSA-N,"InChI=1S/C23H37NO5/c1-4-24-10-21(11-28-2)6-5-17(25)23-13-7-12-15(29-3)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/t12-,13-,14+,15+,16-,17+,18-,19+,20-,21+,22+,23-/m1/s1",CCN1C[C@]2(COC)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C23H37NO5,pos_1_1proton,407.2671732839999,RBSZCNOWHDHRFZ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum balfourii,698586.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum balfourii'],6,0,6.0 154145,6948,-1,,,,0.0,MS1_match,RBSZCNOWHDHRFZ-KCHRERBJSA-N,"InChI=1S/C23H37NO5/c1-4-24-10-21(11-28-2)6-5-17(25)23-13-7-12-15(29-3)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/t12-,13-,14+,15+,16-,17-,18-,19+,20-,21+,22+,23-/m0/s1",CCN1C[C@@]2(COC)CC[C@H](O)[C@@]34[C@@H]1[C@@H](C[C@@H]23)[C@]1(O)C[C@@H](OC)[C@@H]2C[C@H]4[C@H]1[C@@H]2O,C23H37NO5,pos_1_1proton,407.267173284,RBSZCNOWHDHRFZ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum vilmorinianum,976183.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum vilmorinianum'],6,0,6.0 154146,6948,-1,,,,0.0,MS1_match,RBSZCNOWHDHRFZ-ZBEOZCTOSA-N,"InChI=1S/C23H37NO5/c1-4-24-10-21(11-28-2)6-5-17(25)23-13-7-12-15(29-3)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/t12-,13?,14+,15+,16?,17+,18?,19?,20?,21+,22+,23-/m1/s1",CCN1C[C@]2(COC)CC[C@H](O)[C@@]34C5C[C@H]6C(O)C5[C@](O)(C[C@@H]6OC)[C@@H](CC23)C14,C23H37NO5,pos_1_1proton,407.267173284,RBSZCNOWHDHRFZ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium pyramidale,782525.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium pyramidale'],6,0,6.0 154147,6948,-1,,,,0.0,MS1_match,SVTDHBCGROFNFY-CEMIRNGBSA-N,"InChI=1S/C23H37NO5/c1-5-24-10-21(2)7-6-14(29-4)23-12-8-11-13(28-3)9-22(27,15(12)17(11)25)16(20(23)24)18(26)19(21)23/h11-20,25-27H,5-10H2,1-4H3/t11-,12-,13+,14+,15-,16-,17-,18-,19+,20+,21-,22-,23-/m0/s1",CCN1C[C@]2(C)CC[C@@H](OC)[C@@]34[C@@H]2[C@@H](O)[C@@H]([C@@H]13)[C@]1(O)C[C@@H](OC)[C@@H]2C[C@H]4[C@H]1[C@H]2O,C23H37NO5,pos_1_1proton,407.267173284,SVTDHBCGROFNFY,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium munzianum,6131738.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium munzianum'],6,0,6.0 154029,6947,-1,,,,0.0,MS1_match,IJVBJQZGTABEMP-CONSDPRKSA-N,"InChI=1S/C42H52N2O10/c1-43-15-13-25-20-34(47-4)35(22-28(25)30(43)17-24-11-12-33(46-3)32(45)18-24)54-37-21-26(38(49-6)42(53-10)41(37)52-9)19-31-29-23-36(48-5)40(51-8)39(50-7)27(29)14-16-44(31)2/h11-12,18,20-23,30-31,45H,13-17,19H2,1-10H3/t30-,31-/m0/s1",COc1ccc(C[C@H]2c3cc(Oc4cc(C[C@H]5c6cc(OC)c(OC)c(OC)c6CCN5C)c(OC)c(OC)c4OC)c(OC)cc3CCN2C)cc1O,C42H52N2O10,pos_1_minus1proton2sodium,744.362195864,IJVBJQZGTABEMP,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Isopyrum thalictroides,949657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Isopyrum'],['Isopyrum thalictroides'],6,0,6.0 154014,6945,-1,,,,0.0,MS1_match,ZFMSMUAANRJZFM-UHFFFAOYSA-N,"InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3,5-8H,1,4H2,2H3",C=CCc1ccc(OC)cc1,C10H12O,pos_2MHNH3,148.088815004,ZFMSMUAANRJZFM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Nigella sativa,142360.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Nigelleae'],['Nigella'],['Nigella sativa'],6,0,6.0 154015,6945,-1,,,,0.0,MS1_match,RUVINXPYWBROJD-ONEGZZNKSA-N,"InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3/b4-3+",C/C=C/c1ccc(OC)cc1,C10H12O,pos_2MHNH3,148.088815004,RUVINXPYWBROJD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Nigella sativa,142360.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Nigelleae'],['Nigella'],['Nigella sativa'],6,0,6.0 154016,6945,-1,,,,0.0,MS1_match,ZYUGHWYPNFVSPX-UWGDBOAGSA-N,"InChI=1S/C20H27NO2/c1-9-10-3-12-16-20-6-11(22)5-18(2)8-21(16)13(15(18)20)7-19(12,17(9)23)14(20)4-10/h10-17,22-23H,1,3-8H2,2H3/t10-,11-,12+,13-,14+,15+,16+,17+,18-,19+,20+/m0/s1",C=C1[C@@H]2C[C@@H]3[C@]4(C[C@H]5[C@@H]6[C@@]7(C)C[C@H](O)C[C@@]36[C@@H]([C@H]4C2)N5C7)[C@@H]1O,C20H27NO2,pos_1_1proton,313.204179104,ZYUGHWYPNFVSPX,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum sanyoense,675791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum sanyoense'],6,0,6.0 154017,6945,-1,,,,0.0,MS1_match,PHDIRUNEPRFKTF-KATCSWHKSA-N,"InChI=1S/C20H27NO2/c1-9-10-5-11-16-20-13(6-10)19(11,17(9)23)7-12-15(20)18(2,8-21(12)16)4-3-14(20)22/h10-17,22-23H,1,3-8H2,2H3/t10-,11+,12-,13+,14+,15+,16+,17+,18+,19+,20-/m0/s1",C=C1[C@H]2C[C@@H]3[C@H]4N5C[C@@]6(C)CC[C@@H](O)[C@@]47[C@@H]6[C@@H]5C[C@]3([C@@H]1O)[C@H]7C2,C20H27NO2,pos_1_1proton,313.204179104,PHDIRUNEPRFKTF,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium davisii,6131635.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium davisii'],6,0,6.0 154018,6945,-1,,,,0.0,MS1_match,PHDIRUNEPRFKTF-UHFFFAOYSA-N,"InChI=1S/C20H27NO2/c1-9-10-5-11-16-20-13(6-10)19(11,17(9)23)7-12-15(20)18(2,8-21(12)16)4-3-14(20)22/h10-17,22-23H,1,3-8H2,2H3",C=C1C2CC3C4N5CC6(C)CCC(O)C47C6C5CC3(C1O)C7C2,C20H27NO2,pos_1_1proton,313.204179104,PHDIRUNEPRFKTF,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium verdunense,142827.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium verdunense'],6,0,6.0 154019,6945,-1,,,,0.0,MS1_match,PHDIRUNEPRFKTF-UHFFFAOYSA-N,"InChI=1S/C20H27NO2/c1-9-10-5-11-16-20-13(6-10)19(11,17(9)23)7-12-15(20)18(2,8-21(12)16)4-3-14(20)22/h10-17,22-23H,1,3-8H2,2H3",C=C1C2CC3C4N5CC6(C)CCC(O)C47C6C5CC3(C1O)C7C2,C20H27NO2,pos_1_1proton,313.204179104,PHDIRUNEPRFKTF,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium cossonianum,209868.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium cossonianum'],6,0,6.0 154020,6945,-1,,,,0.0,MS1_match,WCHIUNLZAZRMKU-RXWAOHGHSA-N,"InChI=1S/C20H27NO2/c1-10-6-19-7-13-15-18(9-22)3-2-4-20(15)16(19)14(23)11(10)5-12(19)17(20)21(13)8-18/h11-17,22-23H,1-9H2/t11-,12-,13+,14+,15-,16-,17-,18+,19+,20+/m1/s1",C=C1C[C@@]23C[C@H]4[C@@H]5[C@@]6(CO)CCC[C@@]57[C@@H]2[C@@H](O)[C@@H]1C[C@@H]3[C@H]7N4C6,C20H27NO2,pos_1_1proton,313.204179104,WCHIUNLZAZRMKU,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium virgatum,885406.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium virgatum'],6,0,6.0 154021,6945,-1,,,,0.0,MS1_match,WCHIUNLZAZRMKU-RXWAOHGHSA-N,"InChI=1S/C20H27NO2/c1-10-6-19-7-13-15-18(9-22)3-2-4-20(15)16(19)14(23)11(10)5-12(19)17(20)21(13)8-18/h11-17,22-23H,1-9H2/t11-,12-,13+,14+,15-,16-,17-,18+,19+,20+/m1/s1",C=C1C[C@@]23C[C@H]4[C@@H]5[C@@]6(CO)CCC[C@@]57[C@@H]2[C@@H](O)[C@@H]1C[C@@H]3[C@H]7N4C6,C20H27NO2,pos_1_1proton,313.204179104,WCHIUNLZAZRMKU,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium davisii,6131635.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium davisii'],6,0,6.0 154022,6945,-1,,,,0.0,MS1_match,SYQIMSBCRURKCZ-UHFFFAOYSA-N,"InChI=1S/C20H27NO2/c1-9-10-6-11-16-19-5-3-4-18(2)8-21(16)12(14(18)19)7-20(11,17(9)23)15(19)13(10)22/h10-17,22-23H,1,3-8H2,2H3",C=C1C2CC3C4N5CC6(C)CCCC47C6C5CC3(C1O)C7C2O,C20H27NO2,pos_1_1proton,313.204179104,SYQIMSBCRURKCZ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum sachalinense,1064657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum sachalinense'],6,0,6.0 154023,6945,-1,,,,0.0,MS1_match,SYQIMSBCRURKCZ-ONZZGSHQSA-N,"InChI=1S/C20H27NO2/c1-9-10-6-11-16-19-5-3-4-18(2)8-21(16)12(14(18)19)7-20(11,17(9)23)15(19)13(10)22/h10-17,22-23H,1,3-8H2,2H3/t10-,11-,12+,13+,14-,15+,16-,17-,18-,19+,20-/m1/s1",C=C1[C@H]2C[C@@H]3[C@H]4N5C[C@@]6(C)CCC[C@]47[C@H]([C@H]2O)[C@]3(C[C@H]5[C@H]67)[C@@H]1O,C20H27NO2,pos_1_1proton,313.204179104,SYQIMSBCRURKCZ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium davisii,6131635.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium davisii'],6,0,6.0 154024,6945,-1,,,,0.0,MS1_match,SYQIMSBCRURKCZ-ONZZGSHQSA-N,"InChI=1S/C20H27NO2/c1-9-10-6-11-16-19-5-3-4-18(2)8-21(16)12(14(18)19)7-20(11,17(9)23)15(19)13(10)22/h10-17,22-23H,1,3-8H2,2H3/t10-,11-,12+,13+,14-,15+,16-,17-,18-,19+,20-/m1/s1",C=C1[C@H]2C[C@@H]3[C@H]4N5C[C@@]6(C)CCC[C@]47[C@H]([C@H]2O)[C@]3(C[C@H]5[C@H]67)[C@@H]1O,C20H27NO2,pos_1_1proton,313.204179104,SYQIMSBCRURKCZ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum orientale,586781.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum orientale'],6,0,6.0 154025,6945,-1,,,,0.0,MS1_match,SYQIMSBCRURKCZ-ONZZGSHQSA-N,"InChI=1S/C20H27NO2/c1-9-10-6-11-16-19-5-3-4-18(2)8-21(16)12(14(18)19)7-20(11,17(9)23)15(19)13(10)22/h10-17,22-23H,1,3-8H2,2H3/t10-,11-,12+,13+,14-,15+,16-,17-,18-,19+,20-/m1/s1",C=C1[C@H]2C[C@@H]3[C@H]4N5C[C@@]6(C)CCC[C@]47[C@H]([C@H]2O)[C@]3(C[C@H]5[C@H]67)[C@@H]1O,C20H27NO2,pos_1_1proton,313.204179104,SYQIMSBCRURKCZ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum,756111.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Unknown'],6,0,6.0 154026,6945,-1,,,,0.0,MS1_match,SYQIMSBCRURKCZ-UHFFFAOYSA-N,"InChI=1S/C20H27NO2/c1-9-10-6-11-16-19-5-3-4-18(2)8-21(16)12(14(18)19)7-20(11,17(9)23)15(19)13(10)22/h10-17,22-23H,1,3-8H2,2H3",C=C1C2CC3C4N5CC6(C)CCCC47C6C5CC3(C1O)C7C2O,C20H27NO2,pos_1_1proton,313.204179104,SYQIMSBCRURKCZ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum talassicum,5737809.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum talassicum'],6,0,6.0 154027,6945,-1,,,,0.0,MS1_match,YKBXNPOUSBTDDB-PRLMBHFFSA-N,"InChI=1S/C20H27NO2/c1-10-7-18-8-20(23)16-17(2)4-3-5-19(16)14(18)13(22)11(10)6-12(18)15(19)21(20)9-17/h11-16,22-23H,1,3-9H2,2H3/t11-,12-,13-,14-,15-,16-,17+,18+,19+,20-/m1/s1",C=C1C[C@@]23C[C@@]4(O)[C@@H]5[C@@]6(C)CCC[C@@]57[C@@H]2[C@H](O)[C@@H]1C[C@@H]3[C@H]7N4C6,C20H27NO2,pos_1_1proton,313.204179104,YKBXNPOUSBTDDB,Terpenoids,Diterpenoids,Atisane diterpenoids,Delphinium venulosum,885408.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium venulosum'],6,0,6.0 154028,6945,-1,,,,0.0,MS1_match,KTNFGMKTBBPQCI-BTAYRQPMSA-N,"InChI=1S/C20H27NO2/c1-11-12-8-13-15-19-5-3-4-17(2,10-21-15)20(19,23)7-6-18(13,16(11)22)14(19)9-12/h10,12-16,22-23H,1,3-9H2,2H3/t12-,13+,14+,15+,16-,17-,18+,19-,20-/m0/s1",C=C1[C@H]2C[C@@H]3[C@H]4N=C[C@]5(C)CCC[C@]46[C@H](C2)[C@]3(CC[C@@]65O)[C@H]1O,C20H27NO2,pos_1_1proton,313.204179104,KTNFGMKTBBPQCI,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum naviculare,5737802.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum naviculare'],6,0,6.0 154010,6940,-1,,,,0.0,MS1_match,PULWZCUZNRVAHT-VBUZYTKISA-N,"InChI=1S/C31H43NO10/c1-32-13-28(14-38-2)17(33)11-18(39-3)30-16-12-29(36)25(42-27(35)15-9-7-6-8-10-15)19(16)31(37,24(34)26(29)41-5)20(23(30)32)21(40-4)22(28)30/h6-10,16-26,33-34,36-37H,11-14H2,1-5H3/t16?,17-,18+,19-,20?,21+,22-,23-,24+,25-,26+,28+,29?,30+,31-/m1/s1",COC[C@]12CN(C)[C@@H]3C4[C@H](OC)[C@H]1[C@]3(C1CC3(O)[C@H](OC(=O)c5ccccc5)[C@@H]1[C@]4(O)[C@@H](O)[C@@H]3OC)[C@@H](OC)C[C@H]2O,C31H43NO10,pos_1_1proton1methanol,589.288696576,PULWZCUZNRVAHT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum,756111.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Unknown'],6,0,6.0 154011,6940,-1,,,,0.0,MS1_match,PULWZCUZNRVAHT-VBUZYTKISA-N,"InChI=1S/C31H43NO10/c1-32-13-28(14-38-2)17(33)11-18(39-3)30-16-12-29(36)25(42-27(35)15-9-7-6-8-10-15)19(16)31(37,24(34)26(29)41-5)20(23(30)32)21(40-4)22(28)30/h6-10,16-26,33-34,36-37H,11-14H2,1-5H3/t16?,17-,18+,19-,20?,21+,22-,23-,24+,25-,26+,28+,29?,30+,31-/m1/s1",COC[C@]12CN(C)[C@@H]3C4[C@H](OC)[C@H]1[C@]3(C1CC3(O)[C@H](OC(=O)c5ccccc5)[C@@H]1[C@]4(O)[C@@H](O)[C@@H]3OC)[C@@H](OC)C[C@H]2O,C31H43NO10,pos_1_1proton1methanol,589.288696576,PULWZCUZNRVAHT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum jaluense,549539.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum jaluense'],6,0,6.0 154012,6940,-1,,,,0.0,MS1_match,PULWZCUZNRVAHT-VBUZYTKISA-N,"InChI=1S/C31H43NO10/c1-32-13-28(14-38-2)17(33)11-18(39-3)30-16-12-29(36)25(42-27(35)15-9-7-6-8-10-15)19(16)31(37,24(34)26(29)41-5)20(23(30)32)21(40-4)22(28)30/h6-10,16-26,33-34,36-37H,11-14H2,1-5H3/t16?,17-,18+,19-,20?,21+,22-,23-,24+,25-,26+,28+,29?,30+,31-/m1/s1",COC[C@]12CN(C)[C@@H]3C4[C@H](OC)[C@H]1[C@]3(C1CC3(O)[C@H](OC(=O)c5ccccc5)[C@@H]1[C@]4(O)[C@@H](O)[C@@H]3OC)[C@@H](OC)C[C@H]2O,C31H43NO10,pos_1_1proton1methanol,589.288696576,PULWZCUZNRVAHT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum carmichaelii,549536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum carmichaelii'],6,0,6.0 154013,6940,-1,,,,0.0,MS1_match,YTEHIGWZSLFXJT-BHESEAIESA-N,"InChI=1S/C31H43NO10/c1-5-32-14-27(15-39-2)20(33)10-22(41-4)31-18-11-29(37)21(34)13-28(36,19(24(31)32)12-30(27,31)38)23(18)25(29)42-26(35)16-6-8-17(40-3)9-7-16/h6-9,18-25,33-34,36-38H,5,10-15H2,1-4H3/t18-,19-,20+,21-,22-,23-,24+,25+,27-,28+,29+,30-,31+/m0/s1",CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@@]34[C@H]5C[C@]6(O)[C@H](OC(=O)c7ccc(OC)cc7)[C@H]5[C@@](O)(C[C@@H]6O)[C@@H](C[C@]23O)[C@@H]14,C31H43NO10,pos_1_1proton1methanol,589.288696576,YTEHIGWZSLFXJT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum hemsleyanum var. circinatum,97183.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum hemsleyanum'],6,0,6.0 153993,6938,204,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.2759786,ISDB,DKVQOAMBVKKPAM-MDZDMXLPSA-N,"InChI=1S/C13H16O/c1-4-13(2,3)10-9-11-5-7-12(14)8-6-11/h4-10,14H,1H2,2-3H3/b10-9+",C=CC(C)(C)/C=C/c1ccc(O)cc1,C13H16O,,188.120115132,DKVQOAMBVKKPAM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cullen corylifolia,541330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Psoraleeae'],['Cullen'],['Cullen corylifolium'],4,3,6.603914380073547 153994,6938,204,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.2759786,ISDB,DKVQOAMBVKKPAM-MDZDMXLPSA-N,"InChI=1S/C13H16O/c1-4-13(2,3)10-9-11-5-7-12(14)8-6-11/h4-10,14H,1H2,2-3H3/b10-9+",C=CC(C)(C)/C=C/c1ccc(O)cc1,C13H16O,,188.120115132,DKVQOAMBVKKPAM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cullen corylifolium,541330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Psoraleeae'],['Cullen'],['Cullen corylifolium'],4,3,6.603914380073547 153980,6935,169,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,KZNWWOXBZGCGSK-UHFFFAOYSA-N,"InChI=1S/C11H10O3/c1-13-5-9-6-14-7-11-8(4-12)2-3-10(9)11/h2-4,6-7H,5H2,1H3",COCc1cocc2c(C=O)ccc1-2,C11H10O3,pos_1_1proton1ammonium,190.06299418,KZNWWOXBZGCGSK,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,3,7.5 153972,6934,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.810908,ISDB,GGGSEBXTKMTNBW-CQSZACIVSA-N,"InChI=1S/C16H17NO2/c18-15-9-12-6-7-17-14(13(12)10-16(15)19)8-11-4-2-1-3-5-11/h1-5,9-10,14,17-19H,6-8H2/t14-/m1/s1",Oc1cc2c(cc1O)[C@@H](Cc1ccccc1)NCC2,C16H17NO2,,255.125928784,GGGSEBXTKMTNBW,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Portulaca oleracea,883494.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Portulacaceae'],['Unknown'],['Portulaca'],['Portulaca oleracea'],4,0,7.243632078170776 153969,6932,1223,Terpenoids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,WRYLYDPHFGVWKC-UHFFFAOYSA-N,"InChI=1S/C10H18O/c1-8(2)10(11)6-4-9(3)5-7-10/h4,8,11H,5-7H2,1-3H3",CC1=CCC(O)(C(C)C)CC1,C10H18O,pos_1_1proton1acetonitrile,154.135765196,WRYLYDPHFGVWKC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Nigella sativa,142360.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Nigelleae'],['Nigella'],['Nigella sativa'],6,1,6.5 153970,6932,1223,Terpenoids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,CDOSHBSSFJOMGT-UHFFFAOYSA-N,"InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3",C=CC(C)(O)CCC=C(C)C,C10H18O,pos_1_1proton1acetonitrile,154.135765196,CDOSHBSSFJOMGT,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Actaea simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],6,1,6.5 153971,6932,1223,Terpenoids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,CDOSHBSSFJOMGT-UHFFFAOYSA-N,"InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3",C=CC(C)(O)CCC=C(C)C,C10H18O,pos_1_1proton1acetonitrile,154.135765196,CDOSHBSSFJOMGT,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Cimicifuga simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],6,1,6.5 153967,6931,-1,,,,0.0,MS1_match,AAKYADOUWNFWOI-SNXGJFJPSA-N,"InChI=1S/C20H26O3/c1-11(21)14-5-6-16-15-4-3-12-9-13(22)7-8-20(12,2)17(15)10-18(23)19(14)16/h3,13-15,17,22H,4-10H2,1-2H3/t13-,14+,15-,17+,20-/m0/s1",CC(=O)[C@H]1CCC2=C1C(=O)C[C@@H]1[C@H]2CC=C2C[C@@H](O)CC[C@@]21C,C20H26O3,pos_1_1proton1ammonium,314.188194692,AAKYADOUWNFWOI,Terpenoids,Steroids,Pregnane steroids,Adonis amurensis,243850.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Adonideae'],['Adonis'],['Adonis amurensis'],6,0,6.0 153968,6931,-1,,,,0.0,MS1_match,XNFQUGPVHYJHHZ-PMCSWTMGSA-N,"InChI=1S/C20H29NO3/c1-9-5-19-4-3-11-18(2)6-10(22)7-20(11)16(19)15(24)12(9)14(23)13(19)17(20)21-8-18/h10-17,21-24H,1,3-8H2,2H3/t10-,11+,12-,13+,14+,15+,16+,17+,18-,19+,20-/m0/s1",C=C1C[C@]23CC[C@@H]4[C@]5(C)CN[C@@H]6[C@H]2[C@H](O)[C@H]1[C@@H](O)[C@H]3[C@@]64C[C@@H](O)C5,C20H29NO3,pos_1_1proton,331.214743788,XNFQUGPVHYJHHZ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium peregrinum,885398.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium peregrinum'],6,0,6.0 153963,6930,7,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.0,MS1_match,ZNCHZFFUPFZQEP-IBGZPJMESA-N,"InChI=1S/C19H25NO/c1-11(2)17-14-7-13-12(3)8-18(4,5)20-15(13)9-19(14,6)10-16(17)21/h7-8,11H,9-10H2,1-6H3/t19-/m0/s1",CC1=CC(C)(C)N=C2C[C@@]3(C)CC(=O)C(C(C)C)=C3C=C12,C19H25NO,pos_2MHNH3,283.19361442,ZNCHZFFUPFZQEP,Terpenoids,Diterpenoids,,Nigella glandulifera,5737891.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Nigelleae'],['Nigella'],['Nigella glandulifera'],6,1,6.5 153964,6930,7,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.0,MS1_match,ZNCHZFFUPFZQEP-IBGZPJMESA-N,"InChI=1S/C19H25NO/c1-11(2)17-14-7-13-12(3)8-18(4,5)20-15(13)9-19(14,6)10-16(17)21/h7-8,11H,9-10H2,1-6H3/t19-/m0/s1",CC1=CC(C)(C)N=C2C[C@@]3(C)CC(=O)C(C(C)C)=C3C=C12,C19H25NO,pos_2MHNH3,283.19361442,ZNCHZFFUPFZQEP,Terpenoids,Diterpenoids,,Nigella sativa,142360.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Nigelleae'],['Nigella'],['Nigella sativa'],6,1,6.5 153965,6930,7,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.0,MS1_match,ZLLJDNGQDGFFLK-IBGZPJMESA-N,"InChI=1S/C19H25NO/c1-11(2)13-7-14-17-12(3)8-18(4,5)20-15(17)9-19(14,6)10-16(13)21/h7-8,11H,9-10H2,1-6H3/t19-/m0/s1",CC1=CC(C)(C)N=C2C[C@@]3(C)CC(=O)C(C(C)C)=CC3=C12,C19H25NO,pos_2MHNH3,283.19361442,ZLLJDNGQDGFFLK,Terpenoids,Diterpenoids,,Nigella glandulifera,5737891.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Nigelleae'],['Nigella'],['Nigella glandulifera'],6,1,6.5 153966,6930,7,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.0,MS1_match,ZLLJDNGQDGFFLK-IBGZPJMESA-N,"InChI=1S/C19H25NO/c1-11(2)13-7-14-17-12(3)8-18(4,5)20-15(17)9-19(14,6)10-16(13)21/h7-8,11H,9-10H2,1-6H3/t19-/m0/s1",CC1=CC(C)(C)N=C2C[C@@]3(C)CC(=O)C(C(C)C)=CC3=C12,C19H25NO,pos_2MHNH3,283.19361442,ZLLJDNGQDGFFLK,Terpenoids,Diterpenoids,,Nigella sativa,142360.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Nigelleae'],['Nigella'],['Nigella sativa'],6,1,6.5 153954,6929,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,WQSDYZZEIBAPIN-VBQORRLJSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+/t10-,12-,13+,14-,15+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O9,pos_1_sodium,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis tashiroi,21287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tashiroi'],8,0,8.0 153955,6929,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,WQSDYZZEIBAPIN-VBQORRLJSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+/t10-,12-,13+,14-,15+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O9,pos_1_sodium,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis tashiroi,21287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tashiroi'],8,0,8.0 153956,6929,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,WQSDYZZEIBAPIN-VBQORRLJSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+/t10-,12-,13+,14-,15+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O9,pos_1_sodium,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis tashiroi,21287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tashiroi'],8,0,8.0 153957,6929,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,OHEYCHKLBCPRLZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(24-10)23-9-3-1-7(5-8(9)17)2-4-11(18)19/h1-5,10,12-17,20-22H,6H2,(H,18,19)/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1,C15H18O9,pos_1_sodium,342.09508215599993,OHEYCHKLBCPRLZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis tashiroi,21287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tashiroi'],8,0,8.0 153958,6929,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,OHEYCHKLBCPRLZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(24-10)23-9-3-1-7(5-8(9)17)2-4-11(18)19/h1-5,10,12-17,20-22H,6H2,(H,18,19)/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1,C15H18O9,pos_1_sodium,342.09508215599993,OHEYCHKLBCPRLZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis tashiroi,21287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tashiroi'],8,0,8.0 153959,6929,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,OHEYCHKLBCPRLZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(24-10)23-9-3-1-7(5-8(9)17)2-4-11(18)19/h1-5,10,12-17,20-22H,6H2,(H,18,19)/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1,C15H18O9,pos_1_sodium,342.09508215599993,OHEYCHKLBCPRLZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis tashiroi,21287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tashiroi'],8,0,8.0 153960,6929,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,JVVFTHAOTNXPOZ-SSLCBRODSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_sodium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis tashiroi,21287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tashiroi'],8,0,8.0 153961,6929,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,JVVFTHAOTNXPOZ-SSLCBRODSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_sodium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis tashiroi,21287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tashiroi'],8,0,8.0 153962,6929,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,NEVMWOQJRSZYIC-UUANRDTJSA-N,"InChI=1S/C30H36O18/c1-39-13-5-11-6-14(40-2)25(13)47-29-23(35)21(33)19(31)17(45-29)10-44-28(38)12-7-15(41-3)26(16(8-12)42-4)48-30-24(36)22(34)20(32)18(46-30)9-43-27(11)37/h5-8,17-24,29-36H,9-10H2,1-4H3/t17-,18-,19-,20-,21+,22+,23-,24-,29+,30+/m1/s1",COc1cc2cc(OC)c1O[C@@H]1O[C@H](COC(=O)c3cc(OC)c(c(OC)c3)O[C@@H]3O[C@H](COC2=O)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]1O,C30H36O18,pos_2_2sodium,684.190164312,NEVMWOQJRSZYIC,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Clematis hexapetala,226633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis hexapetala'],8,0,8.0 153946,6928,-1,,,,0.0,MS1_match,WQSDYZZEIBAPIN-VBQORRLJSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+/t10-,12-,13+,14-,15+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O9,pos_1_1proton1ammonium,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis tashiroi,21287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tashiroi'],8,0,8.0 153947,6928,-1,,,,0.0,MS1_match,WQSDYZZEIBAPIN-VBQORRLJSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+/t10-,12-,13+,14-,15+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O9,pos_1_1proton1ammonium,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis tashiroi,21287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tashiroi'],8,0,8.0 153948,6928,-1,,,,0.0,MS1_match,WQSDYZZEIBAPIN-VBQORRLJSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+/t10-,12-,13+,14-,15+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O9,pos_1_1proton1ammonium,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis tashiroi,21287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tashiroi'],8,0,8.0 153949,6928,-1,,,,0.0,MS1_match,OHEYCHKLBCPRLZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(24-10)23-9-3-1-7(5-8(9)17)2-4-11(18)19/h1-5,10,12-17,20-22H,6H2,(H,18,19)/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1,C15H18O9,pos_1_1proton1ammonium,342.09508215599993,OHEYCHKLBCPRLZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis tashiroi,21287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tashiroi'],8,0,8.0 153950,6928,-1,,,,0.0,MS1_match,OHEYCHKLBCPRLZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(24-10)23-9-3-1-7(5-8(9)17)2-4-11(18)19/h1-5,10,12-17,20-22H,6H2,(H,18,19)/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1,C15H18O9,pos_1_1proton1ammonium,342.09508215599993,OHEYCHKLBCPRLZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis tashiroi,21287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tashiroi'],8,0,8.0 153951,6928,-1,,,,0.0,MS1_match,OHEYCHKLBCPRLZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(24-10)23-9-3-1-7(5-8(9)17)2-4-11(18)19/h1-5,10,12-17,20-22H,6H2,(H,18,19)/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1,C15H18O9,pos_1_1proton1ammonium,342.09508215599993,OHEYCHKLBCPRLZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis tashiroi,21287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tashiroi'],8,0,8.0 153952,6928,-1,,,,0.0,MS1_match,JVVFTHAOTNXPOZ-SSLCBRODSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1proton1ammonium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis tashiroi,21287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tashiroi'],8,0,8.0 153953,6928,-1,,,,0.0,MS1_match,JVVFTHAOTNXPOZ-SSLCBRODSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1proton1ammonium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis tashiroi,21287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tashiroi'],8,0,8.0 153814,6927,-1,,,,0.653333,ISDB,TVHXKPMFCYEQTM-SGTUEMJUSA-N,"InChI=1S/C18H30O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h4-5,8,11,16-17H,2-3,6-7,9-10,12-15H2,1H3,(H,19,20)/b5-4-,11-8-/t16-,17-/m1/s1",CCCCC[C@H]1O[C@@H]1C/C=C\C/C=C\CCCCC(=O)O,C18H30O3,,294.21949482,TVHXKPMFCYEQTM,Fatty acids,Fatty Acids and Conjugates,Epoxy fatty acids,Colocasia antiquorum,905242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Alismatales'],['Araceae'],['Colocasieae'],['Colocasia'],['Colocasia antiquorum'],4,0,6.613332033157349 153815,6927,-1,,,,0.653333,ISDB,TVHXKPMFCYEQTM-SGTUEMJUSA-N,"InChI=1S/C18H30O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h4-5,8,11,16-17H,2-3,6-7,9-10,12-15H2,1H3,(H,19,20)/b5-4-,11-8-/t16-,17-/m1/s1",CCCCC[C@H]1O[C@@H]1C/C=C\C/C=C\CCCCC(=O)O,C18H30O3,,294.21949482,TVHXKPMFCYEQTM,Fatty acids,Fatty Acids and Conjugates,Epoxy fatty acids,Colocasia esculenta,1008203.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Alismatales'],['Araceae'],['Colocasieae'],['Colocasia'],['Colocasia esculenta'],4,0,6.613332033157349 153809,6925,65,Alkaloids,Lysine alkaloids,N-acyl amines,0.2586921,ISDB,,,,,,,JSKFFGMODSNXFS,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.0347683429718018 153807,6924,72,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.42271852,ISDB,WBWMANUPDBBHGO-YYWYGQEZSA-N,"InChI=1S/C18H37NO5/c20-12-8-10-14(22)9-6-4-2-1-3-5-7-11-15-17(23)18(24)16(13-21)19-15/h14-24H,1-13H2/t14-,15+,16+,17+,18+/m0/s1",OCCC[C@@H](O)CCCCCCCCC[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O,C18H37NO5,,347.267173284,WBWMANUPDBBHGO,Alkaloids,Ornithine alkaloids,Pyrrolidine alkaloids,Broussonetia kazinoki,734176.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Broussonetia'],['Broussonetia kazinoki'],4,0,5.690874099731445 153808,6924,72,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.42271852,ISDB,WBWMANUPDBBHGO-UHFFFAOYSA-N,"InChI=1S/C18H37NO5/c20-12-8-10-14(22)9-6-4-2-1-3-5-7-11-15-17(23)18(24)16(13-21)19-15/h14-24H,1-13H2",OCCCC(O)CCCCCCCCCC1NC(CO)C(O)C1O,C18H37NO5,,347.267173284,WBWMANUPDBBHGO,Alkaloids,Ornithine alkaloids,Pyrrolidine alkaloids,Broussonetia papyrifera,311274.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Broussonetia'],['Broussonetia papyrifera'],4,0,5.690874099731445 153782,6922,398,Terpenoids,Steroids,Spirostane steroids,0.5214306,ISDB,WEHSXCOPWFFJPK-FUPJEDBSSA-N,"InChI=1S/C35H58O11/c1-19-30(38)26(42-6)17-29(43-19)46-31-20(2)44-28(16-25(31)36)45-22-9-11-32(3)21(15-22)7-8-24-23(32)10-12-33(4)34(24,39)13-14-35(33,40)27(37)18-41-5/h7,19-20,22-31,36-40H,8-18H2,1-6H3/t19-,20-,22+,23+,24-,25+,26+,27+,28+,29+,30-,31-,32+,33+,34+,35-/m1/s1",COC[C@H](O)[C@]1(O)CC[C@]2(O)[C@@H]3CC=C4C[C@@H](O[C@H]5C[C@H](O)[C@H](O[C@H]6C[C@H](OC)[C@H](O)[C@@H](C)O6)[C@@H](C)O5)CC[C@]4(C)[C@H]3CC[C@]12C,C35H58O11,,654.397912676,WEHSXCOPWFFJPK,Terpenoids,Steroids,Pregnane steroids,Periploca sepium,780215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Unknown'],['Periploca'],['Periploca sepium'],4,2,7.08572244644165 153776,6921,565,Terpenoids,Monoterpenoids,Furofuranoid lignans,0.0,MS1_match,DRAPQDCEBKBPQE-ACFZRETJSA-N,"InChI=1S/C26H32O12/c1-33-17-7-12(3-5-15(17)28)23-14-10-35-24(13-4-6-16(29)18(8-13)34-2)26(14,11-36-23)38-25-22(32)21(31)20(30)19(9-27)37-25/h3-8,14,19-25,27-32H,9-11H2,1-2H3/t14-,19-,20-,21+,22-,23-,24-,25+,26-/m1/s1",COc1cc([C@H]2OC[C@]3(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](c4ccc(O)c(OC)c4)OC[C@H]23)ccc1O,C26H32O12,pos_2_2proton2acetonitrile,536.1893764639999,DRAPQDCEBKBPQE,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,3,7.5 153777,6921,565,Terpenoids,Monoterpenoids,Furofuranoid lignans,0.0,MS1_match,ORRYWOBRSQRASU-UHFFFAOYSA-N,"InChI=1S/C26H32O12/c1-33-17-7-12(3-5-15(17)28)23-14-10-35-24(26(14,32)11-36-23)13-4-6-16(18(8-13)34-2)37-25-22(31)21(30)20(29)19(9-27)38-25/h3-8,14,19-25,27-32H,9-11H2,1-2H3",COc1cc(C2OCC3(O)C(c4ccc(OC5OC(CO)C(O)C(O)C5O)c(OC)c4)OCC23)ccc1O,C26H32O12,pos_2_2proton2acetonitrile,536.189376464,ORRYWOBRSQRASU,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,3,7.5 153778,6921,565,Terpenoids,Monoterpenoids,Furofuranoid lignans,0.0,MS1_match,ORRYWOBRSQRASU-UHFFFAOYSA-N,"InChI=1S/C26H32O12/c1-33-17-7-12(3-5-15(17)28)23-14-10-35-24(26(14,32)11-36-23)13-4-6-16(18(8-13)34-2)37-25-22(31)21(30)20(29)19(9-27)38-25/h3-8,14,19-25,27-32H,9-11H2,1-2H3",COc1cc(C2OCC3(O)C(c4ccc(OC5OC(CO)C(O)C(O)C5O)c(OC)c4)OCC23)ccc1O,C26H32O12,pos_2_2proton2acetonitrile,536.189376464,ORRYWOBRSQRASU,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,3,7.5 153779,6921,565,Terpenoids,Monoterpenoids,Furofuranoid lignans,0.0,MS1_match,GQLQVPZSTWXDBQ-ZOKOZUFBSA-N,"InChI=1S/C26H32O12/c1-33-17-8-13(3-5-15(17)28)24-26(32)11-36-23(14(26)10-35-24)12-4-6-16(18(7-12)34-2)37-25-22(31)21(30)20(29)19(9-27)38-25/h3-8,14,19-25,27-32H,9-11H2,1-2H3/t14-,19-,20-,21+,22-,23-,24-,25-,26-/m1/s1",COc1cc([C@H]2OC[C@@H]3[C@@H](c4ccc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)c(OC)c4)OC[C@]23O)ccc1O,C26H32O12,pos_2_2proton2acetonitrile,536.1893764639998,GQLQVPZSTWXDBQ,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Valeriana prionophylla,526653.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana prionophylla'],6,3,7.5 153780,6921,565,Terpenoids,Monoterpenoids,Furofuranoid lignans,0.0,MS1_match,KPZWNZOLVDRTMM-YRDWWIAGSA-N,"InChI=1S/C26H32O12/c1-33-18-8-13(3-5-16(18)28)23-26(32)11-36-22(15(26)10-35-23)12-4-6-17(19(7-12)34-2)37-25-14(9-27)20(29)21(30)24(31)38-25/h3-8,14-15,20-25,27-32H,9-11H2,1-2H3/t14-,15-,20-,21+,22-,23-,24+,25+,26-/m1/s1",COc1cc([C@H]2OC[C@@H]3[C@@H](c4ccc(O[C@H]5O[C@H](O)[C@@H](O)[C@H](O)[C@H]5CO)c(OC)c4)OC[C@]23O)ccc1O,C26H32O12,pos_2_2proton2acetonitrile,536.189376464,KPZWNZOLVDRTMM,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Valeriana prionophylla,526653.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana prionophylla'],6,3,7.5 153769,6920,-1,,,,0.36771238,ISDB,DUYJLWRTVAWXTP-ODSQUGJNSA-N,"InChI=1S/C26H38O10/c1-11-12-7-13(28)20-24(2)5-4-6-25(3,15(24)8-16(29)26(20,9-12)21(11)33)23(34)36-22-19(32)18(31)17(30)14(10-27)35-22/h12-20,22,27-32H,1,4-10H2,2-3H3/t12-,13+,14-,15+,16-,17-,18+,19-,20+,22+,24-,25-,26+/m1/s1",C=C1C(=O)[C@]23C[C@H]1C[C@H](O)[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1C[C@H]3O,C26H38O10,,510.246497416,DUYJLWRTVAWXTP,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Hyalis argentea,317671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Hyalideae'],['Hyalis'],['Hyalis argentea'],4,0,5.470849514007568 153768,6918,-1,,,,0.0,MS1_match,GSNDZNARAOJCNA-OFJSOFFBSA-N,"InChI=1S/C23H29NO3/c1-13-18-6-7-19-17-5-4-15-10-16(26)8-9-22(15,3)21(17)20(27-14(2)25)11-23(18,19)12-24-13/h8-10,17,19-21,24H,4-7,11-12H2,1-3H3/t17?,19?,20-,21-,22?,23?/m1/s1",CC(=O)O[C@@H]1CC23CNC(C)=C2CCC3C2CCC3=CC(=O)C=CC3(C)[C@H]21,C23H29NO3,pos_2MK,367.214743788,GSNDZNARAOJCNA,Terpenoids,,,Delphinium occidentale,3944974.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium occidentale'],6,0,6.0 153763,6915,-1,,,,0.0,MS1_match,GKIYZDZSEWNEIQ-IKLCLHKNSA-N,"InChI=1S/C32H45NO9/c1-6-33-16-28(17-38-2)12-11-22(40-4)32-20-13-30(36)23(41-5)15-29(35,21(25(32)33)14-31(28,32)37)24(20)26(30)42-27(34)18-7-9-19(39-3)10-8-18/h7-10,20-26,35-37H,6,11-17H2,1-5H3/t20-,21+,22+,23+,24-,25-,26-,28+,29+,30+,31+,32-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@]6(O)[C@@H](OC)C[C@@](O)([C@H]5[C@H]6OC(=O)c5ccc(OC)cc5)[C@@H](C[C@]23O)[C@@H]14,C32H45NO9,pos_1_1proton1methanol,587.30943202,GKIYZDZSEWNEIQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum hemsleyanum,511674.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum hemsleyanum'],6,0,6.0 153764,6915,-1,,,,0.0,MS1_match,WCJLKJORIRSXRT-QJPGOXMJSA-N,"InChI=1S/C32H45NO9/c1-6-33-15-29(16-38-2)19(34)12-20(39-3)32-18-13-30(36)21(40-4)14-31(37,23(26(32)33)24(41-5)25(29)32)22(18)27(30)42-28(35)17-10-8-7-9-11-17/h7-11,18-27,34,36-37H,6,12-16H2,1-5H3/t18-,19-,20+,21+,22-,23+,24+,25-,26-,27-,29+,30+,31-,32+/m1/s1",CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@@]34[C@@H]5C[C@]6(O)[C@@H](OC)C[C@@](O)([C@H]5[C@H]6OC(=O)c5ccccc5)[C@@H]([C@H](OC)[C@H]23)[C@@H]14,C32H45NO9,pos_1_1proton1methanol,587.30943202,WCJLKJORIRSXRT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum lethale,6131432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum lethale'],6,0,6.0 153765,6915,-1,,,,0.0,MS1_match,WCJLKJORIRSXRT-QJPGOXMJSA-N,"InChI=1S/C32H45NO9/c1-6-33-15-29(16-38-2)19(34)12-20(39-3)32-18-13-30(36)21(40-4)14-31(37,23(26(32)33)24(41-5)25(29)32)22(18)27(30)42-28(35)17-10-8-7-9-11-17/h7-11,18-27,34,36-37H,6,12-16H2,1-5H3/t18-,19-,20+,21+,22-,23+,24+,25-,26-,27-,29+,30+,31-,32+/m1/s1",CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@@]34[C@@H]5C[C@]6(O)[C@@H](OC)C[C@@](O)([C@H]5[C@H]6OC(=O)c5ccccc5)[C@@H]([C@H](OC)[C@H]23)[C@@H]14,C32H45NO9,pos_1_1proton1methanol,587.30943202,WCJLKJORIRSXRT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum balfourii,698586.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum balfourii'],6,0,6.0 153766,6915,-1,,,,0.0,MS1_match,ASRBVBIKKAZQBW-WUIPJRSZSA-N,"InChI=1S/C32H45NO9/c1-6-33-15-29(16-38-2)21-11-19-26(33)32(21,23(40-4)12-22(29)34)20-13-31(37)24(41-5)14-30(19,36)25(20)27(31)42-28(35)17-7-9-18(39-3)10-8-17/h7-10,19-27,34,36-37H,6,11-16H2,1-5H3/t19-,20-,21+,22-,23-,24+,25-,26+,27+,29+,30+,31+,32+/m1/s1",CCN1C[C@@]2(COC)[C@H](O)C[C@@H](OC)[C@]34[C@@H]5C[C@]6(O)[C@@H](OC)C[C@@](O)([C@H]5[C@@H]6OC(=O)c5ccc(OC)cc5)[C@H](C[C@@H]23)[C@H]14,C32H45NO9,pos_1_1proton1methanol,587.30943202,ASRBVBIKKAZQBW,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum hemsleyanum var. circinatum,97183.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum hemsleyanum'],6,0,6.0 153767,6915,-1,,,,0.0,MS1_match,YUGVPMDSXOGQHN-NRBKXCDDSA-N,"InChI=1S/C32H45NO9/c1-7-33-27-23-24(35)26-30(2,29(33)41-6)11-10-21(34)32(26,27)17-13-16-20(40-5)14-31(23,37)22(17)25(16)42-28(36)15-8-9-18(38-3)19(12-15)39-4/h8-9,12,16-17,20-27,29,34-35,37H,7,10-11,13-14H2,1-6H3/t16-,17-,20+,21+,22-,23+,24+,25+,26-,27-,29+,30-,31-,32+/m1/s1",CCN1[C@@H](OC)[C@]2(C)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](OC(=O)c7ccc(OC)c(OC)c7)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H]([C@H](O)[C@H]23)[C@@H]14,C32H45NO9,pos_1_1proton1methanol,587.3094320199999,YUGVPMDSXOGQHN,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum hemsleyanum,511674.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum hemsleyanum'],6,0,6.0 153762,6909,-1,,,,0.0,MS1_match,CBIQGHYKUKDTIF-DBOWSLRKSA-N,"InChI=1S/C52H78O25/c1-20-14-70-52(43(63)35(20)59)29(15-66-22(3)54)34-32(77-52)13-28-26-8-7-24-11-25(56)12-33(50(24,6)27(26)9-10-49(28,34)5)73-47-42(40(31(58)17-68-47)74-45-37(61)36(60)30(57)16-67-45)76-46-38(62)41(39(21(2)71-46)72-23(4)55)75-48-44(64)51(65,18-53)19-69-48/h7,21,25-48,53,56-65H,1,8-19H2,2-6H3/t21-,25+,26+,27-,28-,29-,30+,31-,32-,33+,34-,35-,36-,37+,38+,39-,40-,41-,42+,43-,44-,45-,46-,47-,48-,49-,50-,51+,52-/m0/s1",C=C1CO[C@@]2(O[C@H]3C[C@H]4[C@@H]5CC=C6C[C@@H](O)C[C@@H](O[C@@H]7OC[C@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](OC(C)=O)[C@@H](O[C@@H]8OC[C@](O)(CO)[C@H]8O)[C@H]7O)[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2COC(C)=O)[C@@H](O)[C@H]1O,C52H78O25,pos_2_2proton2acetonitrile,1102.483217996,CBIQGHYKUKDTIF,Terpenoids,Steroids,Spirostane steroids,Helleborus orientalis,648046.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Helleboreae'],['Helleborus'],['Helleborus orientalis'],6,0,6.0 153714,6908,80,Terpenoids,Tryptophan alkaloids,Carbazole alkaloids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_minus1proton2sodium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Clematis montana,970477.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis montana'],8,1,8.5 153715,6908,80,Terpenoids,Tryptophan alkaloids,Carbazole alkaloids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_minus1proton2sodium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Clematis montana,970477.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis montana'],8,1,8.5 153716,6908,80,Terpenoids,Tryptophan alkaloids,Carbazole alkaloids,0.0,MS1_match,NPJICTMALKLTFW-UHFFFAOYSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3",CCC(CCC(C)C1CCC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12C)C(C)C,C35H60O6,pos_1_minus1proton2sodium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Clematis delavayi,72769.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis delavayi'],8,1,8.5 153717,6908,80,Terpenoids,Tryptophan alkaloids,Carbazole alkaloids,0.0,MS1_match,NPJICTMALKLTFW-UHFFFAOYSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3",CCC(CCC(C)C1CCC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12C)C(C)C,C35H60O6,pos_1_minus1proton2sodium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Clematis delavayi,72769.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis delavayi'],8,1,8.5 153718,6908,80,Terpenoids,Tryptophan alkaloids,Carbazole alkaloids,0.0,MS1_match,NPJICTMALKLTFW-UHFFFAOYSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3",CCC(CCC(C)C1CCC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12C)C(C)C,C35H60O6,pos_1_minus1proton2sodium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Clematis delavayi,72769.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis delavayi'],8,1,8.5 153719,6908,80,Terpenoids,Tryptophan alkaloids,Carbazole alkaloids,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_minus1proton2sodium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Clematis montana,970477.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis montana'],8,1,8.5 153007,6903,1105,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.36571804,ISDB,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera microphylla,980075.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera microphylla'],7,3,9.96287214756012 152999,6901,166,Amino acids and Peptides,Small peptides,Dipeptides,0.57005715,ISDB,HWMGTNOVUDIKRE-UWVGGRQHSA-N,"InChI=1S/C13H16N2O5/c14-9(6-8-4-2-1-3-5-8)12(18)15-10(13(19)20)7-11(16)17/h1-5,9-10H,6-7,14H2,(H,15,18)(H,16,17)(H,19,20)/t9-,10-/m0/s1",N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)O,C13H16N2O5,,280.105921612,HWMGTNOVUDIKRE,Amino acids and Peptides,Small peptides,Dipeptides,Brassica napus,309234.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica napus'],4,3,7.780228614807129 152948,6900,28,Polyketides,Aromatic polyketides,Aromatic polyketides with side chains,0.45544448,ISDB,KQWFKXIAVOXCLU-UHFFFAOYSA-N,"InChI=1S/C22H34O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21(25)19(23)17(2)20(24)22(18)26/h6-7,23,26H,3-5,8-16H2,1-2H3",CCCCC=CCCCCCCCCCC1=C(O)C(=O)C(C)=C(O)C1=O,C22H34O4,,362.245709568,KQWFKXIAVOXCLU,Polyketides,Aromatic polyketides,Aromatic polyketides with side chains,Maesa lanceolata,607844.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Primulaceae'],['Unknown'],['Maesa'],['Maesa lanceolata'],4,3,7.321777939796448 152946,6894,-1,,,,0.47197345,ISDB,,,,,,,GAGCLMASQHYWNP,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.887893795967102 152867,6889,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-OGVVJMRYSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15+,16+,17-,18+,19-,20+,21-,22+,23+,24-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C24H39NO5,pos_1_1proton1methanol,421.2828233479999,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum sanyoense,675791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum sanyoense'],6,3,7.5 152868,6889,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-UHFFFAOYSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3",CCN1CC2(COC)CCC(OC)C34C5CC6C(OC)CC(O)(C(CC23)C14)C5C6O,C24H39NO5,pos_1_1proton1methanol,421.2828233479999,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum talassicum,5737809.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum talassicum'],6,3,7.5 152869,6889,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-FIIQKEKKSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15?,16+,17-,18+,19-,20+,21?,22+,23+,24?/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)C34C1C(C[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C24H39NO5,pos_1_1proton1methanol,421.282823348,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum nemorum,44343.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum nemorum'],6,3,7.5 152870,6889,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-QKNOXMJZSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13?,14?,15?,16-,17?,18?,19?,20?,21?,22-,23-,24?/m0/s1",CCN1C[C@]2(COC)CCC(OC)C34C5CC6C(O)C5[C@](O)(C[C@@H]6OC)C(CC32)C14,C24H39NO5,pos_1_1proton1methanol,421.282823348,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum kongboense,723190.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum kongboense'],6,3,7.5 152871,6889,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-NPNNQAKASA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15?,16+,17-,18+,19-,20+,21?,22+,23+,24-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@]34C1C(C[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C24H39NO5,pos_1_1proton1methanol,421.2828233479999,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum tanguticum,1088652.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum tanguticum'],6,3,7.5 152872,6889,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-OGVVJMRYSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15+,16+,17-,18+,19-,20+,21-,22+,23+,24-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C24H39NO5,pos_1_1proton1methanol,421.2828233479999,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum soongoricum,6131511.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum soongoricum'],6,3,7.5 152873,6889,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-OGVVJMRYSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15+,16+,17-,18+,19-,20+,21-,22+,23+,24-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C24H39NO5,pos_1_1proton1methanol,421.2828233479999,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum nagarum,488235.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum nagarum'],6,3,7.5 152874,6889,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-FIIQKEKKSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15?,16+,17-,18+,19-,20+,21?,22+,23+,24?/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)C34C1C(C[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C24H39NO5,pos_1_1proton1methanol,421.282823348,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium gueneri,6131660.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium gueneri'],6,3,7.5 152875,6889,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-UHFFFAOYSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3",CCN1CC2(COC)CCC(OC)C34C5CC6C(OC)CC(O)(C(CC23)C14)C5C6O,C24H39NO5,pos_1_1proton1methanol,421.2828233479999,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum hemsleyanum var. circinatum,97183.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum hemsleyanum'],6,3,7.5 152876,6889,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-FIIQKEKKSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15?,16+,17-,18+,19-,20+,21?,22+,23+,24?/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)C34C1C(C[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C24H39NO5,pos_1_1proton1methanol,421.282823348,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum hemsleyanum,511674.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum hemsleyanum'],6,3,7.5 152877,6889,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-FIIQKEKKSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15?,16+,17-,18+,19-,20+,21?,22+,23+,24?/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)C34C1C(C[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C24H39NO5,pos_1_1proton1methanol,421.282823348,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum jaluense,549539.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum jaluense'],6,3,7.5 152878,6889,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-FIIQKEKKSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15?,16+,17-,18+,19-,20+,21?,22+,23+,24?/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)C34C1C(C[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C24H39NO5,pos_1_1proton1methanol,421.282823348,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum dolichorhynchum,6131378.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum dolichorhynchum'],6,3,7.5 152879,6889,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-FIIQKEKKSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15?,16+,17-,18+,19-,20+,21?,22+,23+,24?/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)C34C1C(C[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C24H39NO5,pos_1_1proton1methanol,421.282823348,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum legendrei,44349.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum legendrei'],6,3,7.5 152880,6889,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-FIIQKEKKSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15?,16+,17-,18+,19-,20+,21?,22+,23+,24?/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)C34C1C(C[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C24H39NO5,pos_1_1proton1methanol,421.282823348,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum vilmorinianum,976183.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum vilmorinianum'],6,3,7.5 152881,6889,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-FIIQKEKKSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15?,16+,17-,18+,19-,20+,21?,22+,23+,24?/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)C34C1C(C[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C24H39NO5,pos_1_1proton1methanol,421.282823348,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum carmichaelii,549536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum carmichaelii'],6,3,7.5 152882,6889,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-OGVVJMRYSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15+,16+,17-,18+,19-,20+,21-,22+,23+,24-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C24H39NO5,pos_1_1proton1methanol,421.2828233479999,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum transsectum,909685.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum transsectum'],6,3,7.5 152883,6889,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-OGVVJMRYSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15+,16+,17-,18+,19-,20+,21-,22+,23+,24-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C24H39NO5,pos_1_1proton1methanol,421.2828233479999,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum cochleare,7591220.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum cochleare'],6,3,7.5 152884,6889,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-FIIQKEKKSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15?,16+,17-,18+,19-,20+,21?,22+,23+,24?/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)C34C1C(C[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C24H39NO5,pos_1_1proton1methanol,421.282823348,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum forrestii,556432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum forrestii'],6,3,7.5 152885,6889,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-OGVVJMRYSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15+,16+,17-,18+,19-,20+,21-,22+,23+,24-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C24H39NO5,pos_1_1proton1methanol,421.2828233479999,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium linearilobum,7591246.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium linearilobum'],6,3,7.5 152886,6889,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-UHFFFAOYSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3",CCN1CC2(COC)CCC(OC)C34C5CC6C(OC)CC(O)(C(CC23)C14)C5C6O,C24H39NO5,pos_1_1proton1methanol,421.2828233479999,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum kusnezoffii,141633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum kusnezoffii'],6,3,7.5 152887,6889,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-UHFFFAOYSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3",CCN1CC2(COC)CCC(OC)C34C5CC6C(OC)CC(O)(C(CC23)C14)C5C6O,C24H39NO5,pos_1_1proton1methanol,421.2828233479999,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum triphyllum,6131530.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum triphyllum'],6,3,7.5 152888,6889,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,XWDPXXKARIDOBG-YXQJRNGSSA-N,"InChI=1S/C24H39NO5/c1-6-25-11-22(2)8-7-15(29-4)24-13-9-12-14(28-3)10-23(30-5,16(13)18(12)26)17(21(24)25)19(27)20(22)24/h12-21,26-27H,6-11H2,1-5H3/t12-,13-,14+,15+,16-,17+,18+,19-,20-,21-,22+,23-,24+/m1/s1",CCN1C[C@]2(C)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](OC)(C[C@@H]6OC)[C@@H]([C@@H](O)[C@H]23)[C@@H]14,C24H39NO5,pos_1_1proton1methanol,421.282823348,XWDPXXKARIDOBG,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium davisii,6131635.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium davisii'],6,3,7.5 152889,6889,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,XWDPXXKARIDOBG-SMCICNQZSA-N,"InChI=1S/C24H39NO5/c1-6-25-11-22(2)8-7-15(29-4)24-13-9-12-14(28-3)10-23(30-5,16(13)18(12)26)17(21(24)25)19(27)20(22)24/h12-21,26-27H,6-11H2,1-5H3/t12-,13-,14+,15+,16-,17+,18+,19+,20-,21-,22+,23-,24+/m1/s1",CCN1C[C@]2(C)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](OC)(C[C@@H]6OC)[C@@H]([C@H](O)[C@H]23)[C@@H]14,C24H39NO5,pos_1_1proton1methanol,421.2828233479999,XWDPXXKARIDOBG,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium virgatum,885406.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium virgatum'],6,3,7.5 152890,6889,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,XWDPXXKARIDOBG-DPMVDKOOSA-N,"InChI=1S/C24H39NO5/c1-6-25-11-22(2)8-7-15(29-4)24-13-9-12-14(28-3)10-23(30-5,16(13)18(12)26)17(21(24)25)19(27)20(22)24/h12-21,26-27H,6-11H2,1-5H3/t12-,13-,14+,15-,16-,17-,18-,19-,20+,21+,22-,23-,24-/m1/s1",CCN1C[C@@]2(C)CC[C@@H](OC)[C@]34[C@@H]5C[C@H]6[C@@H](O)[C@@H]5[C@](OC)(C[C@@H]6OC)[C@H]([C@@H](O)[C@@H]23)[C@H]14,C24H39NO5,pos_1_1proton1methanol,421.282823348,XWDPXXKARIDOBG,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium favargeri,209870.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium favargeri'],6,3,7.5 152891,6889,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,XWDPXXKARIDOBG-SMCICNQZSA-N,"InChI=1S/C24H39NO5/c1-6-25-11-22(2)8-7-15(29-4)24-13-9-12-14(28-3)10-23(30-5,16(13)18(12)26)17(21(24)25)19(27)20(22)24/h12-21,26-27H,6-11H2,1-5H3/t12-,13-,14+,15+,16-,17+,18+,19+,20-,21-,22+,23-,24+/m1/s1",CCN1C[C@]2(C)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](OC)(C[C@@H]6OC)[C@@H]([C@H](O)[C@H]23)[C@@H]14,C24H39NO5,pos_1_1proton1methanol,421.2828233479999,XWDPXXKARIDOBG,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium peregrinum,885398.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium peregrinum'],6,3,7.5 152892,6889,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,XWDPXXKARIDOBG-SMCICNQZSA-N,"InChI=1S/C24H39NO5/c1-6-25-11-22(2)8-7-15(29-4)24-13-9-12-14(28-3)10-23(30-5,16(13)18(12)26)17(21(24)25)19(27)20(22)24/h12-21,26-27H,6-11H2,1-5H3/t12-,13-,14+,15+,16-,17+,18+,19+,20-,21-,22+,23-,24+/m1/s1",CCN1C[C@]2(C)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](OC)(C[C@@H]6OC)[C@@H]([C@H](O)[C@H]23)[C@@H]14,C24H39NO5,pos_1_1proton1methanol,421.2828233479999,XWDPXXKARIDOBG,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium gueneri,6131660.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium gueneri'],6,3,7.5 152893,6889,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,XWDPXXKARIDOBG-YXQJRNGSSA-N,"InChI=1S/C24H39NO5/c1-6-25-11-22(2)8-7-15(29-4)24-13-9-12-14(28-3)10-23(30-5,16(13)18(12)26)17(21(24)25)19(27)20(22)24/h12-21,26-27H,6-11H2,1-5H3/t12-,13-,14+,15+,16-,17+,18+,19-,20-,21-,22+,23-,24+/m1/s1",CCN1C[C@]2(C)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](OC)(C[C@@H]6OC)[C@@H]([C@@H](O)[C@H]23)[C@@H]14,C24H39NO5,pos_1_1proton1methanol,421.282823348,XWDPXXKARIDOBG,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium davisii,6131635.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium davisii'],6,3,7.5 152894,6889,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,XWDPXXKARIDOBG-SMCICNQZSA-N,"InChI=1S/C24H39NO5/c1-6-25-11-22(2)8-7-15(29-4)24-13-9-12-14(28-3)10-23(30-5,16(13)18(12)26)17(21(24)25)19(27)20(22)24/h12-21,26-27H,6-11H2,1-5H3/t12-,13-,14+,15+,16-,17+,18+,19+,20-,21-,22+,23-,24+/m1/s1",CCN1C[C@]2(C)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](OC)(C[C@@H]6OC)[C@@H]([C@H](O)[C@H]23)[C@@H]14,C24H39NO5,pos_1_1proton1methanol,421.2828233479999,XWDPXXKARIDOBG,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium virgatum,885406.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium virgatum'],6,3,7.5 152895,6889,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-UHFFFAOYSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3",CCN1CC2(COC)CCC(OC)C34C5CC6C(OC)CC(O)(C(CC23)C14)C5C6O,C24H39NO5,pos_1_1proton1methanol,421.2828233479999,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum carmichaeli,549536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum carmichaelii'],6,3,7.5 152896,6889,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,XWDPXXKARIDOBG-DPMVDKOOSA-N,"InChI=1S/C24H39NO5/c1-6-25-11-22(2)8-7-15(29-4)24-13-9-12-14(28-3)10-23(30-5,16(13)18(12)26)17(21(24)25)19(27)20(22)24/h12-21,26-27H,6-11H2,1-5H3/t12-,13-,14+,15-,16-,17-,18-,19-,20+,21+,22-,23-,24-/m1/s1",CCN1C[C@@]2(C)CC[C@@H](OC)[C@]34[C@@H]5C[C@H]6[C@@H](O)[C@@H]5[C@](OC)(C[C@@H]6OC)[C@H]([C@@H](O)[C@@H]23)[C@H]14,C24H39NO5,pos_1_1proton1methanol,421.282823348,XWDPXXKARIDOBG,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium favargeri,209870.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium favargeri'],6,3,7.5 152897,6889,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-FIIQKEKKSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15?,16+,17-,18+,19-,20+,21?,22+,23+,24?/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)C34C1C(C[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C24H39NO5,pos_1_1proton1methanol,421.282823348,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum sczukinii,7049059.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum sczukinii'],6,3,7.5 152898,6889,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-FIIQKEKKSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15?,16+,17-,18+,19-,20+,21?,22+,23+,24?/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)C34C1C(C[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C24H39NO5,pos_1_1proton1methanol,421.282823348,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum episcopale,50065.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum episcopale'],6,3,7.5 152899,6889,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-FIIQKEKKSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15?,16+,17-,18+,19-,20+,21?,22+,23+,24?/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)C34C1C(C[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C24H39NO5,pos_1_1proton1methanol,421.282823348,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum racemulosum,892121.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum racemulosum'],6,3,7.5 152900,6889,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-OGVVJMRYSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15+,16+,17-,18+,19-,20+,21-,22+,23+,24-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C24H39NO5,pos_1_1proton1methanol,421.2828233479999,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum macrorhynchum,7591226.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum macrorhynchum'],6,3,7.5 152901,6889,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-UHFFFAOYSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3",CCN1CC2(COC)CCC(OC)C34C5CC6C(OC)CC(O)(C(CC23)C14)C5C6O,C24H39NO5,pos_1_1proton1methanol,421.2828233479999,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum piepunense,384357.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum piepunense'],6,3,7.5 152902,6889,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-UHFFFAOYSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3",CCN1CC2(COC)CCC(OC)C34C5CC6C(OC)CC(O)(C(CC23)C14)C5C6O,C24H39NO5,pos_1_1proton1methanol,421.2828233479999,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum seravschanicum,395973.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum seravschanicum'],6,3,7.5 152903,6889,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-UHFFFAOYSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3",CCN1CC2(COC)CCC(OC)C34C5CC6C(OC)CC(O)(C(CC23)C14)C5C6O,C24H39NO5,pos_1_1proton1methanol,421.2828233479999,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum pseudostapfianum,1073593.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum tuguancunense'],6,3,7.5 152904,6889,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,XWDPXXKARIDOBG-SMCICNQZSA-N,"InChI=1S/C24H39NO5/c1-6-25-11-22(2)8-7-15(29-4)24-13-9-12-14(28-3)10-23(30-5,16(13)18(12)26)17(21(24)25)19(27)20(22)24/h12-21,26-27H,6-11H2,1-5H3/t12-,13-,14+,15+,16-,17+,18+,19+,20-,21-,22+,23-,24+/m1/s1",CCN1C[C@]2(C)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](OC)(C[C@@H]6OC)[C@@H]([C@H](O)[C@H]23)[C@@H]14,C24H39NO5,pos_1_1proton1methanol,421.2828233479999,XWDPXXKARIDOBG,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium peregrinum,885398.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium peregrinum'],6,3,7.5 152905,6889,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,XWDPXXKARIDOBG-SMCICNQZSA-N,"InChI=1S/C24H39NO5/c1-6-25-11-22(2)8-7-15(29-4)24-13-9-12-14(28-3)10-23(30-5,16(13)18(12)26)17(21(24)25)19(27)20(22)24/h12-21,26-27H,6-11H2,1-5H3/t12-,13-,14+,15+,16-,17+,18+,19+,20-,21-,22+,23-,24+/m1/s1",CCN1C[C@]2(C)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](OC)(C[C@@H]6OC)[C@@H]([C@H](O)[C@H]23)[C@@H]14,C24H39NO5,pos_1_1proton1methanol,421.2828233479999,XWDPXXKARIDOBG,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium gueneri,6131660.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium gueneri'],6,3,7.5 152906,6889,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-OGVVJMRYSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15+,16+,17-,18+,19-,20+,21-,22+,23+,24-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C24H39NO5,pos_1_1proton1methanol,421.2828233479999,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium crispulum,309502.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium crispulum'],6,3,7.5 152907,6889,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-FIIQKEKKSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15?,16+,17-,18+,19-,20+,21?,22+,23+,24?/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)C34C1C(C[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C24H39NO5,pos_1_1proton1methanol,421.282823348,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Gymnaconitum gymnandrum,511673.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Gymnaconitum'],['Gymnaconitum gymnandrum'],6,3,7.5 152908,6889,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-FIIQKEKKSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15?,16+,17-,18+,19-,20+,21?,22+,23+,24?/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)C34C1C(C[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C24H39NO5,pos_1_1proton1methanol,421.282823348,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium gueneri,6131660.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium gueneri'],6,3,7.5 152909,6889,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-FIIQKEKKSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15?,16+,17-,18+,19-,20+,21?,22+,23+,24?/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)C34C1C(C[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C24H39NO5,pos_1_1proton1methanol,421.282823348,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum hemsleyanum,511674.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum hemsleyanum'],6,3,7.5 152910,6889,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-FIIQKEKKSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15?,16+,17-,18+,19-,20+,21?,22+,23+,24?/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)C34C1C(C[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C24H39NO5,pos_1_1proton1methanol,421.282823348,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum forrestii,556432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum forrestii'],6,3,7.5 152911,6889,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-FIIQKEKKSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15?,16+,17-,18+,19-,20+,21?,22+,23+,24?/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)C34C1C(C[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C24H39NO5,pos_1_1proton1methanol,421.282823348,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum jaluense,549539.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum jaluense'],6,3,7.5 152912,6889,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-FIIQKEKKSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15?,16+,17-,18+,19-,20+,21?,22+,23+,24?/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)C34C1C(C[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C24H39NO5,pos_1_1proton1methanol,421.282823348,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum dolichorhynchum,6131378.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum dolichorhynchum'],6,3,7.5 152913,6889,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-FIIQKEKKSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15?,16+,17-,18+,19-,20+,21?,22+,23+,24?/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)C34C1C(C[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C24H39NO5,pos_1_1proton1methanol,421.282823348,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum legendrei,44349.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum legendrei'],6,3,7.5 152914,6889,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-FIIQKEKKSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15?,16+,17-,18+,19-,20+,21?,22+,23+,24?/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)C34C1C(C[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C24H39NO5,pos_1_1proton1methanol,421.282823348,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum vilmorinianum,976183.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum vilmorinianum'],6,3,7.5 152915,6889,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-OGVVJMRYSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15+,16+,17-,18+,19-,20+,21-,22+,23+,24-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C24H39NO5,pos_1_1proton1methanol,421.2828233479999,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum nagarum,488235.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum nagarum'],6,3,7.5 152916,6889,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-FIIQKEKKSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15?,16+,17-,18+,19-,20+,21?,22+,23+,24?/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)C34C1C(C[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C24H39NO5,pos_1_1proton1methanol,421.282823348,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum carmichaelii,549536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum carmichaelii'],6,3,7.5 152917,6889,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-OGVVJMRYSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15+,16+,17-,18+,19-,20+,21-,22+,23+,24-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C24H39NO5,pos_1_1proton1methanol,421.2828233479999,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum cochleare,7591220.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum cochleare'],6,3,7.5 152918,6889,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-OGVVJMRYSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15+,16+,17-,18+,19-,20+,21-,22+,23+,24-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C24H39NO5,pos_1_1proton1methanol,421.2828233479999,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium linearilobum,7591246.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium linearilobum'],6,3,7.5 152919,6889,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-OGVVJMRYSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15+,16+,17-,18+,19-,20+,21-,22+,23+,24-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C24H39NO5,pos_1_1proton1methanol,421.2828233479999,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium crispulum,309502.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium crispulum'],6,3,7.5 152920,6889,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-OGVVJMRYSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15+,16+,17-,18+,19-,20+,21-,22+,23+,24-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C24H39NO5,pos_1_1proton1methanol,421.2828233479999,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum columbianum,506026.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum columbianum'],6,3,7.5 152921,6889,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-FIIQKEKKSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15?,16+,17-,18+,19-,20+,21?,22+,23+,24?/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)C34C1C(C[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C24H39NO5,pos_1_1proton1methanol,421.282823348,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Gymnaconitum gymnandrum,511673.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Gymnaconitum'],['Gymnaconitum gymnandrum'],6,3,7.5 152922,6889,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-FIIQKEKKSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15?,16+,17-,18+,19-,20+,21?,22+,23+,24?/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)C34C1C(C[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C24H39NO5,pos_1_1proton1methanol,421.282823348,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum japonicum,5511352.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum japonicum'],6,3,7.5 152923,6889,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-OGVVJMRYSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15+,16+,17-,18+,19-,20+,21-,22+,23+,24-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C24H39NO5,pos_1_1proton1methanol,421.2828233479999,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum variegatum,586783.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum variegatum'],6,3,7.5 152924,6889,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-OGVVJMRYSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15+,16+,17-,18+,19-,20+,21-,22+,23+,24-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C24H39NO5,pos_1_1proton1methanol,421.2828233479999,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum transsectum,909685.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum transsectum'],6,3,7.5 152925,6889,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-OGVVJMRYSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15+,16+,17-,18+,19-,20+,21-,22+,23+,24-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C24H39NO5,pos_1_1proton1methanol,421.2828233479999,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum columbianum,506026.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum columbianum'],6,3,7.5 152926,6889,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-OGVVJMRYSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15+,16+,17-,18+,19-,20+,21-,22+,23+,24-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C24H39NO5,pos_1_1proton1methanol,421.2828233479999,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum soongoricum,6131511.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum soongoricum'],6,3,7.5 152927,6889,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-QKNOXMJZSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13?,14?,15?,16-,17?,18?,19?,20?,21?,22-,23-,24?/m0/s1",CCN1C[C@]2(COC)CCC(OC)C34C5CC6C(O)C5[C@](O)(C[C@@H]6OC)C(CC32)C14,C24H39NO5,pos_1_1proton1methanol,421.282823348,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum kongboense,723190.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum kongboense'],6,3,7.5 152928,6889,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-FIIQKEKKSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15?,16+,17-,18+,19-,20+,21?,22+,23+,24?/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)C34C1C(C[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C24H39NO5,pos_1_1proton1methanol,421.282823348,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum japonicum,5511352.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum japonicum'],6,3,7.5 152929,6889,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-OGVVJMRYSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15+,16+,17-,18+,19-,20+,21-,22+,23+,24-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C24H39NO5,pos_1_1proton1methanol,421.2828233479999,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum variegatum,586783.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum variegatum'],6,3,7.5 152930,6889,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-OGVVJMRYSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15+,16+,17-,18+,19-,20+,21-,22+,23+,24-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C24H39NO5,pos_1_1proton1methanol,421.2828233479999,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum sanyoense,675791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum sanyoense'],6,3,7.5 152931,6889,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-FIIQKEKKSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15?,16+,17-,18+,19-,20+,21?,22+,23+,24?/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)C34C1C(C[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C24H39NO5,pos_1_1proton1methanol,421.282823348,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum sczukinii,7049059.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum sczukinii'],6,3,7.5 152932,6889,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-FIIQKEKKSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15?,16+,17-,18+,19-,20+,21?,22+,23+,24?/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)C34C1C(C[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C24H39NO5,pos_1_1proton1methanol,421.282823348,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum episcopale,50065.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum episcopale'],6,3,7.5 152933,6889,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-FIIQKEKKSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15?,16+,17-,18+,19-,20+,21?,22+,23+,24?/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)C34C1C(C[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C24H39NO5,pos_1_1proton1methanol,421.282823348,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum racemulosum,892121.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum racemulosum'],6,3,7.5 152934,6889,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-OGVVJMRYSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15+,16+,17-,18+,19-,20+,21-,22+,23+,24-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C24H39NO5,pos_1_1proton1methanol,421.2828233479999,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum macrorhynchum,7591226.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum macrorhynchum'],6,3,7.5 152935,6889,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-NPNNQAKASA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15?,16+,17-,18+,19-,20+,21?,22+,23+,24-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@]34C1C(C[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C24H39NO5,pos_1_1proton1methanol,421.2828233479999,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum tanguticum,1088652.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum tanguticum'],6,3,7.5 152936,6889,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-UHFFFAOYSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3",CCN1CC2(COC)CCC(OC)C34C5CC6C(OC)CC(O)(C(CC23)C14)C5C6O,C24H39NO5,pos_1_1proton1methanol,421.2828233479999,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum piepunense,384357.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum piepunense'],6,3,7.5 152937,6889,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-UHFFFAOYSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3",CCN1CC2(COC)CCC(OC)C34C5CC6C(OC)CC(O)(C(CC23)C14)C5C6O,C24H39NO5,pos_1_1proton1methanol,421.2828233479999,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum pseudostapfianum,1073593.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum tuguancunense'],6,3,7.5 152938,6889,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-UHFFFAOYSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3",CCN1CC2(COC)CCC(OC)C34C5CC6C(OC)CC(O)(C(CC23)C14)C5C6O,C24H39NO5,pos_1_1proton1methanol,421.2828233479999,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum triphyllum,6131530.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum triphyllum'],6,3,7.5 152939,6889,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-UHFFFAOYSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3",CCN1CC2(COC)CCC(OC)C34C5CC6C(OC)CC(O)(C(CC23)C14)C5C6O,C24H39NO5,pos_1_1proton1methanol,421.2828233479999,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum carmichaeli,549536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum carmichaelii'],6,3,7.5 152940,6889,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-UHFFFAOYSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3",CCN1CC2(COC)CCC(OC)C34C5CC6C(OC)CC(O)(C(CC23)C14)C5C6O,C24H39NO5,pos_1_1proton1methanol,421.2828233479999,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum kusnezoffii,141633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum kusnezoffii'],6,3,7.5 152941,6889,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-UHFFFAOYSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3",CCN1CC2(COC)CCC(OC)C34C5CC6C(OC)CC(O)(C(CC23)C14)C5C6O,C24H39NO5,pos_1_1proton1methanol,421.2828233479999,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum hemsleyanum var. circinatum,97183.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum hemsleyanum'],6,3,7.5 152942,6889,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-UHFFFAOYSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3",CCN1CC2(COC)CCC(OC)C34C5CC6C(OC)CC(O)(C(CC23)C14)C5C6O,C24H39NO5,pos_1_1proton1methanol,421.2828233479999,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum talassicum,5737809.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum talassicum'],6,3,7.5 152943,6889,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-FIIQKEKKSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15?,16+,17-,18+,19-,20+,21?,22+,23+,24?/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)C34C1C(C[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C24H39NO5,pos_1_1proton1methanol,421.282823348,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum nemorum,44343.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum nemorum'],6,3,7.5 152944,6889,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,BDCURAWBZJMFIK-UHFFFAOYSA-N,"InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3",CCN1CC2(COC)CCC(OC)C34C5CC6C(OC)CC(O)(C(CC23)C14)C5C6O,C24H39NO5,pos_1_1proton1methanol,421.2828233479999,BDCURAWBZJMFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum seravschanicum,395973.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum seravschanicum'],6,3,7.5 152945,6889,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,FEOORLCKDHTOCS-SMCICNQZSA-N,"InChI=1S/C24H39NO5/c1-6-25-11-22(2)8-7-15(29-4)24-13-9-12-14(28-3)10-23(27,16(13)18(12)26)17(21(24)25)19(30-5)20(22)24/h12-21,26-27H,6-11H2,1-5H3/t12-,13-,14+,15+,16-,17+,18+,19+,20-,21-,22+,23-,24+/m1/s1",CCN1C[C@]2(C)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H]([C@H](OC)[C@H]23)[C@@H]14,C24H39NO5,pos_1_1proton1methanol,421.2828233479999,FEOORLCKDHTOCS,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium roylei,6131791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium roylei'],6,3,7.5 152863,6882,104,Amino acids and Peptides,Small peptides,Dipeptides,0.0,MS1_match,WYJTXYYWNRUUBH-DTWKUNHWSA-N,"InChI=1S/C10H14N2O3/c1-14-10(13)8-4-6-15-9(12-8)7-3-2-5-11-7/h2-3,5,8-9,11-12H,4,6H2,1H3/t8-,9+/m0/s1",COC(=O)[C@@H]1CCO[C@H](c2ccc[nH]2)N1,C10H14N2O3,pos_1_1proton1methanol,210.100442308,WYJTXYYWNRUUBH,Alkaloids,,,Celastrus angulatus,709269.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Celastrus'],['Celastrus angulatus'],6,0,6.0 152857,6879,-1,,,,0.0,MS1_match,RIXNFYQZWDGQAE-WVFFYYHBSA-N,"InChI=1S/C32H50O4/c1-20(33)36-25-12-13-29(6)23(28(25,4)5)11-14-31(8)24(29)10-9-21-22-19-27(2,3)15-17-32(22,26(34)35)18-16-30(21,31)7/h9,22-25H,10-19H2,1-8H3,(H,34,35)/t22?,23-,24?,25?,29?,30?,31?,32?/m0/s1",CC(=O)OC1CCC2(C)C3CC=C4C5CC(C)(C)CCC5(C(=O)O)CCC4(C)C3(C)CC[C@H]2C1(C)C,C32H50O4,pos_1_1proton1ammonium,498.37091008,RIXNFYQZWDGQAE,Terpenoids,Triterpenoids,Oleanane triterpenoids,Anemone raddeana,889147.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Anemone'],['Anemone raddeana'],7,0,7.0 152858,6879,-1,,,,0.0,MS1_match,RIXNFYQZWDGQAE-WVFFYYHBSA-N,"InChI=1S/C32H50O4/c1-20(33)36-25-12-13-29(6)23(28(25,4)5)11-14-31(8)24(29)10-9-21-22-19-27(2,3)15-17-32(22,26(34)35)18-16-30(21,31)7/h9,22-25H,10-19H2,1-8H3,(H,34,35)/t22?,23-,24?,25?,29?,30?,31?,32?/m0/s1",CC(=O)OC1CCC2(C)C3CC=C4C5CC(C)(C)CCC5(C(=O)O)CCC4(C)C3(C)CC[C@H]2C1(C)C,C32H50O4,pos_1_1proton1ammonium,498.37091008,RIXNFYQZWDGQAE,Terpenoids,Triterpenoids,Oleanane triterpenoids,Anemone raddeana,889147.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Anemone'],['Anemone raddeana'],7,0,7.0 152856,6876,-1,,,,0.0,MS1_match,FOIIZKLTJIQQGX-UHFFFAOYSA-N,"InChI=1S/C27H31NO6/c1-11-8-26-9-13-19-25(2)10-14(34-23(32)12-6-4-3-5-7-12)22(31)27(19)20(26)18(30)15(11)17(29)16(26)21(27)28(13)24(25)33/h3-7,13-22,24,29-31,33H,1,8-10H2,2H3",C=C1CC23CC4C5C6(C)CC(OC(=O)c7ccccc7)C(O)C57C(C2C(O)C1C(O)C37)N4C6O,C27H31NO6,pos_1_1proton2acetonitrile,465.215137712,FOIIZKLTJIQQGX,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium grandiflorum,1004833.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium grandiflorum'],6,0,6.0 152680,6869,-1,,,,0.0,MS1_match,YPZQHCLBLRWNMJ-OPRDCNLKSA-N,"InChI=1S/C10H16O2/c1-4-10(3)6-5-9(12-10)8(2)7-11/h4,7-9H,1,5-6H2,2-3H3/t8-,9-,10-/m1/s1",C=C[C@]1(C)CC[C@H]([C@H](C)C=O)O1,C10H16O2,pos_2MH,168.115029752,YPZQHCLBLRWNMJ,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 152678,6867,-1,,,,0.0,MS1_match,KVSQIVFQSWVUGM-GHADIOTFSA-N,"InChI=1S/C21H36O8/c1-9-5-12(23)15-10(9)6-11-13(7-21(15,4)29-20(11,2)3)27-19-18(26)17(25)16(24)14(8-22)28-19/h9-19,22-26H,5-8H2,1-4H3/t9-,10-,11+,12-,13+,14-,15+,16-,17+,18-,19+,21+/m1/s1",C[C@@H]1C[C@@H](O)[C@@H]2[C@@H]1C[C@H]1[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C[C@]2(C)OC1(C)C,C21H36O8,pos_1_1proton1methanol,416.241018112,KVSQIVFQSWVUGM,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 152679,6867,-1,,,,0.0,MS1_match,KVSQIVFQSWVUGM-GHADIOTFSA-N,"InChI=1S/C21H36O8/c1-9-5-12(23)15-10(9)6-11-13(7-21(15,4)29-20(11,2)3)27-19-18(26)17(25)16(24)14(8-22)28-19/h9-19,22-26H,5-8H2,1-4H3/t9-,10-,11+,12-,13+,14-,15+,16-,17+,18-,19+,21+/m1/s1",C[C@@H]1C[C@@H](O)[C@@H]2[C@@H]1C[C@H]1[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C[C@]2(C)OC1(C)C,C21H36O8,pos_1_1proton1methanol,416.241018112,KVSQIVFQSWVUGM,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Valeriana fauriei,228778.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana fauriei'],6,0,6.0 152661,6864,-1,,,,0.45385212,ISDB,FDQQJDSRVSMJPR-LVMULPTPSA-N,"InChI=1S/C31H46O3/c1-19(32)34-26-13-15-29(6)24(28(26,4)5)12-16-30(7)25(29)10-9-22-21-17-27(2,3)14-11-20(21)23(33)18-31(22,30)8/h9,24-26H,10-18H2,1-8H3/t24-,25+,26-,29-,30+,31+/m0/s1",CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC=C4C5=C(CCC(C)(C)C5)C(=O)C[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C,C31H46O3,,466.344695332,FDQQJDSRVSMJPR,Terpenoids,Triterpenoids,Serratane triterpenoids,Marah macrocarpa,1066437.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cucurbitales'],['Cucurbitaceae'],['Sicyoeae'],['Marah'],['Marah macrocarpa'],4,0,5.81540846824646 152635,6863,-1,,,,0.43223363,ISDB,ZWFSQWLYDLATHD-RFXBSOHPSA-N,"InChI=1S/C21H27NO6/c1-10-8-15(26-18(10)23)14-4-5-16-21(9-11(2)19(24)28-21)7-6-13-12(3)20(25)27-17(13)22(14)16/h10-11,14-17H,4-9H2,1-3H3/t10-,11+,14-,15-,16-,17-,21-/m0/s1",CC1=C2CC[C@]3(C[C@@H](C)C(=O)O3)[C@@H]3CC[C@@H]([C@@H]4C[C@H](C)C(=O)O4)N3[C@H]2OC1=O,C21H27NO6,,389.183837584,ZWFSQWLYDLATHD,Alkaloids,Ornithine alkaloids,Stemona alkaloids,Stemona sessilifolia,332252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Pandanales'],['Stemonaceae'],['Unknown'],['Stemona'],['Stemona sessilifolia'],4,0,5.7289345264434814 152628,6861,-1,,,,0.63142586,ISDB,ATIPDCIQTUXABX-UWVGGRQHSA-N,"InChI=1S/C12H25N3O3/c1-8(2)7-10(12(17)18)15-11(16)9(14)5-3-4-6-13/h8-10H,3-7,13-14H2,1-2H3,(H,15,16)(H,17,18)/t9-,10-/m0/s1",CC(C)C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)O,C12H25N3O3,,259.18959166,ATIPDCIQTUXABX,Amino acids and Peptides,Small peptides,Dipeptides,Panax ginseng,524063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax ginseng'],4,0,6.525703430175781 152629,6861,-1,,,,0.63142586,ISDB,ATIPDCIQTUXABX-UWVGGRQHSA-N,"InChI=1S/C12H25N3O3/c1-8(2)7-10(12(17)18)15-11(16)9(14)5-3-4-6-13/h8-10H,3-7,13-14H2,1-2H3,(H,15,16)(H,17,18)/t9-,10-/m0/s1",CC(C)C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)O,C12H25N3O3,,259.18959166,ATIPDCIQTUXABX,Amino acids and Peptides,Small peptides,Dipeptides,Brassica napus,309234.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica napus'],4,0,6.525703430175781 152622,6858,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.0,MS1_match,JQSWONSGJKJQOF-XLWMKBOPSA-N,"InChI=1S/C36H56O10/c1-17-14-18-27(31(4,5)42)46-36(45-18)26(17)32(6)12-13-35-16-34(35)11-10-22(44-28-25(40)24(39)23(38)19(15-37)43-28)30(2,3)20(34)8-9-21(35)33(32,7)29(36)41/h9,17-20,22-29,37-42H,8,10-16H2,1-7H3/t17-,18-,19-,20-,22+,23+,24+,25-,26-,27+,28+,29-,32-,33-,34-,35+,36+/m1/s1",C[C@@H]1C[C@H]2O[C@]3(O[C@@H]2C(C)(C)O)[C@H]1[C@@]1(C)CC[C@@]24C[C@@]25CC[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@H]5CC=C4[C@]1(C)[C@H]3O,C36H56O10,pos_2_2proton2acetonitrile,648.387347992,JQSWONSGJKJQOF,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Actaea simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],6,2,7.0 152623,6858,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.0,MS1_match,JQSWONSGJKJQOF-XLWMKBOPSA-N,"InChI=1S/C36H56O10/c1-17-14-18-27(31(4,5)42)46-36(45-18)26(17)32(6)12-13-35-16-34(35)11-10-22(44-28-25(40)24(39)23(38)19(15-37)43-28)30(2,3)20(34)8-9-21(35)33(32,7)29(36)41/h9,17-20,22-29,37-42H,8,10-16H2,1-7H3/t17-,18-,19-,20-,22+,23+,24+,25-,26-,27+,28+,29-,32-,33-,34-,35+,36+/m1/s1",C[C@@H]1C[C@H]2O[C@]3(O[C@@H]2C(C)(C)O)[C@H]1[C@@]1(C)CC[C@@]24C[C@@]25CC[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@H]5CC=C4[C@]1(C)[C@H]3O,C36H56O10,pos_2_2proton2acetonitrile,648.387347992,JQSWONSGJKJQOF,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Cimicifuga simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],6,2,7.0 152618,6857,-1,,,,0.0,MS1_match,QJPCKAJTLHDNCS-KQDSFGJDSA-N,"InChI=1S/C23H34O5/c1-20-7-3-15(24)12-22(20,26)9-5-18-17(20)4-8-21(2)16(6-10-23(18,21)27)14-11-19(25)28-13-14/h11,15-18,24,26-27H,3-10,12-13H2,1-2H3/t15-,16-,17+,18-,20-,21-,22+,23+/m1/s1",C[C@]12CC[C@@H](O)C[C@@]1(O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O,C23H34O5,pos_1_1potassium,390.240624188,QJPCKAJTLHDNCS,Terpenoids,Steroids,Cardenolides,Adonis aestivalis,585229.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Adonideae'],['Adonis'],['Adonis aestivalis'],6,0,6.0 152619,6857,-1,,,,0.0,MS1_match,QJPCKAJTLHDNCS-KQDSFGJDSA-N,"InChI=1S/C23H34O5/c1-20-7-3-15(24)12-22(20,26)9-5-18-17(20)4-8-21(2)16(6-10-23(18,21)27)14-11-19(25)28-13-14/h11,15-18,24,26-27H,3-10,12-13H2,1-2H3/t15-,16-,17+,18-,20-,21-,22+,23+/m1/s1",C[C@]12CC[C@@H](O)C[C@@]1(O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O,C23H34O5,pos_1_1potassium,390.240624188,QJPCKAJTLHDNCS,Terpenoids,Steroids,Cardenolides,Adonis vernalis,693556.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Adonideae'],['Adonis'],['Adonis vernalis'],6,0,6.0 152620,6857,-1,,,,0.0,MS1_match,QJPCKAJTLHDNCS-KQDSFGJDSA-N,"InChI=1S/C23H34O5/c1-20-7-3-15(24)12-22(20,26)9-5-18-17(20)4-8-21(2)16(6-10-23(18,21)27)14-11-19(25)28-13-14/h11,15-18,24,26-27H,3-10,12-13H2,1-2H3/t15-,16-,17+,18-,20-,21-,22+,23+/m1/s1",C[C@]12CC[C@@H](O)C[C@@]1(O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O,C23H34O5,pos_1_1potassium,390.240624188,QJPCKAJTLHDNCS,Terpenoids,Steroids,Cardenolides,Adonis aestivalis,585229.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Adonideae'],['Adonis'],['Adonis aestivalis'],6,0,6.0 152621,6857,-1,,,,0.0,MS1_match,QJPCKAJTLHDNCS-KQDSFGJDSA-N,"InChI=1S/C23H34O5/c1-20-7-3-15(24)12-22(20,26)9-5-18-17(20)4-8-21(2)16(6-10-23(18,21)27)14-11-19(25)28-13-14/h11,15-18,24,26-27H,3-10,12-13H2,1-2H3/t15-,16-,17+,18-,20-,21-,22+,23+/m1/s1",C[C@]12CC[C@@H](O)C[C@@]1(O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O,C23H34O5,pos_1_1potassium,390.240624188,QJPCKAJTLHDNCS,Terpenoids,Steroids,Cardenolides,Adonis vernalis,693556.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Adonideae'],['Adonis'],['Adonis vernalis'],6,0,6.0 152616,6855,338,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,JAKRMJRMMPOUJX-PFRKTALLSA-N,"InChI=1S/C28H45NO7/c1-8-29-13-25(4)10-9-18(34-6)27-16-11-15-17(33-5)12-26(31,19(16)20(15)36-23(30)14(2)3)28(32,24(27)29)22(35-7)21(25)27/h14-22,24,31-32H,8-13H2,1-7H3/t15-,16-,17+,18+,19-,20+,21-,22+,24+,25+,26-,27+,28-/m1/s1",CCN1C[C@]2(C)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC(=O)C(C)C)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C28H45NO7,pos_1_1proton,507.3196027799999,JAKRMJRMMPOUJX,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium halteratum,209854.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium halteratum'],6,3,7.5 152617,6855,338,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,JAKRMJRMMPOUJX-PFRKTALLSA-N,"InChI=1S/C28H45NO7/c1-8-29-13-25(4)10-9-18(34-6)27-16-11-15-17(33-5)12-26(31,19(16)20(15)36-23(30)14(2)3)28(32,24(27)29)22(35-7)21(25)27/h14-22,24,31-32H,8-13H2,1-7H3/t15-,16-,17+,18+,19-,20+,21-,22+,24+,25+,26-,27+,28-/m1/s1",CCN1C[C@]2(C)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC(=O)C(C)C)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C28H45NO7,pos_1_1proton,507.3196027799999,JAKRMJRMMPOUJX,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium verdunense,142827.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium verdunense'],6,3,7.5 152612,6852,215,Terpenoids,Steroids,Cardenolides,0.0,MS1_match,QJPCKAJTLHDNCS-KQDSFGJDSA-N,"InChI=1S/C23H34O5/c1-20-7-3-15(24)12-22(20,26)9-5-18-17(20)4-8-21(2)16(6-10-23(18,21)27)14-11-19(25)28-13-14/h11,15-18,24,26-27H,3-10,12-13H2,1-2H3/t15-,16-,17+,18-,20-,21-,22+,23+/m1/s1",C[C@]12CC[C@@H](O)C[C@@]1(O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O,C23H34O5,pos_1_sodium,390.240624188,QJPCKAJTLHDNCS,Terpenoids,Steroids,Cardenolides,Adonis aestivalis,585229.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Adonideae'],['Adonis'],['Adonis aestivalis'],6,3,7.5 152613,6852,215,Terpenoids,Steroids,Cardenolides,0.0,MS1_match,QJPCKAJTLHDNCS-KQDSFGJDSA-N,"InChI=1S/C23H34O5/c1-20-7-3-15(24)12-22(20,26)9-5-18-17(20)4-8-21(2)16(6-10-23(18,21)27)14-11-19(25)28-13-14/h11,15-18,24,26-27H,3-10,12-13H2,1-2H3/t15-,16-,17+,18-,20-,21-,22+,23+/m1/s1",C[C@]12CC[C@@H](O)C[C@@]1(O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O,C23H34O5,pos_1_sodium,390.240624188,QJPCKAJTLHDNCS,Terpenoids,Steroids,Cardenolides,Adonis vernalis,693556.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Adonideae'],['Adonis'],['Adonis vernalis'],6,3,7.5 152614,6852,215,Terpenoids,Steroids,Cardenolides,0.0,MS1_match,QJPCKAJTLHDNCS-KQDSFGJDSA-N,"InChI=1S/C23H34O5/c1-20-7-3-15(24)12-22(20,26)9-5-18-17(20)4-8-21(2)16(6-10-23(18,21)27)14-11-19(25)28-13-14/h11,15-18,24,26-27H,3-10,12-13H2,1-2H3/t15-,16-,17+,18-,20-,21-,22+,23+/m1/s1",C[C@]12CC[C@@H](O)C[C@@]1(O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O,C23H34O5,pos_1_sodium,390.240624188,QJPCKAJTLHDNCS,Terpenoids,Steroids,Cardenolides,Adonis aestivalis,585229.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Adonideae'],['Adonis'],['Adonis aestivalis'],6,3,7.5 152615,6852,215,Terpenoids,Steroids,Cardenolides,0.0,MS1_match,QJPCKAJTLHDNCS-KQDSFGJDSA-N,"InChI=1S/C23H34O5/c1-20-7-3-15(24)12-22(20,26)9-5-18-17(20)4-8-21(2)16(6-10-23(18,21)27)14-11-19(25)28-13-14/h11,15-18,24,26-27H,3-10,12-13H2,1-2H3/t15-,16-,17+,18-,20-,21-,22+,23+/m1/s1",C[C@]12CC[C@@H](O)C[C@@]1(O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O,C23H34O5,pos_1_sodium,390.240624188,QJPCKAJTLHDNCS,Terpenoids,Steroids,Cardenolides,Adonis vernalis,693556.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Adonideae'],['Adonis'],['Adonis vernalis'],6,3,7.5 152497,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana prionophylla,526653.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana prionophylla'],6,3,7.5 152498,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana altaica,6061579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana altaica'],6,3,7.5 152499,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana grossheimii,6061646.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana grossheimii'],6,3,7.5 152500,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana wolgensis,5746446.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana wolgensis'],6,3,7.5 152501,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana capensis,135852.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana capensis'],6,3,7.5 152502,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana glechomifolia,6061640.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana glechomifolia'],6,3,7.5 152503,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana chionophila,6061606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana chionophila'],6,3,7.5 152504,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana fedtschenkoi,139316.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana longiflora'],6,3,7.5 152505,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana pulvinata,7625148.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana pulvinata'],6,3,7.5 152506,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana dageletiana,7625130.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana dageletiana'],6,3,7.5 152507,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana officinalis var. latifolia,430697.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,3,7.5 152508,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-GUGJDKNPSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20-,21+,22+/m0/s1",CC(=O)OCC1=CO[C@H](OC(=O)CC(C)C)[C@@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.19406792,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana microphylla,21453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana microphylla'],6,3,7.5 152509,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana sitchensis,21459.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana sitchensis'],6,3,7.5 152510,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plectritis macrocera,945858.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Plectritis'],['Plectritis macrocera'],6,3,7.5 152511,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plectritis congesta,830567.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Plectritis'],['Plectritis congesta'],6,3,7.5 152512,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana pseudofficinalis,245963.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana pseudofficinalis'],6,3,7.5 152513,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Centranthus macrosiphon,231861.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Centranthus'],['Centranthus macrosiphon'],6,3,7.5 152514,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Centranthus ruber,759056.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Centranthus'],['Centranthus ruber'],6,3,7.5 152515,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valerianella dentata,476255.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valerianella'],['Valerianella dentata'],6,3,7.5 152516,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Fedia cornucopiae,945863.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Fedia'],['Fedia cornucopiae'],6,3,7.5 152517,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valerianella coronata,445620.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valerianella'],['Valerianella coronata'],6,3,7.5 152518,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,3,7.5 152519,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana sambucifolia,746279.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana sambucifolia'],6,3,7.5 152520,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valerianella locusta,459098.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valerianella'],['Valerianella locusta'],6,3,7.5 152521,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-UHFFFAOYSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3",CC(=O)OCC1=COC(OC(=O)CC(C)C)C2C1=CC(OC(=O)CC(C)C)C21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana sorbifolia,445623.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana sorbifolia'],6,3,7.5 152522,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-UHFFFAOYSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3",CC(=O)OCC1=COC(OC(=O)CC(C)C)C2C1=CC(OC(=O)CC(C)C)C21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Centranthus,759046.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Centranthus'],['Unknown'],6,3,7.5 152523,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana tuberosa,981574.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana tuberosa'],6,3,7.5 152524,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana pulchella,5746422.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana pulchella'],6,3,7.5 152525,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana colchica,6061608.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana colchica'],6,3,7.5 152526,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana capitata,746281.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana capitata'],6,3,7.5 152527,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,XLACUABANMZLCJ-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)O[C@H]1C=C2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,XLACUABANMZLCJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana capensis,135852.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana capensis'],6,3,7.5 152528,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,XLACUABANMZLCJ-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)O[C@H]1C=C2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,XLACUABANMZLCJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana pulvinata,7625148.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana pulvinata'],6,3,7.5 152529,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,XLACUABANMZLCJ-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)O[C@H]1C=C2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,XLACUABANMZLCJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana microphylla,21453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana microphylla'],6,3,7.5 152530,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,XLACUABANMZLCJ-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)O[C@H]1C=C2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,XLACUABANMZLCJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana sitchensis,21459.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana sitchensis'],6,3,7.5 152531,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,XLACUABANMZLCJ-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)O[C@H]1C=C2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,XLACUABANMZLCJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plectritis macrocera,945858.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Plectritis'],['Plectritis macrocera'],6,3,7.5 152532,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,XLACUABANMZLCJ-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)O[C@H]1C=C2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,XLACUABANMZLCJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plectritis congesta,830567.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Plectritis'],['Plectritis congesta'],6,3,7.5 152533,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,XLACUABANMZLCJ-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)O[C@H]1C=C2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,XLACUABANMZLCJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Centranthus macrosiphon,231861.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Centranthus'],['Centranthus macrosiphon'],6,3,7.5 152534,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,XLACUABANMZLCJ-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)O[C@H]1C=C2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,XLACUABANMZLCJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Centranthus ruber,759056.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Centranthus'],['Centranthus ruber'],6,3,7.5 152535,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,XLACUABANMZLCJ-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)O[C@H]1C=C2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,XLACUABANMZLCJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valerianella dentata,476255.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valerianella'],['Valerianella dentata'],6,3,7.5 152536,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,XLACUABANMZLCJ-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)O[C@H]1C=C2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,XLACUABANMZLCJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valerianella coronata,445620.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valerianella'],['Valerianella coronata'],6,3,7.5 152537,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,XLACUABANMZLCJ-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)O[C@H]1C=C2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,XLACUABANMZLCJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Fedia cornucopiae,945863.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Fedia'],['Fedia cornucopiae'],6,3,7.5 152538,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,XLACUABANMZLCJ-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)O[C@H]1C=C2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,XLACUABANMZLCJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana sambucifolia,746279.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana sambucifolia'],6,3,7.5 152539,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,XLACUABANMZLCJ-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)O[C@H]1C=C2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,XLACUABANMZLCJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valerianella locusta,459098.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valerianella'],['Valerianella locusta'],6,3,7.5 152540,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,XLACUABANMZLCJ-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)O[C@H]1C=C2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,XLACUABANMZLCJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,3,7.5 152541,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,XLACUABANMZLCJ-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)O[C@H]1C=C2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,XLACUABANMZLCJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana micropterina,6061682.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana micropterina'],6,3,7.5 152542,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,XLACUABANMZLCJ-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)O[C@H]1C=C2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,XLACUABANMZLCJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana eriophylla,6061633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana eriophylla'],6,3,7.5 152543,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,XLACUABANMZLCJ-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)O[C@H]1C=C2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,XLACUABANMZLCJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana pulchella,5746422.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana pulchella'],6,3,7.5 152544,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,XLACUABANMZLCJ-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)O[C@H]1C=C2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,XLACUABANMZLCJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana prionophylla,526653.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana prionophylla'],6,3,7.5 152545,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,XLACUABANMZLCJ-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)O[C@H]1C=C2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,XLACUABANMZLCJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana condamoana,6061611.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana condamoana'],6,3,7.5 152546,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,XLACUABANMZLCJ-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)O[C@H]1C=C2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,XLACUABANMZLCJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana edulis,646604.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana edulis'],6,3,7.5 152547,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,XLACUABANMZLCJ-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)O[C@H]1C=C2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,XLACUABANMZLCJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,3,7.5 152548,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana,393345.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Unknown'],6,3,7.5 152549,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-UHFFFAOYSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3",CC(=O)OCC1=COC(OC(=O)CC(C)C)C2C1=CC(OC(=O)CC(C)C)C21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana alliariifolia,5746411.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana alliariifolia'],6,3,7.5 152550,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana tripteris,445625.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana tripteris'],6,3,7.5 152551,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana stolonifera,5746447.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana stolonifera'],6,3,7.5 152552,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana alpestris,5746412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana alpestris'],6,3,7.5 152553,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,XLACUABANMZLCJ-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)O[C@H]1C=C2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,XLACUABANMZLCJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana sorbifolia,445623.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana sorbifolia'],6,3,7.5 152554,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,XLACUABANMZLCJ-UHFFFAOYSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3",CC(=O)OC1C=C2C(COC(=O)CC(C)C)=COC(OC(=O)CC(C)C)C2C12CO2,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,XLACUABANMZLCJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana,393345.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Unknown'],6,3,7.5 152555,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana micropterina,6061682.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana micropterina'],6,3,7.5 152556,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plectritis congesta,830567.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Plectritis'],['Plectritis congesta'],6,3,7.5 152557,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana condamoana,6061611.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana condamoana'],6,3,7.5 152558,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Centranthus macrosiphon,231861.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Centranthus'],['Centranthus macrosiphon'],6,3,7.5 152559,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Centranthus ruber,759056.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Centranthus'],['Centranthus ruber'],6,3,7.5 152560,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valerianella dentata,476255.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valerianella'],['Valerianella dentata'],6,3,7.5 152561,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Fedia cornucopiae,945863.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Fedia'],['Fedia cornucopiae'],6,3,7.5 152562,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valerianella coronata,445620.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valerianella'],['Valerianella coronata'],6,3,7.5 152563,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,3,7.5 152564,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana sambucifolia,746279.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana sambucifolia'],6,3,7.5 152565,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valerianella locusta,459098.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valerianella'],['Valerianella locusta'],6,3,7.5 152566,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-UHFFFAOYSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3",CC(=O)OCC1=COC(OC(=O)CC(C)C)C2C1=CC(OC(=O)CC(C)C)C21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana sorbifolia,445623.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana sorbifolia'],6,3,7.5 152567,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-UHFFFAOYSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3",CC(=O)OCC1=COC(OC(=O)CC(C)C)C2C1=CC(OC(=O)CC(C)C)C21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Centranthus,759046.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Centranthus'],['Unknown'],6,3,7.5 152568,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana pulchella,5746422.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana pulchella'],6,3,7.5 152569,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana prionophylla,526653.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana prionophylla'],6,3,7.5 152570,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana condamoana,6061611.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana condamoana'],6,3,7.5 152571,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana micropterina,6061682.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana micropterina'],6,3,7.5 152572,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana edulis,646604.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana edulis'],6,3,7.5 152573,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,3,7.5 152574,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana cardamines,6061598.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana cardamines'],6,3,7.5 152575,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana eriophylla,6061633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana eriophylla'],6,3,7.5 152576,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana rossica,6061718.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana rossica'],6,3,7.5 152577,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plectritis macrocera,945858.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Plectritis'],['Plectritis macrocera'],6,3,7.5 152578,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana sitchensis,21459.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana sitchensis'],6,3,7.5 152579,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana pseudofficinalis,245963.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana pseudofficinalis'],6,3,7.5 152580,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana officinalis var. latifolia,430697.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,3,7.5 152581,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana edulis,646604.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana edulis'],6,3,7.5 152582,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,3,7.5 152583,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana cardamines,6061598.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana cardamines'],6,3,7.5 152584,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana eriophylla,6061633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana eriophylla'],6,3,7.5 152585,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana rossica,6061718.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana rossica'],6,3,7.5 152586,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana,393345.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Unknown'],6,3,7.5 152587,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-UHFFFAOYSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3",CC(=O)OCC1=COC(OC(=O)CC(C)C)C2C1=CC(OC(=O)CC(C)C)C21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana alliariifolia,5746411.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana alliariifolia'],6,3,7.5 152588,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-GUGJDKNPSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20-,21+,22+/m0/s1",CC(=O)OCC1=CO[C@H](OC(=O)CC(C)C)[C@@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.19406792,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana microphylla,21453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana microphylla'],6,3,7.5 152589,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana stolonifera,5746447.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana stolonifera'],6,3,7.5 152590,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana capitata,746281.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana capitata'],6,3,7.5 152591,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana alpestris,5746412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana alpestris'],6,3,7.5 152592,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana tripteris,445625.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana tripteris'],6,3,7.5 152593,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana tuberosa,981574.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana tuberosa'],6,3,7.5 152594,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana colchica,6061608.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana colchica'],6,3,7.5 152595,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana pulvinata,7625148.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana pulvinata'],6,3,7.5 152596,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana fedtschenkoi,139316.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana longiflora'],6,3,7.5 152597,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana chionophila,6061606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana chionophila'],6,3,7.5 152598,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana dageletiana,7625130.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana dageletiana'],6,3,7.5 152599,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana capensis,135852.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana capensis'],6,3,7.5 152600,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana wolgensis,5746446.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana wolgensis'],6,3,7.5 152601,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana grossheimii,6061646.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana grossheimii'],6,3,7.5 152602,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana altaica,6061579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana altaica'],6,3,7.5 152603,6851,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana glechomifolia,6061640.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana glechomifolia'],6,3,7.5 152496,6849,104,Amino acids and Peptides,Small peptides,Dipeptides,0.6769913,ISDB,PPQRSMGDOHLTBE-UWVGGRQHSA-N,"InChI=1S/C12H16N2O4/c13-9(7-15)11(16)14-10(12(17)18)6-8-4-2-1-3-5-8/h1-5,9-10,15H,6-7,13H2,(H,14,16)(H,17,18)/t9-,10-/m0/s1",N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)O,C12H16N2O4,,252.111006992,PPQRSMGDOHLTBE,Amino acids and Peptides,Small peptides,Dipeptides,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],4,3,8.20796513557434 152495,6847,768,Amino acids and Peptides,Small peptides,Dipeptides,0.31506065,ISDB,UWDIQZJVMAKUPJ-LWKPJOBUSA-N,"InChI=1S/C20H30N2O3/c1-6-15(4)18(23)20(25)22(5)17(14(2)3)19(24)21-13-12-16-10-8-7-9-11-16/h7-11,14-15,17H,6,12-13H2,1-5H3,(H,21,24)/t15?,17-/m0/s1",CCC(C)C(=O)C(=O)N(C)[C@H](C(=O)NCCc1ccccc1)C(C)C,C20H30N2O3,,346.22564282,UWDIQZJVMAKUPJ,Amino acids and Peptides,Small peptides,Dipeptides,Xenorhabdus,332312.0,['Bacteria'],['Unknown'],['Proteobacteria'],['Gammaproteobacteria'],['Enterobacteriales'],['Morganellaceae'],['Unknown'],['Xenorhabdus'],['Unknown'],0,3,2.7602425813674927 152489,6845,398,Terpenoids,Steroids,Spirostane steroids,0.4483795,ISDB,BIIBZAQPPUWOPA-NGFJZNNZSA-N,"InChI=1S/C44H58O6/c1-28(2)15-11-17-30(5)19-13-20-32(7)22-26-43-36(45)27-33(8)41(47)44(43,48)50-39-35-23-25-42(10,49-40(35)38(46)34(9)37(39)43)24-14-21-31(6)18-12-16-29(3)4/h15-16,19,21-23,25,27,46,48H,11-14,17-18,20,24,26H2,1-10H3/b30-19+,31-21+,32-22+/t42-,43?,44?/m1/s1",CC(C)=CCC/C(C)=C/CC/C(C)=C/CC12C(=O)C=C(C)C(=O)C1(O)Oc1c3c(c(O)c(C)c12)O[C@](C)(CC/C=C(\C)CCC=C(C)C)C=C3,C44H58O6,,682.423339576,BIIBZAQPPUWOPA,Polyketides,Meroterpenoids,Polyprenylated cyclic polyketides (Hop meroterpenoids),Albatrellus ovinus,140762.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Agaricomycetes'],['Russulales'],['Albatrellaceae'],['Unknown'],['Albatrellus'],['Albatrellus ovinus'],1,0,2.7935179471969604 152488,6843,338,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,JZBNMSVUZKTTOR-UHFFFAOYSA-N,"InChI=1S/C29H33NO4/c1-15-10-28-13-18-24-27(2)11-17(31)12-29(24)25(28)22(33)20(15)23(21(28)26(29)30(18)14-27)34-19(32)9-8-16-6-4-3-5-7-16/h3-9,17-18,20-26,31,33H,1,10-14H2,2H3",C=C1CC23CC4C5C6(C)CC(O)CC57C(C2C(OC(=O)C=Cc2ccccc2)C1C(O)C37)N4C6,C29H33NO4,pos_1_1proton1ethylamine,459.240958536,JZBNMSVUZKTTOR,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum palmatum,698584.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum palmatum'],6,3,7.5 152483,6839,74,Alkaloids,Phloroglucinols,Acyl phloroglucinols,0.0,MS1_match,QMPMWGJFHADPSW-SRTWBSLKSA-N,"InChI=1S/C22H33NO6/c1-4-23-9-19-13-8-21(26)18(23)22(13,14(24)6-15(19)29-19)11-5-10-12(27-2)7-20(21,25)16(11)17(10)28-3/h10-18,24-26H,4-9H2,1-3H3/t10-,11-,12+,13-,14+,15+,16-,17+,18-,19-,20-,21-,22-/m1/s1",CCN1C[C@]23O[C@H]2C[C@H](O)[C@@]24[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)(C[C@H]32)[C@@H]14,C22H33NO6,pos_1_1proton,407.230787776,QMPMWGJFHADPSW,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum karakolicum,44345.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum karakolicum'],6,1,6.5 152484,6839,74,Alkaloids,Phloroglucinols,Acyl phloroglucinols,0.0,MS1_match,QMPMWGJFHADPSW-SRTWBSLKSA-N,"InChI=1S/C22H33NO6/c1-4-23-9-19-13-8-21(26)18(23)22(13,14(24)6-15(19)29-19)11-5-10-12(27-2)7-20(21,25)16(11)17(10)28-3/h10-18,24-26H,4-9H2,1-3H3/t10-,11-,12+,13-,14+,15+,16-,17+,18-,19-,20-,21-,22-/m1/s1",CCN1C[C@]23O[C@H]2C[C@H](O)[C@@]24[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)(C[C@H]32)[C@@H]14,C22H33NO6,pos_1_1proton,407.230787776,QMPMWGJFHADPSW,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum monticola,625485.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum monticola'],6,1,6.5 152485,6839,74,Alkaloids,Phloroglucinols,Acyl phloroglucinols,0.0,MS1_match,DQWXBKQMXDMQET-NYSGAABESA-N,"InChI=1S/C22H33NO6/c1-26-13-8-20(24)16-12(7-11(13)17(16)28-3)21-14(27-2)6-5-10-9-23-19(21)22(20,25)18(29-4)15(10)21/h9-19,24-25H,5-8H2,1-4H3/t10-,11+,12+,13-,14-,15-,16+,17-,18-,19-,20+,21-,22+/m0/s1",CO[C@H]1[C@@H]2C[C@@H]3[C@H]1[C@](O)(C[C@@H]2OC)[C@@]1(O)[C@@H](OC)[C@@H]2[C@@H]4C=N[C@H]1[C@@]23[C@@H](OC)CC4,C22H33NO6,pos_1_1proton,407.230787776,DQWXBKQMXDMQET,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum lycoctonum,14055.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum lycoctonum'],6,1,6.5 152486,6839,74,Alkaloids,Phloroglucinols,Acyl phloroglucinols,0.0,MS1_match,LRGRDKFVKMAPSZ-SWJAHKKNSA-N,"InChI=1S/C22H33NO6/c1-4-23-9-19(24)6-5-13-21-12(19)7-10(17(21)23)20(25)8-11(27-2)14-15(29-13)16(21)22(20,26)18(14)28-3/h10-18,24-26H,4-9H2,1-3H3/t10-,11-,12+,13-,14-,15+,16-,17+,18-,19+,20-,21+,22-/m0/s1",CCN1C[C@]2(O)CC[C@@H]3O[C@@H]4[C@@H]5[C@@H](OC)C[C@]6(O)[C@H]7C[C@H]2[C@]3([C@@H]71)[C@H]4[C@]6(O)[C@H]5OC,C22H33NO6,pos_1_1proton,407.230787776,LRGRDKFVKMAPSZ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum lycoctonum,14055.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum lycoctonum'],6,1,6.5 152487,6839,74,Alkaloids,Phloroglucinols,Acyl phloroglucinols,0.0,MS1_match,XGNLVYXRWSQUKE-PGFKDEHDSA-N,"InChI=1S/C22H33NO6/c1-27-9-20-5-4-15(29-3)22-11-6-10-13(28-2)8-21(26,16(11)17(10)24)12(7-14(20)22)18(22)23-19(20)25/h10-18,24,26H,4-9H2,1-3H3,(H,23,25)/t10-,11-,12+,13+,14-,15+,16-,17-,18-,20+,21+,22-/m1/s1",COC[C@@]12CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]13)[C@H]4NC2=O,C22H33NO6,pos_1_1proton,407.230787776,XGNLVYXRWSQUKE,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum piepunense,384357.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum piepunense'],6,1,6.5 152475,6835,295,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WDKYDMULARNCIS-UHFFFAOYSA-N,"InChI=1S/C11H12O4/c1-2-15-11(14)6-4-8-3-5-9(12)10(13)7-8/h3-7,12-13H,2H2,1H3",CCOC(=O)C=Cc1ccc(O)c(O)c1,C11H12O4,pos_2MHNH3,208.073558864,WDKYDMULARNCIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis delavayi,72769.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis delavayi'],8,3,9.5 152405,6833,28,Polyketides,Aromatic polyketides,Aromatic polyketides with side chains,0.30738306,ISDB,WSPSBGYYAVPUDE-HZJYTTRNSA-N,"InChI=1S/C23H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22(26)20(24)18-21(25)23(19)27/h6-7,9-10,18,24,27H,2-5,8,11-17H2,1H3/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCCCC1=C(O)C(=O)C=C(O)C1=O,C23H34O4,,374.245709568,WSPSBGYYAVPUDE,Polyketides,Aromatic polyketides,Aromatic polyketides with side chains,Embelia angustifolia,6052001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Primulaceae'],['Unknown'],['Embelia'],['Embelia angustifolia'],4,3,6.729532241821289 152402,6832,-1,,,,0.0,MS1_match,BDJSFPZAYZYESM-PDEGOASRSA-N,"InChI=1S/C29H44O5/c1-16-22-17(13-19(31)23(16)32)27(4)10-12-29(6)21-15-26(3,24(33)34)8-7-25(21,2)9-11-28(29,5)20(27)14-18(22)30/h17-21,30-31H,7-15H2,1-6H3,(H,33,34)/t17-,18-,19-,20+,21-,25-,26-,27+,28-,29+/m1/s1",CC1=C2[C@H](O)C[C@H]3[C@@](C)(CC[C@@]4(C)[C@@H]5C[C@](C)(C(=O)O)CC[C@]5(C)CC[C@]34C)[C@@H]2C[C@@H](O)C1=O,C29H44O5,pos_1_1proton1ammonium,472.318874508,BDJSFPZAYZYESM,Terpenoids,Triterpenoids,Friedelane triterpenoids,Tripterygium wilfordii,300831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium wilfordii'],6,0,6.0 152403,6832,-1,,,,0.0,MS1_match,QEIFWJNSWAONFY-YXDLWJFISA-N,"InChI=1S/C29H44O5/c1-16-15-20-25(4,22(31)21(16)30)12-14-26(5)18-7-9-28-17(2)29(33,34-23(28)32)10-8-19(28)24(18,3)11-13-27(20,26)6/h16-20,22,31,33H,7-15H2,1-6H3/t16-,17-,18+,19+,20-,22-,24-,25-,26-,27+,28+,29+/m1/s1",C[C@@H]1C[C@@H]2[C@@](C)(CC[C@]3(C)[C@H]4CC[C@@]56C(=O)O[C@@](O)(CC[C@H]5[C@]4(C)CC[C@@]23C)[C@@H]6C)[C@H](O)C1=O,C29H44O5,pos_1_1proton1ammonium,472.318874508,QEIFWJNSWAONFY,Terpenoids,Triterpenoids,Friedelane triterpenoids,Microtropis triflora,1045126.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Microtropis'],['Microtropis triflora'],6,0,6.0 152183,6830,419,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_1_1proton1methanol,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera microphylla,980075.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera microphylla'],7,3,8.5 152181,6829,-1,,,,0.50505817,ISDB,ZLQYEKDHCDLAGO-DDGSWIOPSA-N,"InChI=1S/C30H32O20/c31-7-15-20(38)23(41)25(43)29(48-15)46-10-4-13(34)19-14(5-10)47-27(9-1-2-11(32)12(33)3-9)28(22(19)40)50-30-26(44)24(42)21(39)16(49-30)8-45-18(37)6-17(35)36/h1-5,15-16,20-21,23-26,29-34,38-39,41-44H,6-8H2,(H,35,36)/t15-,16-,20-,21-,23+,24+,25-,26-,29-,30+/m1/s1",O=C(O)CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C30H32O20,,712.148693424,ZLQYEKDHCDLAGO,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus fluitans,961752.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus fluitans'],6,0,8.020232677459717 152160,6828,-1,,,,0.0,MS1_match,PXWDSLJKRCHLGI-UHFFFAOYSA-N,"InChI=1S/C47H76O17/c1-22-30(50)33(53)36(56)39(60-22)64-41(58)47-16-14-42(2,3)18-24(47)23-8-9-28-43(4)12-11-29(44(5,21-49)27(43)10-13-46(28,7)45(23,6)15-17-47)63-38-35(55)32(52)26(20-59-38)62-40-37(57)34(54)31(51)25(19-48)61-40/h8,22,24-40,48-57H,9-21H2,1-7H3",CC1OC(OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CCC(OC6OCC(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(C)(CO)C5CCC4(C)C2(C)CC3)C(O)C(O)C1O,C47H76O17,pos_3_3sodium,912.508250972,PXWDSLJKRCHLGI,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis tangutica,21285.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tangutica'],8,0,8.0 152151,6827,-1,,,,0.35450858,ISDB,CNPNWGHRMBQHBZ-ZKWXMUAHSA-N,"InChI=1S/C11H21N3O4/c1-3-6(2)9(13)10(16)14-7(11(17)18)4-5-8(12)15/h6-7,9H,3-5,13H2,1-2H3,(H2,12,15)(H,14,16)(H,17,18)/t6-,7-,9-/m0/s1",CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)O,C11H21N3O4,,259.153206152,CNPNWGHRMBQHBZ,Amino acids and Peptides,Small peptides,Dipeptides,Brassica napus,309234.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica napus'],4,0,5.418034315109253 152148,6826,-1,,,,0.0,MS1_match,MGEDPNBPAMLIHW-WVRIYPJASA-N,"InChI=1S/C21H27NO2/c1-11-7-19-8-20(24)10-22-9-18(2)4-3-5-21(17(18)20)15(19)14(23)12(11)6-13(19)16(21)22/h12-13,15-17,24H,1,3-10H2,2H3/t12-,13-,15-,16-,17+,18+,19+,20+,21+/m1/s1",C=C1C[C@@]23C[C@]4(O)CN5C[C@]6(C)CCC[C@@]7([C@@H]2C(=O)[C@@H]1C[C@@H]3[C@@H]57)[C@@H]64,C21H27NO2,pos_1_1proton2acetonitrile,325.204179104,MGEDPNBPAMLIHW,Terpenoids,Diterpenoids,Atisane diterpenoids,Thalictrum javanicum,124737.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum javanicum'],6,0,6.0 152149,6826,-1,,,,0.0,MS1_match,MGEDPNBPAMLIHW-UHFFFAOYSA-N,"InChI=1S/C21H27NO2/c1-11-7-19-8-20(24)10-22-9-18(2)4-3-5-21(17(18)20)15(19)14(23)12(11)6-13(19)16(21)22/h12-13,15-17,24H,1,3-10H2,2H3",C=C1CC23CC4(O)CN5CC6(C)CCCC7(C5C2CC1C(=O)C37)C64,C21H27NO2,pos_1_1proton2acetonitrile,325.204179104,MGEDPNBPAMLIHW,Terpenoids,Diterpenoids,Atisane diterpenoids,Thalictrum sessile,124737.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum javanicum'],6,0,6.0 152150,6826,-1,,,,0.0,MS1_match,XSVCVUWEQFJJRW-JMGTWLQXSA-N,"InChI=1S/C21H27NO2/c1-11-6-20-9-15(24)17-19(2)7-13(23)8-21(17)16(20)5-12(11)4-14(20)18(21)22(3)10-19/h12,14,16-18H,1,4-10H2,2-3H3/t12-,14+,16+,17+,18+,19-,20-,21+/m0/s1",C=C1C[C@@]23CC(=O)[C@@H]4[C@@]5(C)CC(=O)C[C@@]46[C@@H]2C[C@@H]1C[C@@H]3[C@H]6N(C)C5,C21H27NO2,pos_1_1proton2acetonitrile,325.204179104,XSVCVUWEQFJJRW,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum variegatum,586783.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum variegatum'],6,0,6.0 152147,6824,-1,,,,0.2381272,ISDB,,,,,,,NGZZXPMEIISLIG,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.952508807182312 152146,6819,83,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,NPCIWINHUDIWAV-LJQANCHMSA-N,"InChI=1S/C22H35IO2/c1-19(18-22(24)25)12-10-8-6-4-2-3-5-7-9-11-13-20-14-16-21(23)17-15-20/h14-17,19H,2-13,18H2,1H3,(H,24,25)/t19-/m1/s1",C[C@H](CCCCCCCCCCCCc1ccc(I)cc1)CC(=O)O,C22H35IO2,pos_1_1proton1isopropanol,458.16817836,NPCIWINHUDIWAV,Polyketides,,,Delphinium verdunense,142827.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium verdunense'],6,0,6.0 152122,6818,-1,,,,0.2702922,ISDB,AKZBEMDOKOHIFM-BIGSBDRZSA-N,"InChI=1S/C24H20O9/c25-14-3-1-10(5-16(14)27)12-8-21(31)33-24-13-7-19(30)23(11-2-4-15(26)17(28)6-11)32-20(13)9-18(29)22(12)24/h1-6,9,12,19,23,25-30H,7-8H2/t12-,19-,23+/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)c2c(O)cc3c(c2O1)C[C@H](O)[C@@H](c1ccc(O)c(O)c1)O3,C24H20O9,,452.11073221999993,AKZBEMDOKOHIFM,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Flacourtia indica,215655.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Salicaceae'],['Flacourtieae'],['Flacourtia'],['Flacourtia indica'],4,0,5.0811687707901 152123,6818,-1,,,,0.2702922,ISDB,AKZBEMDOKOHIFM-MSVHQQNVSA-N,"InChI=1S/C24H20O9/c25-14-3-1-10(5-16(14)27)12-8-21(31)33-24-13-7-19(30)23(11-2-4-15(26)17(28)6-11)32-20(13)9-18(29)22(12)24/h1-6,9,12,19,23,25-30H,7-8H2/t12-,19+,23-/m1/s1",O=C1C[C@H](c2ccc(O)c(O)c2)c2c(O)cc3c(c2O1)C[C@H](O)[C@@H](c1ccc(O)c(O)c1)O3,C24H20O9,,452.11073222,AKZBEMDOKOHIFM,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Castanopsis hystrix,129485.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Fagaceae'],['Unknown'],['Castanopsis'],['Castanopsis hystrix'],4,0,5.0811687707901 152124,6818,-1,,,,0.2702922,ISDB,AKZBEMDOKOHIFM-MSVHQQNVSA-N,"InChI=1S/C24H20O9/c25-14-3-1-10(5-16(14)27)12-8-21(31)33-24-13-7-19(30)23(11-2-4-15(26)17(28)6-11)32-20(13)9-18(29)22(12)24/h1-6,9,12,19,23,25-30H,7-8H2/t12-,19+,23-/m1/s1",O=C1C[C@H](c2ccc(O)c(O)c2)c2c(O)cc3c(c2O1)C[C@H](O)[C@@H](c1ccc(O)c(O)c1)O3,C24H20O9,,452.11073222,AKZBEMDOKOHIFM,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Castanopsis purpurella,3930380.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Fagaceae'],['Unknown'],['Castanopsis'],['Castanopsis purpurella'],4,0,5.0811687707901 152125,6818,-1,,,,0.2702922,ISDB,AKZBEMDOKOHIFM-MSVHQQNVSA-N,"InChI=1S/C24H20O9/c25-14-3-1-10(5-16(14)27)12-8-21(31)33-24-13-7-19(30)23(11-2-4-15(26)17(28)6-11)32-20(13)9-18(29)22(12)24/h1-6,9,12,19,23,25-30H,7-8H2/t12-,19+,23-/m1/s1",O=C1C[C@H](c2ccc(O)c(O)c2)c2c(O)cc3c(c2O1)C[C@H](O)[C@@H](c1ccc(O)c(O)c1)O3,C24H20O9,,452.11073222,AKZBEMDOKOHIFM,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Smilax corbularia,628572.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Liliales'],['Smilacaceae'],['Unknown'],['Smilax'],['Smilax corbularia'],4,0,5.0811687707901 152126,6818,-1,,,,0.2702922,ISDB,AKZBEMDOKOHIFM-UMAWSMADSA-N,"InChI=1S/C24H20O9/c25-14-3-1-10(5-16(14)27)12-8-21(31)33-24-13-7-19(30)23(11-2-4-15(26)17(28)6-11)32-20(13)9-18(29)22(12)24/h1-6,9,12,19,23,25-30H,7-8H2/t12-,19-,23-/m1/s1",O=C1C[C@H](c2ccc(O)c(O)c2)c2c(O)cc3c(c2O1)C[C@@H](O)[C@@H](c1ccc(O)c(O)c1)O3,C24H20O9,,452.11073222,AKZBEMDOKOHIFM,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Trichilia catigua,5747805.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Trichilia'],['Trichilia catigua'],4,0,5.0811687707901 152127,6818,-1,,,,0.2702922,ISDB,AKZBEMDOKOHIFM-UMAWSMADSA-N,"InChI=1S/C24H20O9/c25-14-3-1-10(5-16(14)27)12-8-21(31)33-24-13-7-19(30)23(11-2-4-15(26)17(28)6-11)32-20(13)9-18(29)22(12)24/h1-6,9,12,19,23,25-30H,7-8H2/t12-,19-,23-/m1/s1",O=C1C[C@H](c2ccc(O)c(O)c2)c2c(O)cc3c(c2O1)C[C@@H](O)[C@@H](c1ccc(O)c(O)c1)O3,C24H20O9,,452.11073222,AKZBEMDOKOHIFM,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Cinchona pubescens,30634.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Cinchoneae'],['Cinchona'],['Cinchona pubescens'],4,0,5.0811687707901 152128,6818,-1,,,,0.2702922,ISDB,AKZBEMDOKOHIFM-MSVHQQNVSA-N,"InChI=1S/C24H20O9/c25-14-3-1-10(5-16(14)27)12-8-21(31)33-24-13-7-19(30)23(11-2-4-15(26)17(28)6-11)32-20(13)9-18(29)22(12)24/h1-6,9,12,19,23,25-30H,7-8H2/t12-,19+,23-/m1/s1",O=C1C[C@H](c2ccc(O)c(O)c2)c2c(O)cc3c(c2O1)C[C@H](O)[C@@H](c1ccc(O)c(O)c1)O3,C24H20O9,,452.11073222,AKZBEMDOKOHIFM,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Castanopsis sclerophylla,149021.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Fagaceae'],['Unknown'],['Castanopsis'],['Castanopsis sclerophylla'],4,0,5.0811687707901 152010,6816,1,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.3889708,ISDB,AZKVWQKMDGGDSV-BCMRRPTOSA-N,"InChI=1S/C11H14O5/c1-15-10(13)8-5-16-11(14)9-6(4-12)2-3-7(8)9/h2,5,7,9,11-12,14H,3-4H2,1H3/t7-,9-,11-/m1/s1",COC(=O)C1=CO[C@@H](O)[C@@H]2C(CO)=CC[C@H]12,C11H14O5,,226.084123548,AZKVWQKMDGGDSV,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Gardenia,840077.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Gardenieae'],['Gardenia'],['Unknown'],4,3,7.055883169174194 152011,6816,1,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.3889708,ISDB,AZKVWQKMDGGDSV-BCMRRPTOSA-N,"InChI=1S/C11H14O5/c1-15-10(13)8-5-16-11(14)9-6(4-12)2-3-7(8)9/h2,5,7,9,11-12,14H,3-4H2,1H3/t7-,9-,11-/m1/s1",COC(=O)C1=CO[C@@H](O)[C@@H]2C(CO)=CC[C@H]12,C11H14O5,,226.084123548,AZKVWQKMDGGDSV,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Garrya elliptica,148281.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Garryales'],['Garryaceae'],['Unknown'],['Garrya'],['Garrya elliptica'],4,3,7.055883169174194 152012,6816,1,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.3889708,ISDB,AZKVWQKMDGGDSV-BCMRRPTOSA-N,"InChI=1S/C11H14O5/c1-15-10(13)8-5-16-11(14)9-6(4-12)2-3-7(8)9/h2,5,7,9,11-12,14H,3-4H2,1H3/t7-,9-,11-/m1/s1",COC(=O)C1=CO[C@@H](O)[C@@H]2C(CO)=CC[C@H]12,C11H14O5,,226.084123548,AZKVWQKMDGGDSV,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Apodytes dimidiata,979569.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Metteniusales'],['Metteniusaceae'],['Unknown'],['Apodytes'],['Apodytes dimidiata'],4,3,7.055883169174194 152013,6816,1,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.3889708,ISDB,AZKVWQKMDGGDSV-BCMRRPTOSA-N,"InChI=1S/C11H14O5/c1-15-10(13)8-5-16-11(14)9-6(4-12)2-3-7(8)9/h2,5,7,9,11-12,14H,3-4H2,1H3/t7-,9-,11-/m1/s1",COC(=O)C1=CO[C@@H](O)[C@@H]2C(CO)=CC[C@H]12,C11H14O5,,226.084123548,AZKVWQKMDGGDSV,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Gardenia jasminoides,919367.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Gardenieae'],['Gardenia'],['Gardenia jasminoides'],4,3,7.055883169174194 152014,6816,1,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.3889708,ISDB,AZKVWQKMDGGDSV-BCMRRPTOSA-N,"InChI=1S/C11H14O5/c1-15-10(13)8-5-16-11(14)9-6(4-12)2-3-7(8)9/h2,5,7,9,11-12,14H,3-4H2,1H3/t7-,9-,11-/m1/s1",COC(=O)C1=CO[C@@H](O)[C@@H]2C(CO)=CC[C@H]12,C11H14O5,,226.084123548,AZKVWQKMDGGDSV,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lamium album,332796.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Lamieae'],['Lamium'],['Lamium album'],4,3,7.055883169174194 152015,6816,1,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.3889708,ISDB,AZKVWQKMDGGDSV-BCMRRPTOSA-N,"InChI=1S/C11H14O5/c1-15-10(13)8-5-16-11(14)9-6(4-12)2-3-7(8)9/h2,5,7,9,11-12,14H,3-4H2,1H3/t7-,9-,11-/m1/s1",COC(=O)C1=CO[C@@H](O)[C@@H]2C(CO)=CC[C@H]12,C11H14O5,,226.084123548,AZKVWQKMDGGDSV,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Genipa americana,771037.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Gardenieae'],['Genipa'],['Genipa americana'],4,3,7.055883169174194 152016,6816,1,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.3889708,ISDB,AZKVWQKMDGGDSV-BCMRRPTOSA-N,"InChI=1S/C11H14O5/c1-15-10(13)8-5-16-11(14)9-6(4-12)2-3-7(8)9/h2,5,7,9,11-12,14H,3-4H2,1H3/t7-,9-,11-/m1/s1",COC(=O)C1=CO[C@@H](O)[C@@H]2C(CO)=CC[C@H]12,C11H14O5,,226.084123548,AZKVWQKMDGGDSV,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Rothmannia globosa,3878139.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Gardenieae'],['Rothmannia'],['Rothmannia globosa'],4,3,7.055883169174194 152017,6816,1,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.3889708,ISDB,AZKVWQKMDGGDSV-BCMRRPTOSA-N,"InChI=1S/C11H14O5/c1-15-10(13)8-5-16-11(14)9-6(4-12)2-3-7(8)9/h2,5,7,9,11-12,14H,3-4H2,1H3/t7-,9-,11-/m1/s1",COC(=O)C1=CO[C@@H](O)[C@@H]2C(CO)=CC[C@H]12,C11H14O5,,226.084123548,AZKVWQKMDGGDSV,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Eucommia ulmoides,743836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Garryales'],['Eucommiaceae'],['Unknown'],['Eucommia'],['Eucommia ulmoides'],4,3,7.055883169174194 151993,6812,-1,,,,0.0,MS1_match,DBIKJXXBCAHHMC-WOJBJXKFSA-N,"InChI=1S/C20H26O7/c1-25-17-11-14(6-7-15(17)23)20(24)19(12-22)27-16-8-5-13(4-3-9-21)10-18(16)26-2/h5-8,10-11,19-24H,3-4,9,12H2,1-2H3/t19-,20-/m1/s1",COc1cc([C@@H](O)[C@@H](CO)Oc2ccc(CCCO)cc2OC)ccc1O,C20H26O7,pos_2MNa,378.1678531719999,DBIKJXXBCAHHMC,Shikimates and Phenylpropanoids,Lignans,Neolignans,Euonymus alatus,601141.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus alatus'],7,0,7.0 151994,6812,-1,,,,0.0,MS1_match,DBIKJXXBCAHHMC-WOJBJXKFSA-N,"InChI=1S/C20H26O7/c1-25-17-11-14(6-7-15(17)23)20(24)19(12-22)27-16-8-5-13(4-3-9-21)10-18(16)26-2/h5-8,10-11,19-24H,3-4,9,12H2,1-2H3/t19-,20-/m1/s1",COc1cc([C@@H](O)[C@@H](CO)Oc2ccc(CCCO)cc2OC)ccc1O,C20H26O7,pos_2MNa,378.1678531719999,DBIKJXXBCAHHMC,Shikimates and Phenylpropanoids,Lignans,Neolignans,Euonymus alatus,601141.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus alatus'],7,0,7.0 151941,6810,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,DBODJJZRZFZBBD-WDTQSPAGSA-N,"InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18?,19+,20+,21-,22?,23+,24-,25?/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)C34C1C([C@H](OC)[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C25H41NO6,pos_1_1proton1methanol,451.293388032,DBODJJZRZFZBBD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum volubile,549540.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum volubile'],6,3,7.5 151942,6810,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,DBODJJZRZFZBBD-RIVIBFSZSA-N,"InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19+,20+,21-,22?,23+,24-,25+/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@]34C1[C@H]([C@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C25H41NO6,pos_1_1proton1methanol,451.2933880319999,DBODJJZRZFZBBD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum hemsleyanum,511674.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum hemsleyanum'],6,3,7.5 151943,6810,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,DBODJJZRZFZBBD-WDTQSPAGSA-N,"InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18?,19+,20+,21-,22?,23+,24-,25?/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)C34C1C([C@H](OC)[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C25H41NO6,pos_1_1proton1methanol,451.293388032,DBODJJZRZFZBBD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum geniculatum,97187.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum geniculatum'],6,3,7.5 151944,6810,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,DBODJJZRZFZBBD-RIVIBFSZSA-N,"InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19+,20+,21-,22?,23+,24-,25+/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@]34C1[C@H]([C@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C25H41NO6,pos_1_1proton1methanol,451.2933880319999,DBODJJZRZFZBBD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum forrestii,556432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum forrestii'],6,3,7.5 151945,6810,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,DBODJJZRZFZBBD-RIVIBFSZSA-N,"InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19+,20+,21-,22?,23+,24-,25+/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@]34C1[C@H]([C@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C25H41NO6,pos_1_1proton1methanol,451.2933880319999,DBODJJZRZFZBBD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum nevadense,3944952.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum burnatii'],6,3,7.5 151946,6810,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,DBODJJZRZFZBBD-RIVIBFSZSA-N,"InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19+,20+,21-,22?,23+,24-,25+/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@]34C1[C@H]([C@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C25H41NO6,pos_1_1proton1methanol,451.2933880319999,DBODJJZRZFZBBD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum burnatii,3944952.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum burnatii'],6,3,7.5 151947,6810,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,DBODJJZRZFZBBD-XXYWQWTJSA-N,"InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19+,20+,21-,22-,23+,24-,25+/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H]([C@H](OC)[C@H]23)[C@@H]14,C25H41NO6,pos_1_1proton1methanol,451.293388032,DBODJJZRZFZBBD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum balfourii,698586.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum balfourii'],6,3,7.5 151948,6810,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,DBODJJZRZFZBBD-XXYWQWTJSA-N,"InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19+,20+,21-,22-,23+,24-,25+/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H]([C@H](OC)[C@H]23)[C@@H]14,C25H41NO6,pos_1_1proton1methanol,451.293388032,DBODJJZRZFZBBD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum lethale,6131432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum lethale'],6,3,7.5 151949,6810,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,DBODJJZRZFZBBD-UHFFFAOYSA-N,"InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3",CCN1CC2(COC)CCC(OC)C34C5CC6C(OC)CC(O)(C5C6O)C(C(OC)C23)C14,C25H41NO6,pos_1_1proton1methanol,451.2933880319999,DBODJJZRZFZBBD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum japonicum,5511352.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum japonicum'],6,3,7.5 151950,6810,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,DBODJJZRZFZBBD-UHFFFAOYSA-N,"InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3",CCN1CC2(COC)CCC(OC)C34C5CC6C(OC)CC(O)(C5C6O)C(C(OC)C23)C14,C25H41NO6,pos_1_1proton1methanol,451.2933880319999,DBODJJZRZFZBBD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum carmichaelii,549536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum carmichaelii'],6,3,7.5 151951,6810,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,DBODJJZRZFZBBD-UHFFFAOYSA-N,"InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3",CCN1CC2(COC)CCC(OC)C34C5CC6C(OC)CC(O)(C5C6O)C(C(OC)C23)C14,C25H41NO6,pos_1_1proton1methanol,451.2933880319999,DBODJJZRZFZBBD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum triphyllum,6131530.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum triphyllum'],6,3,7.5 151952,6810,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,DBODJJZRZFZBBD-RIVIBFSZSA-N,"InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19+,20+,21-,22?,23+,24-,25+/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@]34C1[C@H]([C@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C25H41NO6,pos_1_1proton1methanol,451.2933880319999,DBODJJZRZFZBBD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum henryi,5511349.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum henryi'],6,3,7.5 151953,6810,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,DBODJJZRZFZBBD-UHFFFAOYSA-N,"InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3",CCN1CC2(COC)CCC(OC)C34C5CC6C(OC)CC(O)(C5C6O)C(C(OC)C23)C14,C25H41NO6,pos_1_1proton1methanol,451.2933880319999,DBODJJZRZFZBBD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum kongboense,723190.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum kongboense'],6,3,7.5 151954,6810,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,DBODJJZRZFZBBD-ISYHQGQGSA-N,"InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3/t13?,14-,15+,16?,17-,18?,19?,20?,21-,22?,23+,24-,25?/m1/s1",CCN1C[C@]2(COC)CCC(OC)C34C1C(C(OC)[C@@H]32)[C@@]1(O)C[C@H](OC)C2C[C@@H]4[C@@H]1C2O,C25H41NO6,pos_1_1proton1methanol,451.293388032,DBODJJZRZFZBBD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum kusnezoffii,141633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum kusnezoffii'],6,3,7.5 151955,6810,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,DBODJJZRZFZBBD-RIVIBFSZSA-N,"InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19+,20+,21-,22?,23+,24-,25+/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@]34C1[C@H]([C@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C25H41NO6,pos_1_1proton1methanol,451.2933880319999,DBODJJZRZFZBBD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Staphisagria macrosperma,969162.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Staphisagria'],['Staphisagria macrosperma'],6,3,7.5 151956,6810,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,DBODJJZRZFZBBD-RIVIBFSZSA-N,"InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19+,20+,21-,22?,23+,24-,25+/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@]34C1[C@H]([C@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C25H41NO6,pos_1_1proton1methanol,451.2933880319999,DBODJJZRZFZBBD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium staphisagria,969162.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Staphisagria'],['Staphisagria macrosperma'],6,3,7.5 151957,6810,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,DBODJJZRZFZBBD-VYPGSPFBSA-N,"InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3/t13-,14-,15-,16-,17-,18+,19-,20-,21-,22-,23+,24-,25+/m1/s1",CCN1C[C@]2(COC)CC[C@@H](OC)[C@@]34[C@@H]5C[C@H]6[C@@H](O)[C@@H]5[C@](O)(C[C@H]6OC)[C@@H]([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO6,pos_1_1proton1methanol,451.293388032,DBODJJZRZFZBBD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium stapeliosum,6131808.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium stapeliosum'],6,3,7.5 151958,6810,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,DBODJJZRZFZBBD-RIVIBFSZSA-N,"InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19+,20+,21-,22?,23+,24-,25+/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@]34C1[C@H]([C@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C25H41NO6,pos_1_1proton1methanol,451.2933880319999,DBODJJZRZFZBBD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum,756111.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Unknown'],6,3,7.5 151959,6810,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,DBODJJZRZFZBBD-RIVIBFSZSA-N,"InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19+,20+,21-,22?,23+,24-,25+/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@]34C1[C@H]([C@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C25H41NO6,pos_1_1proton1methanol,451.2933880319999,DBODJJZRZFZBBD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum episcopale,50065.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum episcopale'],6,3,7.5 151960,6810,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,JBMHRENUZHIXEX-UHFFFAOYSA-N,"InChI=1S/C25H41NO6/c1-7-26-12-22(2)9-8-16(30-4)24-14-10-13-15(29-3)11-23(27,17(14)18(13)31-5)25(28,21(24)26)20(32-6)19(22)24/h13-21,27-28H,7-12H2,1-6H3",CCN1CC2(C)CCC(OC)C34C5CC6C(OC)CC(O)(C5C6OC)C(O)(C(OC)C23)C14,C25H41NO6,pos_1_1proton1methanol,451.293388032,JBMHRENUZHIXEX,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium grandiflorum,1004833.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium grandiflorum'],6,3,7.5 151961,6810,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,JBMHRENUZHIXEX-KCOJYJFYSA-N,"InChI=1S/C25H41NO6/c1-7-26-12-22(2)9-8-16(30-4)24-14-10-13-15(29-3)11-23(27,17(14)18(13)31-5)25(28,21(24)26)20(32-6)19(22)24/h13-21,27-28H,7-12H2,1-6H3/t13-,14-,15+,16+,17-,18-,19+,20+,21-,22-,23-,24-,25+/m0/s1",CCN1C[C@]2(C)CC[C@@H](OC)[C@@]34[C@@H]2[C@@H](OC)[C@@](O)([C@@H]13)[C@]1(O)C[C@@H](OC)[C@@H]2C[C@H]4[C@H]1[C@H]2OC,C25H41NO6,pos_1_1proton1methanol,451.293388032,JBMHRENUZHIXEX,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium dissectum,6131641.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium dissectum'],6,3,7.5 151962,6810,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,JBMHRENUZHIXEX-UHFFFAOYSA-N,"InChI=1S/C25H41NO6/c1-7-26-12-22(2)9-8-16(30-4)24-14-10-13-15(29-3)11-23(27,17(14)18(13)31-5)25(28,21(24)26)20(32-6)19(22)24/h13-21,27-28H,7-12H2,1-6H3",CCN1CC2(C)CCC(OC)C34C5CC6C(OC)CC(O)(C5C6OC)C(O)(C(OC)C23)C14,C25H41NO6,pos_1_1proton1methanol,451.293388032,JBMHRENUZHIXEX,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium confusum,6131625.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium confusum'],6,3,7.5 151963,6810,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,VBOMZXYQMCEYLU-XXYWQWTJSA-N,"InChI=1S/C25H41NO6/c1-6-26-11-23(12-27)8-7-16(30-3)25-14-9-13-15(29-2)10-24(28,17(14)19(13)31-4)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19+,20+,21-,22-,23+,24-,25+/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H]([C@H](OC)[C@H]23)[C@@H]14,C25H41NO6,pos_1_1proton1methanol,451.293388032,VBOMZXYQMCEYLU,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum septentrionale,586782.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum septentrionale'],6,3,7.5 151964,6810,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,DBODJJZRZFZBBD-UHFFFAOYSA-N,"InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3",CCN1CC2(COC)CCC(OC)C34C5CC6C(OC)CC(O)(C5C6O)C(C(OC)C23)C14,C25H41NO6,pos_1_1proton1methanol,451.2933880319999,DBODJJZRZFZBBD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum tatsienense,413958.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum tatsienense'],6,3,7.5 151965,6810,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,DBODJJZRZFZBBD-RIVIBFSZSA-N,"InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19+,20+,21-,22?,23+,24-,25+/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@]34C1[C@H]([C@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C25H41NO6,pos_1_1proton1methanol,451.2933880319999,DBODJJZRZFZBBD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum sungpanense,1042521.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum sungpanense'],6,3,7.5 151966,6810,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,DBODJJZRZFZBBD-XXYWQWTJSA-N,"InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19+,20+,21-,22-,23+,24-,25+/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H]([C@H](OC)[C@H]23)[C@@H]14,C25H41NO6,pos_1_1proton1methanol,451.293388032,DBODJJZRZFZBBD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum transsectum,909685.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum transsectum'],6,3,7.5 151967,6810,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,DBODJJZRZFZBBD-RIVIBFSZSA-N,"InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19+,20+,21-,22?,23+,24-,25+/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@]34C1[C@H]([C@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C25H41NO6,pos_1_1proton1methanol,451.2933880319999,DBODJJZRZFZBBD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum napellus,586780.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum napellus'],6,3,7.5 151968,6810,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,DBODJJZRZFZBBD-RIVIBFSZSA-N,"InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19+,20+,21-,22?,23+,24-,25+/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@]34C1[C@H]([C@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C25H41NO6,pos_1_1proton1methanol,451.2933880319999,DBODJJZRZFZBBD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum napellus,586780.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum napellus'],6,3,7.5 151969,6810,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,DBODJJZRZFZBBD-XXYWQWTJSA-N,"InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19+,20+,21-,22-,23+,24-,25+/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H]([C@H](OC)[C@H]23)[C@@H]14,C25H41NO6,pos_1_1proton1methanol,451.293388032,DBODJJZRZFZBBD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum transsectum,909685.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum transsectum'],6,3,7.5 151970,6810,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,DBODJJZRZFZBBD-RIVIBFSZSA-N,"InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19+,20+,21-,22?,23+,24-,25+/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@]34C1[C@H]([C@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C25H41NO6,pos_1_1proton1methanol,451.2933880319999,DBODJJZRZFZBBD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum sungpanense,1042521.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum sungpanense'],6,3,7.5 151971,6810,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,DBODJJZRZFZBBD-RIVIBFSZSA-N,"InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19+,20+,21-,22?,23+,24-,25+/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@]34C1[C@H]([C@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C25H41NO6,pos_1_1proton1methanol,451.2933880319999,DBODJJZRZFZBBD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum henryi,5511349.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum henryi'],6,3,7.5 151972,6810,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,DBODJJZRZFZBBD-RIVIBFSZSA-N,"InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19+,20+,21-,22?,23+,24-,25+/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@]34C1[C@H]([C@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C25H41NO6,pos_1_1proton1methanol,451.2933880319999,DBODJJZRZFZBBD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum hemsleyanum,511674.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum hemsleyanum'],6,3,7.5 151973,6810,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,DBODJJZRZFZBBD-WDTQSPAGSA-N,"InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18?,19+,20+,21-,22?,23+,24-,25?/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)C34C1C([C@H](OC)[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C25H41NO6,pos_1_1proton1methanol,451.293388032,DBODJJZRZFZBBD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum geniculatum,97187.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum geniculatum'],6,3,7.5 151974,6810,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,DBODJJZRZFZBBD-RIVIBFSZSA-N,"InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19+,20+,21-,22?,23+,24-,25+/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@]34C1[C@H]([C@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C25H41NO6,pos_1_1proton1methanol,451.2933880319999,DBODJJZRZFZBBD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum forrestii,556432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum forrestii'],6,3,7.5 151975,6810,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,DBODJJZRZFZBBD-RIVIBFSZSA-N,"InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19+,20+,21-,22?,23+,24-,25+/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@]34C1[C@H]([C@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C25H41NO6,pos_1_1proton1methanol,451.2933880319999,DBODJJZRZFZBBD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum nevadense,3944952.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum burnatii'],6,3,7.5 151976,6810,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,DBODJJZRZFZBBD-RIVIBFSZSA-N,"InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19+,20+,21-,22?,23+,24-,25+/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@]34C1[C@H]([C@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C25H41NO6,pos_1_1proton1methanol,451.2933880319999,DBODJJZRZFZBBD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum burnatii,3944952.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum burnatii'],6,3,7.5 151977,6810,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,DBODJJZRZFZBBD-XXYWQWTJSA-N,"InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19+,20+,21-,22-,23+,24-,25+/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H]([C@H](OC)[C@H]23)[C@@H]14,C25H41NO6,pos_1_1proton1methanol,451.293388032,DBODJJZRZFZBBD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum balfourii,698586.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum balfourii'],6,3,7.5 151978,6810,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,DBODJJZRZFZBBD-XXYWQWTJSA-N,"InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19+,20+,21-,22-,23+,24-,25+/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H]([C@H](OC)[C@H]23)[C@@H]14,C25H41NO6,pos_1_1proton1methanol,451.293388032,DBODJJZRZFZBBD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum lethale,6131432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum lethale'],6,3,7.5 151979,6810,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,DBODJJZRZFZBBD-UHFFFAOYSA-N,"InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3",CCN1CC2(COC)CCC(OC)C34C5CC6C(OC)CC(O)(C5C6O)C(C(OC)C23)C14,C25H41NO6,pos_1_1proton1methanol,451.2933880319999,DBODJJZRZFZBBD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum japonicum,5511352.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum japonicum'],6,3,7.5 151980,6810,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,DBODJJZRZFZBBD-UHFFFAOYSA-N,"InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3",CCN1CC2(COC)CCC(OC)C34C5CC6C(OC)CC(O)(C5C6O)C(C(OC)C23)C14,C25H41NO6,pos_1_1proton1methanol,451.2933880319999,DBODJJZRZFZBBD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum carmichaelii,549536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum carmichaelii'],6,3,7.5 151981,6810,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,DBODJJZRZFZBBD-UHFFFAOYSA-N,"InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3",CCN1CC2(COC)CCC(OC)C34C5CC6C(OC)CC(O)(C5C6O)C(C(OC)C23)C14,C25H41NO6,pos_1_1proton1methanol,451.2933880319999,DBODJJZRZFZBBD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum triphyllum,6131530.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum triphyllum'],6,3,7.5 151982,6810,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,DBODJJZRZFZBBD-UHFFFAOYSA-N,"InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3",CCN1CC2(COC)CCC(OC)C34C5CC6C(OC)CC(O)(C5C6O)C(C(OC)C23)C14,C25H41NO6,pos_1_1proton1methanol,451.2933880319999,DBODJJZRZFZBBD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum kongboense,723190.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum kongboense'],6,3,7.5 151983,6810,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,DBODJJZRZFZBBD-UHFFFAOYSA-N,"InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3",CCN1CC2(COC)CCC(OC)C34C5CC6C(OC)CC(O)(C5C6O)C(C(OC)C23)C14,C25H41NO6,pos_1_1proton1methanol,451.2933880319999,DBODJJZRZFZBBD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum tatsienense,413958.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum tatsienense'],6,3,7.5 151984,6810,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,DBODJJZRZFZBBD-ISYHQGQGSA-N,"InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3/t13?,14-,15+,16?,17-,18?,19?,20?,21-,22?,23+,24-,25?/m1/s1",CCN1C[C@]2(COC)CCC(OC)C34C1C(C(OC)[C@@H]32)[C@@]1(O)C[C@H](OC)C2C[C@@H]4[C@@H]1C2O,C25H41NO6,pos_1_1proton1methanol,451.293388032,DBODJJZRZFZBBD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum kusnezoffii,141633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum kusnezoffii'],6,3,7.5 151985,6810,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,DBODJJZRZFZBBD-RIVIBFSZSA-N,"InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19+,20+,21-,22?,23+,24-,25+/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@]34C1[C@H]([C@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C25H41NO6,pos_1_1proton1methanol,451.2933880319999,DBODJJZRZFZBBD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Staphisagria macrosperma,969162.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Staphisagria'],['Staphisagria macrosperma'],6,3,7.5 151986,6810,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,DBODJJZRZFZBBD-RIVIBFSZSA-N,"InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19+,20+,21-,22?,23+,24-,25+/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@]34C1[C@H]([C@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C25H41NO6,pos_1_1proton1methanol,451.2933880319999,DBODJJZRZFZBBD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium staphisagria,969162.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Staphisagria'],['Staphisagria macrosperma'],6,3,7.5 151987,6810,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,DBODJJZRZFZBBD-VYPGSPFBSA-N,"InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3/t13-,14-,15-,16-,17-,18+,19-,20-,21-,22-,23+,24-,25+/m1/s1",CCN1C[C@]2(COC)CC[C@@H](OC)[C@@]34[C@@H]5C[C@H]6[C@@H](O)[C@@H]5[C@](O)(C[C@H]6OC)[C@@H]([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO6,pos_1_1proton1methanol,451.293388032,DBODJJZRZFZBBD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium stapeliosum,6131808.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium stapeliosum'],6,3,7.5 151988,6810,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,DBODJJZRZFZBBD-RIVIBFSZSA-N,"InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19+,20+,21-,22?,23+,24-,25+/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@]34C1[C@H]([C@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C25H41NO6,pos_1_1proton1methanol,451.2933880319999,DBODJJZRZFZBBD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum,756111.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Unknown'],6,3,7.5 151989,6810,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,DBODJJZRZFZBBD-RIVIBFSZSA-N,"InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19+,20+,21-,22?,23+,24-,25+/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@]34C1[C@H]([C@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C25H41NO6,pos_1_1proton1methanol,451.2933880319999,DBODJJZRZFZBBD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum episcopale,50065.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum episcopale'],6,3,7.5 151990,6810,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,DBODJJZRZFZBBD-WDTQSPAGSA-N,"InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18?,19+,20+,21-,22?,23+,24-,25?/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)C34C1C([C@H](OC)[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C25H41NO6,pos_1_1proton1methanol,451.293388032,DBODJJZRZFZBBD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum volubile,549540.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum volubile'],6,3,7.5 151991,6810,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,VBOMZXYQMCEYLU-XXYWQWTJSA-N,"InChI=1S/C25H41NO6/c1-6-26-11-23(12-27)8-7-16(30-3)25-14-9-13-15(29-2)10-24(28,17(14)19(13)31-4)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19+,20+,21-,22-,23+,24-,25+/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H]([C@H](OC)[C@H]23)[C@@H]14,C25H41NO6,pos_1_1proton1methanol,451.293388032,VBOMZXYQMCEYLU,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum lycoctonum,14055.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum lycoctonum'],6,3,7.5 151992,6810,812,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,DFEZSQMRHFPRME-LNEJQENQSA-N,"InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(27)25-14-9-13-15(30-3)10-24(32-5,17(14)19(13)28)18(22(25)26)20(31-4)21(23)25/h13-22,27-28H,6-12H2,1-5H3/t13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23-,24-,25-/m0/s1",CCN1C[C@]2(COC)CC[C@H](O)[C@@]34[C@@H]2[C@@H](OC)[C@@H]([C@@H]13)[C@]1(OC)C[C@H](OC)[C@@H]2C[C@H]4[C@H]1[C@H]2O,C25H41NO6,pos_1_1proton1methanol,451.293388032,DFEZSQMRHFPRME,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium hohenackeri,591154.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitella'],['Aconitella hohenackeri'],6,3,7.5 151939,6802,-1,,,,0.0,MS1_match,PHPIFKHJYINVDM-UHFFFAOYSA-O,"InChI=1S/C20H19NO5/c1-21-8-7-12-10-17(25-3)18(26-4)11-14(12)19(21)20(23)13-5-6-16(24-2)15(22)9-13/h5-11H,1-4H3/p+1",COc1ccc(C(=O)c2c3cc(OC)c(OC)cc3cc[n+]2C)cc1O,C20H20NO5+,pos_1_1sodium1acetonitrile,354.13359916009,PHPIFKHJYINVDM,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Thalictrum przewalskii,782787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum przewalskii'],6,0,6.0 151940,6802,-1,,,,0.0,MS1_match,ATLNVDUTPJBOAQ-UHFFFAOYSA-O,"InChI=1S/C20H19NO5/c1-21-8-7-12-9-17(25-3)18(26-4)11-14(12)19(21)20(23)13-5-6-15(22)16(10-13)24-2/h5-11H,1-4H3/p+1",COc1cc(C(=O)c2c3cc(OC)c(OC)cc3cc[n+]2C)ccc1O,C20H20NO5+,pos_1_1sodium1acetonitrile,354.13359916009,ATLNVDUTPJBOAQ,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Thalictrum przewalskii,782787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum przewalskii'],6,0,6.0 151929,6799,-1,,,,0.0,MS1_match,SBLZVJIHPWRSQQ-UHFFFAOYSA-N,"InChI=1S/C20H24O6/c1-24-17-10-13(5-6-16(17)23)19-15(11-22)14-8-12(4-3-7-21)9-18(25-2)20(14)26-19/h5-6,8-10,15,19,21-23H,3-4,7,11H2,1-2H3",COc1cc(C2Oc3c(OC)cc(CCCO)cc3C2CO)ccc1O,C20H24O6,pos_2MNa,360.15728848799995,SBLZVJIHPWRSQQ,Shikimates and Phenylpropanoids,Lignans,Neolignans,Clematis delavayi,72769.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis delavayi'],8,0,8.0 151930,6799,-1,,,,0.0,MS1_match,SBLZVJIHPWRSQQ-UHFFFAOYSA-N,"InChI=1S/C20H24O6/c1-24-17-10-13(5-6-16(17)23)19-15(11-22)14-8-12(4-3-7-21)9-18(25-2)20(14)26-19/h5-6,8-10,15,19,21-23H,3-4,7,11H2,1-2H3",COc1cc(C2Oc3c(OC)cc(CCCO)cc3C2CO)ccc1O,C20H24O6,pos_2MNa,360.15728848799995,SBLZVJIHPWRSQQ,Shikimates and Phenylpropanoids,Lignans,Neolignans,Clematis delavayi,72769.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis delavayi'],8,0,8.0 151928,6798,-1,,,,0.0,MS1_match,GWMRACWLCOWLPK-UHFFFAOYSA-N,"InChI=1S/C30H40N2O/c1-28-10-4-11-30-25-14-20-13-23-27(30)32(18-28)24(26(28)30)16-29(23,25)15-21(20)17-33-22-7-5-19(6-8-22)9-12-31(2)3/h5-8,15,20,23-27H,4,9-14,16-18H2,1-3H3",CN(C)CCc1ccc(OCC2=CC34CC5C6C7(C)CCCC68C(C3CC2CC48)N5C7)cc1,C30H40N2O,pos_1_minus1proton2sodium,444.3140639,GWMRACWLCOWLPK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum seravschanicum,395973.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum seravschanicum'],6,0,6.0 151926,6795,83,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,ZBCYJHCFJNSGND-NGSPFIJSSA-N,"InChI=1S/C41H56N2O11/c1-8-30(45)54-32-24-18-25-31(32)39(53-10-3,19-27(24)49-5)41(48)34(51-7)33-38(16-15-28(50-6)40(25,33)37(41)42(9-2)20-38)21-52-36(47)23-13-11-12-14-26(23)43-29(44)17-22(4)35(43)46/h11-14,22,24-25,27-28,31-34,37,48H,8-10,15-21H2,1-7H3/t22-,24+,25+,27-,28-,31+,32-,33+,34-,37-,38-,39+,40-,41+/m0/s1",CCO[C@]12C[C@H](OC)[C@H]3C[C@H]([C@@H]1[C@H]3OC(=O)CC)[C@@]13[C@@H](OC)CC[C@@]4(COC(=O)c5ccccc5N5C(=O)C[C@H](C)C5=O)CN(CC)[C@@H]1[C@]2(O)[C@@H](OC)[C@H]43,C41H56N2O11,pos_2_2proton2acetonitrile,752.388410612,ZBCYJHCFJNSGND,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium elatum,518362.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium elatum'],6,3,7.5 151927,6795,83,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,JOSBTZULDGZZRE-BHKLQMGOSA-N,"InChI=1S/C41H56N2O11/c1-8-21(3)35(46)54-31-24-17-25-30(31)39(48,18-27(24)50-5)41(49)33(52-7)32-38(15-14-28(51-6)40(25,32)37(41)42(9-2)19-38)20-53-36(47)23-12-10-11-13-26(23)43-29(44)16-22(4)34(43)45/h10-13,21-22,24-25,27-28,30-33,37,48-49H,8-9,14-20H2,1-7H3/t21-,22-,24+,25+,27-,28-,30+,31-,32+,33-,37-,38-,39+,40-,41-/m0/s1",CC[C@H](C)C(=O)O[C@H]1[C@@H]2C[C@@H]3[C@H]1[C@](O)(C[C@@H]2OC)[C@]1(O)[C@@H](OC)[C@@H]2[C@@]4(COC(=O)c5ccccc5N5C(=O)C[C@H](C)C5=O)CC[C@H](OC)[C@@]32[C@@H]1N(CC)C4,C41H56N2O11,pos_2_2proton2acetonitrile,752.388410612,JOSBTZULDGZZRE,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium elatum,518362.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium elatum'],6,3,7.5 151921,6792,222,Terpenoids,Sesquiterpenoids,Other Octadecanoids,0.27948835,ISDB,RRFWQKAQYSNZEU-PYADLVFVSA-N,"InChI=1S/C17H24O5/c1-9-4-5-12-10(2)16(20)22-15(12)17(8-21-11(3)18)13(9)6-7-14(17)19/h9-10,12-13,15H,4-8H2,1-3H3/t9-,10-,12-,13-,15+,17-/m0/s1",CC(=O)OC[C@@]12C(=O)CC[C@H]1[C@@H](C)CC[C@H]1[C@H](C)C(=O)O[C@H]12,C17H24O5,,308.162373868,RRFWQKAQYSNZEU,Terpenoids,Sesquiterpenoids,Pseudoguaiane sesquiterpenoids,Rudbeckia mollis,36535.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Rudbeckia'],['Rudbeckia mollis'],4,2,6.117953419685364 151796,6791,953,Terpenoids,Fatty acyls,Fatty ethers,0.6641893,ISDB,ZHADMZSKNJUERU-BWLZIVRNSA-N,"InChI=1S/C19H30O3/c1-3-4-5-6-8-11-14-17-22-18-15-12-9-7-10-13-16-19(20)21-2/h4-5,8,11,14-15,17-18H,3,6-7,9-10,12-13,16H2,1-2H3/b5-4-,11-8-,17-14+,18-15+",CC/C=C\C/C=C\C=C\O/C=C/CCCCCCC(=O)OC,C19H30O3,,306.21949482,ZHADMZSKNJUERU,Fatty acids,Fatty acyls,Fatty ethers,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],4,3,8.156757116317749 151793,6790,-1,,,,0.0,MS1_match,XFMPEFQVKDOPPT-UYJXDEQJSA-N,"InChI=1S/C25H34O12/c1-34-17-10-14(5-6-15(17)29)21(30)19(11-27)35-16-7-4-13(3-2-8-26)9-18(16)36-25-24(33)23(32)22(31)20(12-28)37-25/h4-7,9-10,19-33H,2-3,8,11-12H2,1H3/t19-,20-,21-,22-,23+,24-,25-/m1/s1",COc1cc([C@@H](O)[C@@H](CO)Oc2ccc(CCCO)cc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C25H34O12,pos_2_2proton2acetonitrile,526.205026528,XFMPEFQVKDOPPT,Shikimates and Phenylpropanoids,Lignans,Neolignans,Lonicera gracilipes,920854.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera gracilipes'],7,0,7.0 151789,6789,242,Fatty acids,Sesquiterpenoids,Furans,0.22402363,ISDB,QNJUNTVTYKUFSX-WNGAPAKLSA-N,"InChI=1S/C23H26O3/c1-15(2)19-12-9-16(3)13-20(19)22-21(24)14-18(26-23(22)25)11-10-17-7-5-4-6-8-17/h4-8,10-11,13-15,19-20,24H,9,12H2,1-3H3/b11-10+/t19-,20+/m1/s1",CC1=C[C@H](c2c(O)cc(/C=C/c3ccccc3)oc2=O)[C@@H](C(C)C)CC1,C23H26O3,,350.188194692,QNJUNTVTYKUFSX,Shikimates and Phenylpropanoids,Styrylpyrones,Kavalactones and derivatives,Alpinia hainanensis,718420.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Alpinia'],['Alpinia hainanensis'],4,0,4.896094501018524 151790,6789,242,Fatty acids,Sesquiterpenoids,Furans,0.22402363,ISDB,QNJUNTVTYKUFSX-WNGAPAKLSA-N,"InChI=1S/C23H26O3/c1-15(2)19-12-9-16(3)13-20(19)22-21(24)14-18(26-23(22)25)11-10-17-7-5-4-6-8-17/h4-8,10-11,13-15,19-20,24H,9,12H2,1-3H3/b11-10+/t19-,20+/m1/s1",CC1=C[C@H](c2c(O)cc(/C=C/c3ccccc3)oc2=O)[C@@H](C(C)C)CC1,C23H26O3,,350.188194692,QNJUNTVTYKUFSX,Shikimates and Phenylpropanoids,Styrylpyrones,Kavalactones and derivatives,Alpinia katsumadai,6024866.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Alpinia'],['Alpinia katsumadae'],4,0,4.896094501018524 151788,6787,986,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,HCGUNEDCTVLVNP-HVLDEAOBSA-N,"InChI=1S/C27H38O10/c1-15(2)8-22(29)35-14-27(32)21(36-23(30)9-16(3)4)11-20-19(12-33-18(7)28)13-34-26(25(20)27)37-24(31)10-17(5)6/h10-11,13,15-16,21,25-26,32H,8-9,12,14H2,1-7H3/t21-,25+,26-,27+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)C=C(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]2(O)COC(=O)CC(C)C,C27H38O10,pos_2_2proton2acetonitrile,522.2464974159999,HCGUNEDCTVLVNP,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana sorbifolia,445623.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana sorbifolia'],6,3,7.5 151787,6785,25,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.22248583,ISDB,YZEQIXSOBPPRCV-CKMYOLOSSA-N,"InChI=1S/C14H22O10/c15-3-5-8(17)11(20)12(21)14(23-5)24-13-6-4(1-2-22-13)7(16)10(19)9(6)18/h1-2,4-21H,3H2/t4-,5-,6+,7+,8-,9-,10-,11+,12-,13+,14+/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C14H22O10,,350.121296904,YZEQIXSOBPPRCV,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Retzia capensis,637426.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Stilbaceae'],['Unknown'],['Retzia'],['Retzia capensis'],4,3,6.389943301677704 151786,6778,1251,,,,0.20522572,ISDB,IFSGOFCDQVTXIU-RNPORBBMSA-N,"InChI=1S/C34H58O4/c1-5-9-11-13-15-17-19-23-29(7-3)27-37-33(35)31-25-21-22-26-32(31)34(36)38-28-30(8-4)24-20-18-16-14-12-10-6-2/h21-22,25-26,29-30H,5-20,23-24,27-28H2,1-4H3/t29-,30+",CCCCCCCCC[C@@H](CC)COC(=O)c1ccccc1C(=O)OC[C@@H](CC)CCCCCCCCC,C34H58O4,,530.433510336,IFSGOFCDQVTXIU,,,,Nepeta clarkei,6082680.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Nepeta'],['Nepeta clarkei'],4,0,4.8209028840065 151780,6774,-1,,,,0.0,MS1_match,PEUHZLSMLRCFJM-SBIRQKAGSA-N,"InChI=1S/C23H37NO4/c1-5-24-11-21(2)7-6-17(25)23-13-8-12-15(27-3)10-22(26,18(13)19(12)28-4)14(20(23)24)9-16(21)23/h12-20,25-26H,5-11H2,1-4H3/t12-,13-,14+,15+,16-,17+,18-,19+,20-,21-,22+,23-/m1/s1",CCN1C[C@@]2(C)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C23H37NO4,pos_1_1proton1methanol,391.272258664,PEUHZLSMLRCFJM,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum karakolicum,44345.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum karakolicum'],6,0,6.0 151781,6774,-1,,,,0.0,MS1_match,NGWMZXLZSGJSRI-VHNKBEDGSA-N,"InChI=1S/C23H37NO4/c1-5-24-11-21(2)7-6-17(28-4)23-13-8-12-15(27-3)10-22(26,18(13)19(12)25)14(20(23)24)9-16(21)23/h12-20,25-26H,5-11H2,1-4H3/t12-,13-,14+,15+,16-,17+,18-,19+,20-,21+,22+,23-/m1/s1",CCN1C[C@]2(C)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C23H37NO4,pos_1_1proton1methanol,391.272258664,NGWMZXLZSGJSRI,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum variegatum,586783.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum variegatum'],6,0,6.0 151782,6774,-1,,,,0.0,MS1_match,NGWMZXLZSGJSRI-VHNKBEDGSA-N,"InChI=1S/C23H37NO4/c1-5-24-11-21(2)7-6-17(28-4)23-13-8-12-15(27-3)10-22(26,18(13)19(12)25)14(20(23)24)9-16(21)23/h12-20,25-26H,5-11H2,1-4H3/t12-,13-,14+,15+,16-,17+,18-,19+,20-,21+,22+,23-/m1/s1",CCN1C[C@]2(C)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C23H37NO4,pos_1_1proton1methanol,391.272258664,NGWMZXLZSGJSRI,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum vilmorinianum,976183.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum vilmorinianum'],6,0,6.0 151783,6774,-1,,,,0.0,MS1_match,NGWMZXLZSGJSRI-UHFFFAOYSA-N,"InChI=1S/C23H37NO4/c1-5-24-11-21(2)7-6-17(28-4)23-13-8-12-15(27-3)10-22(26,18(13)19(12)25)14(20(23)24)9-16(21)23/h12-20,25-26H,5-11H2,1-4H3",CCN1CC2(C)CCC(OC)C34C5CC6C(OC)CC(O)(C(CC23)C14)C5C6O,C23H37NO4,pos_1_1proton1methanol,391.272258664,NGWMZXLZSGJSRI,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum liljestrandii,556434.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum liljestrandii'],6,0,6.0 151784,6774,-1,,,,0.0,MS1_match,NGWMZXLZSGJSRI-NWVBQUHUSA-N,"InChI=1S/C23H37NO4/c1-5-24-11-21(2)7-6-17(28-4)23-13-8-12-15(27-3)10-22(26,18(13)19(12)25)14(20(23)24)9-16(21)23/h12-20,25-26H,5-11H2,1-4H3/t12-,13-,14-,15+,16+,17-,18-,19+,20+,21-,22+,23+/m0/s1",CCN1C[C@]2(C)CC[C@H](OC)[C@@]34[C@@H]2C[C@@H]([C@@H]13)[C@]1(O)C[C@@H](OC)[C@@H]2C[C@H]4[C@H]1[C@@H]2O,C23H37NO4,pos_1_1proton1methanol,391.272258664,NGWMZXLZSGJSRI,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum hemsleyanum var. circinatum,97183.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum hemsleyanum'],6,0,6.0 151785,6774,-1,,,,0.0,MS1_match,NGWMZXLZSGJSRI-VHNKBEDGSA-N,"InChI=1S/C23H37NO4/c1-5-24-11-21(2)7-6-17(28-4)23-13-8-12-15(27-3)10-22(26,18(13)19(12)25)14(20(23)24)9-16(21)23/h12-20,25-26H,5-11H2,1-4H3/t12-,13-,14+,15+,16-,17+,18-,19+,20-,21+,22+,23-/m1/s1",CCN1C[C@]2(C)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C23H37NO4,pos_1_1proton1methanol,391.272258664,NGWMZXLZSGJSRI,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum raddeanum,6131489.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum raddeanum'],6,0,6.0 151682,6773,28,Polyketides,Aromatic polyketides,Aromatic polyketides with side chains,0.36147094,ISDB,TZHMUUDTNYTFMW-AVQMFFATSA-N,"InChI=1S/C23H32O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22(25)20(24)18-21(23(19)26)27-4-2/h3,6-7,9-10,18,25H,1,4-5,8,11-17H2,2H3/b7-6+,10-9+",C=CC/C=C/C/C=C/CCCCCCCC1=C(O)C(=O)C=C(OCC)C1=O,C23H32O4,,372.230059504,TZHMUUDTNYTFMW,Polyketides,Aromatic polyketides,Aromatic polyketides with side chains,Sorghum bicolor,552986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Sorghum'],['Sorghum bicolor'],4,3,6.945883750915527 151667,6771,-1,,,,0.34157482,ISDB,XXZAOMJCZBZKPV-WEDXCCLWSA-N,"InChI=1S/C10H17Cl/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8H,4-6H2,1-3H3/t7-,8+,10+/m1/s1",CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](Cl)C2,C10H17Cl,,172.101878224,XXZAOMJCZBZKPV,Terpenoids,Monoterpenoids,Camphane monoterpenoids,Thymbra capitata,27200.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Thymbra'],['Thymbra capitata'],4,0,5.366299271583557 151668,6771,-1,,,,0.34157482,ISDB,XXZAOMJCZBZKPV-WEDXCCLWSA-N,"InChI=1S/C10H17Cl/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8H,4-6H2,1-3H3/t7-,8+,10+/m1/s1",CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](Cl)C2,C10H17Cl,,172.101878224,XXZAOMJCZBZKPV,Terpenoids,Monoterpenoids,Camphane monoterpenoids,Thymus martinezii,27200.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Thymbra'],['Thymbra capitata'],4,0,5.366299271583557 151669,6771,-1,,,,0.34157482,ISDB,XXZAOMJCZBZKPV-WEDXCCLWSA-N,"InChI=1S/C10H17Cl/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8H,4-6H2,1-3H3/t7-,8+,10+/m1/s1",CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](Cl)C2,C10H17Cl,,172.101878224,XXZAOMJCZBZKPV,Terpenoids,Monoterpenoids,Camphane monoterpenoids,Thymus capitatus,27200.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Thymbra'],['Thymbra capitata'],4,0,5.366299271583557 151666,6767,-1,,,,0.0,MS1_match,ZYURHZPYMFLWSH-UHFFFAOYSA-N,"InChI=1S/C28H58/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3",CCCCCCCCCCCCCCCCCCCCCCCCCCCC,C28H58,pos_1_minus1proton2sodium,394.453851856,ZYURHZPYMFLWSH,Fatty acids,Fatty acyls,Hydrocarbons,Clematis drummondii,384647.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis drummondii'],8,0,8.0 151663,6765,-1,,,,0.28206837,ISDB,WMAKRJDWSGWHCN-YELHDDRCSA-N,"InChI=1S/C39H60O4/c1-25(2)28(24-36(42)34(40)18-11-27-12-19-35(41)37(23-27)43-6)13-10-26(3)31-16-17-32-30-15-14-29-9-7-8-21-38(29,4)33(30)20-22-39(31,32)5/h11-12,18-19,23,25-26,28-33,36,41-42H,7-10,13-17,20-22,24H2,1-6H3/b18-11-/t26-,28+,29?,30+,31-,32+,33+,36?,38+,39-/m1/s1",COc1cc(/C=C\C(=O)C(O)C[C@H](CC[C@@H](C)[C@H]2CC[C@H]3[C@@H]4CCC5CCCC[C@]5(C)[C@H]4CC[C@]23C)C(C)C)ccc1O,C39H60O4,,592.4491604,WMAKRJDWSGWHCN,Terpenoids,Steroids,Cholestane steroids,Coix lacryma-jobi,83448.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Coix'],['Coix lacryma-jobi'],4,0,5.1282734870910645 151650,6762,94,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.44263852,ISDB,MPSGDHOYFIUPSO-MDAKJLGTSA-N,"InChI=1S/C33H56O14/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(36)43-19-22(35)20-44-32-31(42)29(40)27(38)24(47-32)21-45-33-30(41)28(39)26(37)23(18-34)46-33/h3-4,6-7,9-10,22-24,26-35,37-42H,2,5,8,11-21H2,1H3/b4-3-,7-6-,10-9-/t22-,23-,24-,26+,27+,28+,29+,30-,31-,32-,33+/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C33H56O14,,676.367006472,MPSGDHOYFIUPSO,Fatty acids,Glycerolipids,Glycosylmonoacylglycerols,Guapira graciliflora,6038299.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Nyctaginaceae'],['Unknown'],['Guapira'],['Guapira graciliflora'],4,1,6.270554065704346 151651,6762,94,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.44263852,ISDB,MPSGDHOYFIUPSO-MDAKJLGTSA-N,"InChI=1S/C33H56O14/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(36)43-19-22(35)20-44-32-31(42)29(40)27(38)24(47-32)21-45-33-30(41)28(39)26(37)23(18-34)46-33/h3-4,6-7,9-10,22-24,26-35,37-42H,2,5,8,11-21H2,1H3/b4-3-,7-6-,10-9-/t22-,23-,24-,26+,27+,28+,29+,30-,31-,32-,33+/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C33H56O14,,676.367006472,MPSGDHOYFIUPSO,Fatty acids,Glycerolipids,Glycosylmonoacylglycerols,Zingiber officinale,1063866.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Zingiber'],['Zingiber officinale'],4,1,6.270554065704346 151652,6762,94,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.44263852,ISDB,MPSGDHOYFIUPSO-MDAKJLGTSA-N,"InChI=1S/C33H56O14/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(36)43-19-22(35)20-44-32-31(42)29(40)27(38)24(47-32)21-45-33-30(41)28(39)26(37)23(18-34)46-33/h3-4,6-7,9-10,22-24,26-35,37-42H,2,5,8,11-21H2,1H3/b4-3-,7-6-,10-9-/t22-,23-,24-,26+,27+,28+,29+,30-,31-,32-,33+/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C33H56O14,,676.367006472,MPSGDHOYFIUPSO,Fatty acids,Glycerolipids,Glycosylmonoacylglycerols,Sonchus arvensis,761934.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Sonchus'],['Sonchus arvensis'],4,1,6.270554065704346 151653,6762,94,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.44263852,ISDB,MPSGDHOYFIUPSO-MDAKJLGTSA-N,"InChI=1S/C33H56O14/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(36)43-19-22(35)20-44-32-31(42)29(40)27(38)24(47-32)21-45-33-30(41)28(39)26(37)23(18-34)46-33/h3-4,6-7,9-10,22-24,26-35,37-42H,2,5,8,11-21H2,1H3/b4-3-,7-6-,10-9-/t22-,23-,24-,26+,27+,28+,29+,30-,31-,32-,33+/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C33H56O14,,676.367006472,MPSGDHOYFIUPSO,Fatty acids,Glycerolipids,Glycosylmonoacylglycerols,Sonchus mauritanicus,572923.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Sonchus'],['Sonchus mauritanicus'],4,1,6.270554065704346 151654,6762,94,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.44263852,ISDB,MPSGDHOYFIUPSO-MDAKJLGTSA-N,"InChI=1S/C33H56O14/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(36)43-19-22(35)20-44-32-31(42)29(40)27(38)24(47-32)21-45-33-30(41)28(39)26(37)23(18-34)46-33/h3-4,6-7,9-10,22-24,26-35,37-42H,2,5,8,11-21H2,1H3/b4-3-,7-6-,10-9-/t22-,23-,24-,26+,27+,28+,29+,30-,31-,32-,33+/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C33H56O14,,676.367006472,MPSGDHOYFIUPSO,Fatty acids,Glycerolipids,Glycosylmonoacylglycerols,Premna microphylla,503286.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Premna'],['Premna microphylla'],4,1,6.270554065704346 151643,6757,-1,,,,0.0,MS1_match,QLASPINFLLNESN-UVBAXCRRSA-N,"InChI=1S/C15H22O4/c1-8-5-9(16)6-10-11(17)7-12-13(15(8,10)4)14(2,3)19-18-12/h6,8-9,12-13,16H,5,7H2,1-4H3/t8-,9-,12-,13+,15+/m1/s1",C[C@@H]1C[C@@H](O)C=C2C(=O)C[C@H]3OOC(C)(C)[C@H]3[C@]21C,C15H22O4,pos_1_1proton1methanol,266.151809184,QLASPINFLLNESN,Terpenoids,Sesquiterpenoids,Nardosinane sesquiterpenoids,Nardostachys jatamansi,24101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Nardostachys'],['Nardostachys jatamansi'],6,0,6.0 151644,6757,-1,,,,0.0,MS1_match,AFMMLDAVYSFRHS-HGNGLJKMSA-N,"InChI=1S/C15H22O4/c1-14(2)9-6-7-15(3)8(4-5-10(16)19-15)11(12(9)14)13(17)18/h8-9,11-12H,4-7H2,1-3H3,(H,17,18)/t8-,9-,11-,12-,15-/m0/s1",CC1(C)[C@@H]2[C@@H](C(=O)O)[C@@H]3CCC(=O)O[C@@]3(C)CC[C@@H]21,C15H22O4,pos_1_1proton1methanol,266.151809184,AFMMLDAVYSFRHS,Terpenoids,Sesquiterpenoids,Aromadendrane sesquiterpenoids,Valeriana dageletiana,7625130.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana dageletiana'],6,0,6.0 151645,6757,-1,,,,0.0,MS1_match,AFMMLDAVYSFRHS-HGNGLJKMSA-N,"InChI=1S/C15H22O4/c1-14(2)9-6-7-15(3)8(4-5-10(16)19-15)11(12(9)14)13(17)18/h8-9,11-12H,4-7H2,1-3H3,(H,17,18)/t8-,9-,11-,12-,15-/m0/s1",CC1(C)[C@@H]2[C@@H](C(=O)O)[C@@H]3CCC(=O)O[C@@]3(C)CC[C@@H]21,C15H22O4,pos_1_1proton1methanol,266.151809184,AFMMLDAVYSFRHS,Terpenoids,Sesquiterpenoids,Aromadendrane sesquiterpenoids,Valeriana officinalis var. latifolia,430697.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 151646,6757,-1,,,,0.0,MS1_match,AFMMLDAVYSFRHS-HGNGLJKMSA-N,"InChI=1S/C15H22O4/c1-14(2)9-6-7-15(3)8(4-5-10(16)19-15)11(12(9)14)13(17)18/h8-9,11-12H,4-7H2,1-3H3,(H,17,18)/t8-,9-,11-,12-,15-/m0/s1",CC1(C)[C@@H]2[C@@H](C(=O)O)[C@@H]3CCC(=O)O[C@@]3(C)CC[C@@H]21,C15H22O4,pos_1_1proton1methanol,266.151809184,AFMMLDAVYSFRHS,Terpenoids,Sesquiterpenoids,Aromadendrane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 151647,6757,-1,,,,0.0,MS1_match,NFAIEEHBPOJNKN-IPRJDCTKSA-N,"InChI=1S/C15H22O4/c1-7-5-8(16)6-9-10(17)11-12(19-11)13(14(2,3)18)15(7,9)4/h6-8,11-13,16,18H,5H2,1-4H3/t7-,8-,11-,12-,13+,15+/m1/s1",C[C@@H]1C[C@@H](O)C=C2C(=O)[C@H]3O[C@H]3[C@@H](C(C)(C)O)[C@]21C,C15H22O4,pos_1_1proton1methanol,266.151809184,NFAIEEHBPOJNKN,Terpenoids,Sesquiterpenoids,Nardosinane sesquiterpenoids,Nardostachys jatamansi,24101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Nardostachys'],['Nardostachys jatamansi'],6,0,6.0 151648,6757,-1,,,,0.0,MS1_match,ZSRVBNXAPSQDFY-PLJUSGQGSA-N,"InChI=1S/C15H22O4/c1-9-3-4-14(7-16)11(5-9)19-12-6-10(17)13(14,2)15(12)8-18-15/h5,10-12,16-17H,3-4,6-8H2,1-2H3/t10-,11-,12-,13+,14-,15-/m1/s1",CC1=C[C@H]2O[C@@H]3C[C@@H](O)[C@@](C)([C@@]2(CO)CC1)[C@@]31CO1,C15H22O4,pos_1_1proton1methanol,266.151809184,ZSRVBNXAPSQDFY,Terpenoids,Sesquiterpenoids,Trichothecane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 151649,6757,-1,,,,0.0,MS1_match,BDBRZURCDWHOCK-GBALPHGKSA-N,"InChI=1S/C15H22O4/c1-8(2)15-6-5-14(4,18-19-15)12-10(16)7-9(3)11(12)13(15)17/h8-9,13,17H,5-7H2,1-4H3/t9-,13+,14+,15+/m1/s1",CC(C)[C@]12CC[C@](C)(OO1)C1=C([C@H](C)CC1=O)[C@@H]2O,C15H22O4,pos_1_1proton1methanol,266.151809184,BDBRZURCDWHOCK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Nardostachys jatamansi,24101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Nardostachys'],['Nardostachys jatamansi'],6,0,6.0 151642,6752,-1,,,,0.0,MS1_match,XXZPXRQPWFAXCK-WQFMGJDKSA-N,"InChI=1S/C17H26O5/c1-10(2)7-15(19)22-17-16-11(3)5-6-14(16)13(9-21-17)8-20-12(4)18/h9-11,14,16-17H,5-8H2,1-4H3/t11-,14+,16+,17-/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2[C@@H]1CC[C@@H]2C,C17H26O5,pos_1_1proton1ammonium,310.178023932,XXZPXRQPWFAXCK,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 151640,6750,-1,,,,0.0,MS1_match,ZYEMGPIYFIJGTP-UHFFFAOYSA-N,"InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4,6-8H,1,5H2,2-3H3",C=CCc1ccc(OC)c(OC)c1,C11H14O2,pos_1_1proton1acetonitrile,178.099379688,ZYEMGPIYFIJGTP,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Morina persica,326553.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Morina'],['Morina persica'],6,0,6.0 151641,6750,-1,,,,0.0,MS1_match,VEPJYMZVLHBTJT-ONOSFVFSSA-N,"InChI=1S/C11H14O2/c1-7-3-2-4-8-9(12)5-6-10(13)11(7)8/h4-7,10-11,13H,2-3H2,1H3/t7-,10-,11+/m1/s1",C[C@@H]1CCC=C2C(=O)C=C[C@@H](O)[C@H]21,C11H14O2,pos_1_1proton1acetonitrile,178.099379688,VEPJYMZVLHBTJT,Terpenoids,,,Nardostachys jatamansi,24101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Nardostachys'],['Nardostachys jatamansi'],6,0,6.0 151634,6749,-1,,,,0.5706295,ISDB,FIGNHNKYVQYJHG-UHFFFAOYSA-N,"InChI=1S/C18H31NO3/c1-4-5-6-9-12-16(20)13-10-7-8-11-14-17(21)19-15-18(2,3)22/h7-8,11,14,22H,4-6,9-10,12-13,15H2,1-3H3,(H,19,21)",CCCCCCC(=O)CCC=CC=CC(=O)NCC(C)(C)O,C18H31NO3,,309.230393852,FIGNHNKYVQYJHG,Fatty acids,Fatty amides,N-acyl amines,Zanthoxylum ailanthoides,806818.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum ailanthoides'],4,0,6.282517910003662 151629,6748,619,Polyketides,Linear polyketides,Acetogenins,0.33817428,ISDB,DJVQAKQVQXIHEL-UHFFFAOYSA-N,"InChI=1S/C43H74O10/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(45)50-34-36(35-51-43-42(49)41(48)40(47)37(33-44)53-43)52-39(46)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h11-14,17-19,22,36-37,40-44,47-49H,3-10,15-16,20-21,23-35H2,1-2H3",CCCCCC=CCC=CCCCCCCCC(=O)OCC(COC1OC(CO)C(O)C(O)C1O)OC(=O)CCCCCC=CCC=CCCCCC,C43H74O10,,750.5281985679999,DJVQAKQVQXIHEL,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Chlorella vulgaris,804978.0,['Eukaryota'],['Archaeplastida'],['Chlorophyta'],['Trebouxiophyceae'],['Chlorellales'],['Chlorellaceae'],['Unknown'],['Chlorella'],['Chlorella vulgaris'],2,0,3.3526971340179443 151625,6746,-1,,,,0.2605802,ISDB,SSJXRCYFOOLEKV-JNTJKXLSSA-N,"InChI=1S/C22H33NOS/c1-4-13-20(24-3)15-12-10-8-6-5-7-9-11-14-19-17-25-22(23-19)21-16-18(21)2/h4-6,8,10-11,14,18-21H,1,7,9,12-13,15-17H2,2-3H3/b6-5+,10-8+,14-11+/t18-,19?,20-,21+/m0/s1",C=CC[C@@H](CC/C=C/C=C/CC/C=C/C1CSC([C@@H]2C[C@@H]2C)=N1)OC,C22H33NOS,,359.228285676,SSJXRCYFOOLEKV,Polyketides,Linear polyketides,Open-chain polyketides,Lyngbya sordida,65081.0,['Bacteria'],['Unknown'],['Cyanobacteria'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Lyngbya'],['Lyngbya sordida'],0,0,1.0423208475112915 151626,6746,-1,,,,0.2605802,ISDB,SSJXRCYFOOLEKV-JNTJKXLSSA-N,"InChI=1S/C22H33NOS/c1-4-13-20(24-3)15-12-10-8-6-5-7-9-11-14-19-17-25-22(23-19)21-16-18(21)2/h4-6,8,10-11,14,18-21H,1,7,9,12-13,15-17H2,2-3H3/b6-5+,10-8+,14-11+/t18-,19?,20-,21+/m0/s1",C=CC[C@@H](CC/C=C/C=C/CC/C=C/C1CSC([C@@H]2C[C@@H]2C)=N1)OC,C22H33NOS,,359.228285676,SSJXRCYFOOLEKV,Polyketides,Linear polyketides,Open-chain polyketides,Lyngbya polychroa,648243.0,['Bacteria'],['Unknown'],['Cyanobacteria'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Lyngbya'],['Lyngbya polychroa'],0,0,1.0423208475112915 151627,6746,-1,,,,0.2605802,ISDB,SSJXRCYFOOLEKV-QRRFGNQQSA-N,"InChI=1S/C22H33NOS/c1-4-13-20(24-3)15-12-10-8-6-5-7-9-11-14-19-17-25-22(23-19)21-16-18(21)2/h4-6,8,10-11,14,18-21H,1,7,9,12-13,15-17H2,2-3H3/b6-5+,10-8+,14-11-/t18-,19-,20-,21+/m0/s1",C=CC[C@@H](CC/C=C/C=C/CC/C=C\[C@H]1CSC([C@@H]2C[C@@H]2C)=N1)OC,C22H33NOS,,359.228285676,SSJXRCYFOOLEKV,Polyketides,Linear polyketides,Open-chain polyketides,Lyngbya majuscula,588158.0,['Bacteria'],['Unknown'],['Cyanobacteria'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Lyngbya'],['Lyngbya majuscula'],0,0,1.0423208475112915 151628,6746,-1,,,,0.2605802,ISDB,SSJXRCYFOOLEKV-NDGVNHDXSA-N,"InChI=1S/C22H33NOS/c1-4-13-20(24-3)15-12-10-8-6-5-7-9-11-14-19-17-25-22(23-19)21-16-18(21)2/h4-6,8,10-11,14,18-21H,1,7,9,12-13,15-17H2,2-3H3/b6-5+,10-8+,14-11-/t18-,19+,20-,21+/m0/s1",C=CC[C@@H](CC/C=C/C=C/CC/C=C\[C@@H]1CSC([C@@H]2C[C@@H]2C)=N1)OC,C22H33NOS,,359.228285676,SSJXRCYFOOLEKV,Polyketides,Linear polyketides,Open-chain polyketides,Symploca hydnoides,648240.0,['Bacteria'],['Unknown'],['Cyanobacteria'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Symploca'],['Symploca hydnoides'],0,0,1.0423208475112915 151623,6745,-1,,,,0.3533075,ISDB,,,,,,,IUTCUWWARLKNRX,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.4132299423217773 151599,6742,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.4902344,ISDB,JOOCFKONPKMQIN-KEBDBYFISA-N,"InChI=1S/C29H34O4/c1-18(2)7-6-8-20(5)10-13-23-25-15-21(11-9-19(3)4)26(31)17-28(25)33-27-16-22(30)12-14-24(27)29(23)32/h7,9-10,12,14-17,30-32H,6,8,11,13H2,1-5H3/b20-10+",CC(C)=CCC/C(C)=C/CC1=C(O)c2ccc(O)cc2Oc2cc(O)c(CC=C(C)C)cc21,C29H34O4,,446.245709568,JOOCFKONPKMQIN,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Artocarpus rigidus,563906.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Artocarpus'],['Artocarpus rigidus'],4,0,5.9609376192092896 151496,6739,520,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,RUVINXPYWBROJD-UHFFFAOYSA-N,"InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3",CC=Cc1ccc(OC)cc1,C10H12O,pos_1_1proton1methanol,148.088815004,RUVINXPYWBROJD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,3,7.5 151493,6736,-1,,,,0.0,MS1_match,JVAVVXRDSNKYPD-UHFFFAOYSA-N,"InChI=1S/C15H20O4/c1-9-4-3-5-11(15(17)18)7-12-8-13(12)14(6-9)19-10(2)16/h4,7,12-14H,3,5-6,8H2,1-2H3,(H,17,18)",CC(=O)OC1CC(C)=CCCC(C(=O)O)=CC2CC21,C15H20O4,pos_1_1proton1acetonitrile,264.13615912,JVAVVXRDSNKYPD,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 151494,6736,-1,,,,0.0,MS1_match,JVAVVXRDSNKYPD-UHFFFAOYSA-N,"InChI=1S/C15H20O4/c1-9-4-3-5-11(15(17)18)7-12-8-13(12)14(6-9)19-10(2)16/h4,7,12-14H,3,5-6,8H2,1-2H3,(H,17,18)",CC(=O)OC1CC(C)=CCCC(C(=O)O)=CC2CC21,C15H20O4,pos_1_1proton1acetonitrile,264.13615912,JVAVVXRDSNKYPD,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,Valeriana dageletiana,7625130.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana dageletiana'],6,0,6.0 151495,6736,-1,,,,0.0,MS1_match,GYTISTMGTHKMCE-RMHXPDDSSA-N,"InChI=1S/C15H20O4/c1-7-5-8(16)6-9-10(17)11-12(19-11)13(14(2,3)18)15(7,9)4/h6-7,11-13,18H,5H2,1-4H3/t7-,11-,12-,13+,15+/m1/s1",C[C@@H]1CC(=O)C=C2C(=O)[C@H]3O[C@H]3[C@@H](C(C)(C)O)[C@]21C,C15H20O4,pos_1_1proton1acetonitrile,264.13615912,GYTISTMGTHKMCE,Terpenoids,Sesquiterpenoids,Nardosinane sesquiterpenoids,Nardostachys jatamansi,24101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Nardostachys'],['Nardostachys jatamansi'],6,0,6.0 151460,6735,-1,,,,0.6746076,ISDB,HPKXZPJOBRJOHF-ZHACJKMWSA-N,"InChI=1S/C18H30O5/c1-2-14-15(17(21)12-16(14)20)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-16,19-20H,2-9,12H2,1H3,(H,22,23)/b11-10+",CCC1C(O)CC(=O)C1/C=C/C(O)CCCCCCCC(=O)O,C18H30O5,,326.20932406,HPKXZPJOBRJOHF,Fatty acids,Octadecanoids,Phytoprostanes,Olea europaea,23729.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Oleaceae'],['Oleeae'],['Olea'],['Olea europaea'],4,0,6.698430299758911 151461,6735,-1,,,,0.6746076,ISDB,HPKXZPJOBRJOHF-ZHACJKMWSA-N,"InChI=1S/C18H30O5/c1-2-14-15(17(21)12-16(14)20)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-16,19-20H,2-9,12H2,1H3,(H,22,23)/b11-10+",CCC1C(O)CC(=O)C1/C=C/C(O)CCCCCCCC(=O)O,C18H30O5,,326.20932406,HPKXZPJOBRJOHF,Fatty acids,Octadecanoids,Phytoprostanes,Vitis vinifera,756728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Vitales'],['Vitaceae'],['Viteae'],['Vitis'],['Vitis vinifera'],4,0,6.698430299758911 151455,6733,-1,,,,0.0,MS1_match,IPCSVZSSVZVIGE-UHFFFAOYSA-N,"InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)",CCCCCCCCCCCCCCCC(=O)O,C16H32O2,pos_2MH,256.240230264,IPCSVZSSVZVIGE,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Symphoricarpos albus,717590.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Symphoricarpos'],['Symphoricarpos albus'],6,0,6.0 151456,6733,-1,,,,0.0,MS1_match,IPCSVZSSVZVIGE-UHFFFAOYSA-N,"InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)",CCCCCCCCCCCCCCCC(=O)O,C16H32O2,pos_2MH,256.240230264,IPCSVZSSVZVIGE,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Morina persica,326553.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Morina'],['Morina persica'],6,0,6.0 151457,6733,-1,,,,0.0,MS1_match,IPCSVZSSVZVIGE-UHFFFAOYSA-N,"InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)",CCCCCCCCCCCCCCCC(=O)O,C16H32O2,pos_2MH,256.240230264,IPCSVZSSVZVIGE,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 151458,6733,-1,,,,0.0,MS1_match,IPCSVZSSVZVIGE-UHFFFAOYSA-N,"InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)",CCCCCCCCCCCCCCCC(=O)O,C16H32O2,pos_2MH,256.240230264,IPCSVZSSVZVIGE,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Patrinia villosa,971855.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia villosa'],6,0,6.0 151443,6732,1269,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,ZQPPMHVWECSIRJ-KTKRTIGZSA-N,"InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-",CCCCCCCC/C=C\CCCCCCCC(=O)O,C18H34O2,pos_1_1proton2acetonitrile,282.255880328,ZQPPMHVWECSIRJ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Nigella sativa,142360.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Nigelleae'],['Nigella'],['Nigella sativa'],6,3,7.5 151444,6732,1269,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,ZQPPMHVWECSIRJ-KTKRTIGZSA-N,"InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-",CCCCCCCC/C=C\CCCCCCCC(=O)O,C18H34O2,pos_1_1proton2acetonitrile,282.255880328,ZQPPMHVWECSIRJ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Staphisagria macrosperma,969162.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Staphisagria'],['Staphisagria macrosperma'],6,3,7.5 151445,6732,1269,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,ZQPPMHVWECSIRJ-KTKRTIGZSA-N,"InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-",CCCCCCCC/C=C\CCCCCCCC(=O)O,C18H34O2,pos_1_1proton2acetonitrile,282.255880328,ZQPPMHVWECSIRJ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Delphinium staphisagria,969162.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Staphisagria'],['Staphisagria macrosperma'],6,3,7.5 151446,6732,1269,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,ZQPPMHVWECSIRJ-KTKRTIGZSA-N,"InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-",CCCCCCCC/C=C\CCCCCCCC(=O)O,C18H34O2,pos_1_1proton2acetonitrile,282.255880328,ZQPPMHVWECSIRJ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Aconitum japonicum,5511352.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum japonicum'],6,3,7.5 151447,6732,1269,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,ZQPPMHVWECSIRJ-MDZDMXLPSA-N,"InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9+",CCCCCCCC/C=C/CCCCCCCC(=O)O,C18H34O2,pos_1_1proton2acetonitrile,282.255880328,ZQPPMHVWECSIRJ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Consolida regalis,733334.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida regalis'],6,3,7.5 151448,6732,1269,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,ZQPPMHVWECSIRJ-MDZDMXLPSA-N,"InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9+",CCCCCCCC/C=C/CCCCCCCC(=O)O,C18H34O2,pos_1_1proton2acetonitrile,282.255880328,ZQPPMHVWECSIRJ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Delphinium consolida,756488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida ajacis'],6,3,7.5 151449,6732,1269,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,ZQPPMHVWECSIRJ-KTKRTIGZSA-N,"InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-",CCCCCCCC/C=C\CCCCCCCC(=O)O,C18H34O2,pos_1_1proton2acetonitrile,282.255880328,ZQPPMHVWECSIRJ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Ranunculus glacialis,225728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus glacialis'],6,3,7.5 151450,6732,1269,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,ZQPPMHVWECSIRJ-KTKRTIGZSA-N,"InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-",CCCCCCCC/C=C\CCCCCCCC(=O)O,C18H34O2,pos_1_1proton2acetonitrile,282.255880328,ZQPPMHVWECSIRJ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Celastrus paniculatus,561287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Celastrus'],['Celastrus paniculatus'],6,3,7.5 151451,6732,1269,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,CNVZJPUDSLNTQU-SEYXRHQNSA-N,"InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h12-13H,2-11,14-17H2,1H3,(H,19,20)/b13-12-",CCCCCCCCCCC/C=C\CCCCC(=O)O,C18H34O2,pos_1_1proton2acetonitrile,282.255880328,CNVZJPUDSLNTQU,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Staphisagria macrosperma,969162.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Staphisagria'],['Staphisagria macrosperma'],6,3,7.5 151452,6732,1269,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,CNVZJPUDSLNTQU-SEYXRHQNSA-N,"InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h12-13H,2-11,14-17H2,1H3,(H,19,20)/b13-12-",CCCCCCCCCCC/C=C\CCCCC(=O)O,C18H34O2,pos_1_1proton2acetonitrile,282.255880328,CNVZJPUDSLNTQU,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Delphinium staphisagria,969162.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Staphisagria'],['Staphisagria macrosperma'],6,3,7.5 151454,6732,1269,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,AQWHMKSIVLSRNY-BUHFOSPRSA-N,"InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h13-14H,2-12,15-17H2,1H3,(H,19,20)/b14-13+",CCCCCCCCCCCC/C=C/CCCC(=O)O,C18H34O2,pos_1_1proton2acetonitrile,282.255880328,AQWHMKSIVLSRNY,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Thalictrum simplex,243507.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum simplex'],6,3,7.5 151438,6729,1457,Alkaloids,Lysine alkaloids,Indolizidine alkaloids,0.47042754,ISDB,HZOHTLMLLIVQEA-ODYMNIRHSA-N,"InChI=1S/C19H21NO5/c1-23-12-5-4-11-6-18(22)20-10-15(21)13-7-16(24-2)17(25-3)8-14(13)19(11,20)9-12/h4-8,12,15,21H,9-10H2,1-3H3/t12-,15-,19-/m0/s1",COc1cc2c(cc1OC)[C@]13C[C@@H](OC)C=CC1=CC(=O)N3C[C@@H]2O,C19H21NO5,,343.141972772,HZOHTLMLLIVQEA,Alkaloids,Lysine alkaloids,Indolizidine alkaloids,Erythrina lysistemon,284184.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Erythrina'],['Erythrina lysistemon'],0,3,3.381710171699524 151409,6728,-1,,,,0.6714744,ISDB,LQLSZSURMCEKFF-UHFFFAOYSA-N,"InChI=1S/C23H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-18-22(24)20-23(25)19-21/h6-7,9-10,18-20,24-25H,2-5,8,11-17H2,1H3",CCCCCC=CCC=CCCCCCCCc1cc(O)cc(O)c1,C23H36O2,,344.271530392,LQLSZSURMCEKFF,Polyketides,Aromatic polyketides,Catechols with side chains,Ardisia colorata,1055567.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Primulaceae'],['Unknown'],['Ardisia'],['Ardisia paniculata'],4,0,6.685897588729858 151410,6728,-1,,,,0.6714744,ISDB,LQLSZSURMCEKFF-UHFFFAOYSA-N,"InChI=1S/C23H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-18-22(24)20-23(25)19-21/h6-7,9-10,18-20,24-25H,2-5,8,11-17H2,1H3",CCCCCC=CCC=CCCCCCCCc1cc(O)cc(O)c1,C23H36O2,,344.271530392,LQLSZSURMCEKFF,Polyketides,Aromatic polyketides,Catechols with side chains,Stylogyne turbacensis,129618.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Primulaceae'],['Unknown'],['Stylogyne'],['Stylogyne turbacensis'],4,0,6.685897588729858 151411,6728,-1,,,,0.6714744,ISDB,LQLSZSURMCEKFF-UHFFFAOYSA-N,"InChI=1S/C23H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-18-22(24)20-23(25)19-21/h6-7,9-10,18-20,24-25H,2-5,8,11-17H2,1H3",CCCCCC=CCC=CCCCCCCCc1cc(O)cc(O)c1,C23H36O2,,344.271530392,LQLSZSURMCEKFF,Polyketides,Aromatic polyketides,Catechols with side chains,Mangifera indica,807634.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Anacardiaceae'],['Unknown'],['Mangifera'],['Mangifera indica'],4,0,6.685897588729858 151412,6728,-1,,,,0.6714744,ISDB,LQLSZSURMCEKFF-UHFFFAOYSA-N,"InChI=1S/C23H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-18-22(24)20-23(25)19-21/h6-7,9-10,18-20,24-25H,2-5,8,11-17H2,1H3",CCCCCC=CCC=CCCCCCCCc1cc(O)cc(O)c1,C23H36O2,,344.271530392,LQLSZSURMCEKFF,Polyketides,Aromatic polyketides,Catechols with side chains,Embelia ribes,417749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Primulaceae'],['Unknown'],['Embelia'],['Embelia ribes'],4,0,6.685897588729858 151413,6728,-1,,,,0.6714744,ISDB,LQLSZSURMCEKFF-UHFFFAOYSA-N,"InChI=1S/C23H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-18-22(24)20-23(25)19-21/h6-7,9-10,18-20,24-25H,2-5,8,11-17H2,1H3",CCCCCC=CCC=CCCCCCCCc1cc(O)cc(O)c1,C23H36O2,,344.271530392,LQLSZSURMCEKFF,Polyketides,Aromatic polyketides,Catechols with side chains,Salvia dorrii,1061904.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia dorrii'],4,0,6.685897588729858 151414,6728,-1,,,,0.6714744,ISDB,LQLSZSURMCEKFF-HZJYTTRNSA-N,"InChI=1S/C23H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-18-22(24)20-23(25)19-21/h6-7,9-10,18-20,24-25H,2-5,8,11-17H2,1H3/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCCCc1cc(O)cc(O)c1,C23H36O2,,344.271530392,LQLSZSURMCEKFF,Polyketides,Aromatic polyketides,Catechols with side chains,Ardisia complanata,1055567.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Primulaceae'],['Unknown'],['Ardisia'],['Ardisia paniculata'],4,0,6.685897588729858 151415,6728,-1,,,,0.6714744,ISDB,LQLSZSURMCEKFF-HZJYTTRNSA-N,"InChI=1S/C23H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-18-22(24)20-23(25)19-21/h6-7,9-10,18-20,24-25H,2-5,8,11-17H2,1H3/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCCCc1cc(O)cc(O)c1,C23H36O2,,344.271530392,LQLSZSURMCEKFF,Polyketides,Aromatic polyketides,Catechols with side chains,Ardisia sanguinolenta,1055567.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Primulaceae'],['Unknown'],['Ardisia'],['Ardisia paniculata'],4,0,6.685897588729858 151416,6728,-1,,,,0.6714744,ISDB,LQLSZSURMCEKFF-UHFFFAOYSA-N,"InChI=1S/C23H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-18-22(24)20-23(25)19-21/h6-7,9-10,18-20,24-25H,2-5,8,11-17H2,1H3",CCCCCC=CCC=CCCCCCCCc1cc(O)cc(O)c1,C23H36O2,,344.271530392,LQLSZSURMCEKFF,Polyketides,Aromatic polyketides,Catechols with side chains,Ardisia paniculata,1055567.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Primulaceae'],['Unknown'],['Ardisia'],['Ardisia paniculata'],4,0,6.685897588729858 151408,6726,-1,,,,0.0,MS1_match,XLFAYXVQOXIBJU-YWYDMYKJSA-N,"InChI=1S/C33H52O11/c1-15(14-42-30-29(40)28(39)27(38)23(13-34)43-30)7-8-33(41)16(2)25-22(44-33)11-20-19-6-5-17-9-18(35)10-24(37)32(17,4)26(19)21(36)12-31(20,25)3/h5,16,18-30,34-41H,1,6-14H2,2-4H3/t16-,18+,19-,20-,21+,22-,23+,24+,25-,26+,27+,28-,29+,30+,31-,32+,33+/m0/s1",C=C(CC[C@@]1(O)O[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O)C[C@@H](O)[C@]5(C)[C@H]4[C@H](O)C[C@]3(C)[C@H]2[C@@H]1C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C33H52O11,pos_1_1proton1ethylamine,624.350962484,XLFAYXVQOXIBJU,Terpenoids,Steroids,Furostane steroids,Helleborus orientalis,648046.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Helleboreae'],['Helleborus'],['Helleborus orientalis'],6,0,6.0 151207,6724,1,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.38105804,ISDB,LPOVXLVQNSEZGE-PMRPVAAPSA-N,"InChI=1S/C17H24O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,10-14,16-18,20-22H,3-4H2,1-2H3/t6-,7+,10+,11+,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1CC(=O)[C@@H]2C,C17H24O10,,388.1369469679999,LPOVXLVQNSEZGE,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera morrowii,484242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],7,3,10.024232149124146 151208,6724,1,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.38105804,ISDB,LPOVXLVQNSEZGE-UHFFFAOYSA-N,"InChI=1S/C17H24O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,10-14,16-18,20-22H,3-4H2,1-2H3",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(C)C(=O)CC12,C17H24O10,,388.1369469679999,LPOVXLVQNSEZGE,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],7,3,10.024232149124146 151136,6723,569,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_1_1proton1acetonitrile,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera microphylla,980075.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera microphylla'],7,3,8.5 151134,6722,-1,,,,0.0,MS1_match,SESFRYSPDFLNCH-UHFFFAOYSA-N,"InChI=1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2",O=C(OCc1ccccc1)c1ccccc1,C14H12O2,pos_1_1proton1methanol,212.083729624,SESFRYSPDFLNCH,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 151121,6721,1506,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MWOOGOJBHIARFG-UHFFFAOYSA-N,"InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3",COc1cc(C=O)ccc1O,C8H8O3,pos_1_1proton1ammonium,152.047344116,MWOOGOJBHIARFG,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera microphylla,980075.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera microphylla'],7,3,8.5 151103,6715,37,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.2982386,ISDB,HAIPHKFLSXSDAN-BLOCXYQCSA-N,"InChI=1S/C44H76NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-17-15-13-11-9-7-2/h8,10,14,16,19-20,22-23,25,27,31,33,42H,6-7,9,11-13,15,17-18,21,24,26,28-30,32,34-41H2,1-5H3/b10-8-,16-14-,20-19-,23-22-,27-25-,33-31-/t42-/m1/s1",CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C,C44H76NO8P,,777.530855022,HAIPHKFLSXSDAN,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Aphis gossypii,1026471.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hemiptera'],['Aphididae'],['Aphidini'],['Aphis'],['Aphis gossypii'],1,3,3.692954421043396 151104,6715,37,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.2982386,ISDB,HAIPHKFLSXSDAN-BLOCXYQCSA-N,"InChI=1S/C44H76NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-17-15-13-11-9-7-2/h8,10,14,16,19-20,22-23,25,27,31,33,42H,6-7,9,11-13,15,17-18,21,24,26,28-30,32,34-41H2,1-5H3/b10-8-,16-14-,20-19-,23-22-,27-25-,33-31-/t42-/m1/s1",CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C,C44H76NO8P,,777.530855022,HAIPHKFLSXSDAN,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Lysiphlebia japonica,697724.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hymenoptera'],['Braconidae'],['Unknown'],['Lysiphlebia'],['Lysiphlebia japonica'],1,3,3.692954421043396 151101,6711,1079,Terpenoids,Monoterpenoids,Pyranocoumarins,0.0,MS1_match,MUPAOXGYJYRUDB-LBPRGKRZSA-N,"InChI=1S/C15H16O4/c1-15(2)12(17-3)8-10-11(19-15)6-4-9-5-7-13(16)18-14(9)10/h4-7,12H,8H2,1-3H3/t12-/m0/s1",CO[C@H]1Cc2c(ccc3ccc(=O)oc23)OC1(C)C,C15H16O4,pos_1_1proton1ammonium,260.104858992,MUPAOXGYJYRUDB,Shikimates and Phenylpropanoids,Coumarins,Pyranocoumarins,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,3,7.5 151102,6711,1079,Terpenoids,Monoterpenoids,Pyranocoumarins,0.0,MS1_match,MUPAOXGYJYRUDB-LBPRGKRZSA-N,"InChI=1S/C15H16O4/c1-15(2)12(17-3)8-10-11(19-15)6-4-9-5-7-13(16)18-14(9)10/h4-7,12H,8H2,1-3H3/t12-/m0/s1",CO[C@H]1Cc2c(ccc3ccc(=O)oc23)OC1(C)C,C15H16O4,pos_1_1proton1ammonium,260.104858992,MUPAOXGYJYRUDB,Shikimates and Phenylpropanoids,Coumarins,Pyranocoumarins,Nardostachys jatamansi,24101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Nardostachys'],['Nardostachys jatamansi'],6,3,7.5 151096,6707,-1,,,,0.6150983,ISDB,,,,,,,ZHWXAOZKNCMTES,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.460393190383911 151071,6703,-1,,,,0.0,MS1_match,DYFUVQSGLMQLRX-ALBXZGMBSA-N,"InChI=1S/C36H56O10/c1-31(2)13-15-36(30(43)44)16-14-34(5)19(20(36)17-31)7-8-22-32(3)11-10-23(33(4,18-37)21(32)9-12-35(22,34)6)45-29-26(40)24(38)25(39)27(46-29)28(41)42/h7,20-27,29,37-40H,8-18H2,1-6H3,(H,41,42)(H,43,44)/t20-,21+,22+,23-,24-,25-,26+,27-,29+,32-,33-,34+,35+,36-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C36H56O10,pos_2_2proton,648.387347992,DYFUVQSGLMQLRX,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lonicera nigra,179065.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera nigra'],7,0,7.0 151072,6703,-1,,,,0.0,MS1_match,DYFUVQSGLMQLRX-ALBXZGMBSA-N,"InChI=1S/C36H56O10/c1-31(2)13-15-36(30(43)44)16-14-34(5)19(20(36)17-31)7-8-22-32(3)11-10-23(33(4,18-37)21(32)9-12-35(22,34)6)45-29-26(40)24(38)25(39)27(46-29)28(41)42/h7,20-27,29,37-40H,8-18H2,1-6H3,(H,41,42)(H,43,44)/t20-,21+,22+,23-,24-,25-,26+,27-,29+,32-,33-,34+,35+,36-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C36H56O10,pos_2_2proton,648.387347992,DYFUVQSGLMQLRX,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lonicera nigra,179065.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera nigra'],7,0,7.0 151070,6702,-1,,,,0.0,MS1_match,YUAYWSBSIJVIBS-UHFFFAOYSA-N,"InChI=1S/C10H14O2/c1-2-3-4-6-9(11)10-7-5-8-12-10/h5,7-8H,2-4,6H2,1H3",CCCCCC(=O)c1ccco1,C10H14O2,pos_2MNa,166.099379688,YUAYWSBSIJVIBS,,,,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 151069,6700,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.20455688,ISDB,,,,,,,QWXQXTUTIXYVJD,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.8182275295257568 151067,6696,1697,,,,0.0,MS1_match,MWOMNLDJNQWJMK-UHFFFAOYSA-N,"InChI=1S/C10H14O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h4-5,7,11-12H,2-3,6H2,1H3",COc1cc(CCCO)ccc1O,C10H14O3,pos_2MHNH3,182.094294308,MWOMNLDJNQWJMK,,,,Aconitum baicalense,1014257.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum baicalense'],6,0,6.0 151068,6696,1697,,,,0.0,MS1_match,AALXOLVYFZPFPN-NSCUHMNNSA-N,"InChI=1S/C10H14O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-5,8,11-12H,6-7H2,1H3/b3-2+",COC1=C(O)C=CC(/C=C/CO)C1,C10H14O3,pos_2MHNH3,182.094294308,AALXOLVYFZPFPN,,,,Aconitum baicalense,1014257.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum baicalense'],6,0,6.0 151064,6695,-1,,,,0.0,MS1_match,XOWVMKHUWDJUHZ-CHHYLKMXSA-N,"InChI=1S/C27H34O13/c1-12-17(38-20(30)7-5-13-4-6-16(29)18(8-13)35-2)9-14-15(25(34)36-3)11-37-26(21(12)14)40-27-24(33)23(32)22(31)19(10-28)39-27/h4-8,11-12,14,17,19,21-24,26-29,31-33H,9-10H2,1-3H3/b7-5-/t12-,14+,17-,19+,21+,22+,23-,24+,26-,27-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](C)[C@@H](OC(=O)/C=C\c3ccc(O)c(OC)c3)C[C@H]12,C27H34O13,pos_2_1proton1sodium,566.199941148,XOWVMKHUWDJUHZ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera morrowii,484242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],7,0,7.0 151065,6695,-1,,,,0.0,MS1_match,XOWVMKHUWDJUHZ-CHHYLKMXSA-N,"InChI=1S/C27H34O13/c1-12-17(38-20(30)7-5-13-4-6-16(29)18(8-13)35-2)9-14-15(25(34)36-3)11-37-26(21(12)14)40-27-24(33)23(32)22(31)19(10-28)39-27/h4-8,11-12,14,17,19,21-24,26-29,31-33H,9-10H2,1-3H3/b7-5-/t12-,14+,17-,19+,21+,22+,23-,24+,26-,27-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](C)[C@@H](OC(=O)/C=C\c3ccc(O)c(OC)c3)C[C@H]12,C27H34O13,pos_2_1proton1sodium,566.199941148,XOWVMKHUWDJUHZ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera insularis,5746388.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera insularis'],7,0,7.0 151060,6694,116,Alkaloids,Ornithine alkaloids,Polyamines,0.485146,ISDB,KTZNZCYTXQYEHT-GQCTYLIASA-N,"InChI=1S/C13H18N2O3/c14-7-1-2-8-15-13(18)6-4-10-3-5-11(16)12(17)9-10/h3-6,9,16-17H,1-2,7-8,14H2,(H,15,18)/b6-4+",NCCCCNC(=O)/C=C/c1ccc(O)c(O)c1,C13H18N2O3,,250.131742436,KTZNZCYTXQYEHT,Alkaloids,Ornithine alkaloids,Polyamines,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],4,3,7.440583944320679 151061,6694,116,Alkaloids,Ornithine alkaloids,Polyamines,0.485146,ISDB,KTZNZCYTXQYEHT-GQCTYLIASA-N,"InChI=1S/C13H18N2O3/c14-7-1-2-8-15-13(18)6-4-10-3-5-11(16)12(17)9-10/h3-6,9,16-17H,1-2,7-8,14H2,(H,15,18)/b6-4+",NCCCCNC(=O)/C=C/c1ccc(O)c(O)c1,C13H18N2O3,,250.131742436,KTZNZCYTXQYEHT,Alkaloids,Ornithine alkaloids,Polyamines,Iochroma cyaneum,974496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma cyaneum'],4,3,7.440583944320679 151062,6694,116,Alkaloids,Ornithine alkaloids,Polyamines,0.485146,ISDB,KTZNZCYTXQYEHT-UHFFFAOYSA-N,"InChI=1S/C13H18N2O3/c14-7-1-2-8-15-13(18)6-4-10-3-5-11(16)12(17)9-10/h3-6,9,16-17H,1-2,7-8,14H2,(H,15,18)",NCCCCNC(=O)C=Cc1ccc(O)c(O)c1,C13H18N2O3,,250.131742436,KTZNZCYTXQYEHT,Alkaloids,Ornithine alkaloids,Polyamines,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],4,3,7.440583944320679 151055,6693,-1,,,,0.0,MS1_match,RPMNUQRUHXIGHK-UHFFFAOYSA-N,"InChI=1S/C27H30O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-8,10,18,20-30,32-36H,9H2,1H3",CC1OC(OC2C(Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3)OC(CO)C(O)C2O)C(O)C(O)C1O,C27H30O14,pos_2MH,578.16355564,RPMNUQRUHXIGHK,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Lonicera gracilipes,920854.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera gracilipes'],7,0,7.0 151056,6693,-1,,,,0.0,MS1_match,RPMNUQRUHXIGHK-PYXJVEIZSA-N,"InChI=1S/C27H30O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-8,10,18,20-30,32-36H,9H2,1H3/t10-,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O14,pos_2MH,578.16355564,RPMNUQRUHXIGHK,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 151049,6692,80,Terpenoids,Tryptophan alkaloids,Carbazole alkaloids,0.7152788,ISDB,GYFNYTZQAFYJEY-QTUDGBRCSA-N,"InChI=1S/C35H40O10/c1-13(12-36)7-24(37)44-35(42)21-10-20(21)32(4)22-9-17-16-8-19(16)33(5)26(17)27(25(28(38)29(33)39)15(3)30(40)43-6)34(22)18(11-23(32)35)14(2)31(41)45-34/h7,16,19-23,27,29,36,39,42H,8-12H2,1-6H3/b13-7+,25-15-/t16-,19-,20-,21+,22+,23-,27+,29+,32-,33+,34?,35-/m1/s1",COC(=O)/C(C)=C1\C(=O)[C@H](O)[C@]2(C)C3=C(C[C@@H]4C5(OC(=O)C(C)=C5C[C@H]5[C@](O)(OC(=O)/C=C(\C)CO)[C@H]6C[C@H]6[C@]45C)[C@H]31)[C@H]1C[C@H]12,C35H40O10,,620.26214748,GYFNYTZQAFYJEY,Terpenoids,Sesquiterpenoids,Cycloeudesmane sesquiterpenoids,Chloranthus fortunei,569911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Chloranthales'],['Chloranthaceae'],['Unknown'],['Chloranthus'],['Chloranthus fortunei'],4,1,7.361115217208862 151044,6689,-1,,,,0.0,MS1_match,RPMNUQRUHXIGHK-UHFFFAOYSA-N,"InChI=1S/C27H30O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-8,10,18,20-30,32-36H,9H2,1H3",CC1OC(OC2C(Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3)OC(CO)C(O)C2O)C(O)C(O)C1O,C27H30O14,pos_1_sodium,578.16355564,RPMNUQRUHXIGHK,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Lonicera gracilipes,920854.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera gracilipes'],7,0,7.0 151045,6689,-1,,,,0.0,MS1_match,RPMNUQRUHXIGHK-PYXJVEIZSA-N,"InChI=1S/C27H30O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-8,10,18,20-30,32-36H,9H2,1H3/t10-,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O14,pos_1_sodium,578.16355564,RPMNUQRUHXIGHK,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 150998,6687,-1,,,,0.0,MS1_match,DTUQWGWMVIHBKE-UHFFFAOYSA-N,"InChI=1S/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H2",O=CCc1ccccc1,C8H8O,pos_1_1proton1methanol,120.057514876,DTUQWGWMVIHBKE,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 150997,6686,280,Alkaloids,Monoterpenoids,Terpenoid alkaloids,0.0,MS1_match,OSEQXWIIKWMXMK-NWPPUUMPSA-N,"InChI=1S/C33H43NO9/c1-17(35)43-32-14-22(39-4)20-13-21(24(32)26(20)42-30(36)18-7-9-19(38-3)10-8-18)33-23(40-5)11-12-31(16-37-2)15-34-29(33)25(32)27(41-6)28(31)33/h7-10,15,20-29H,11-14,16H2,1-6H3/t20-,21-,22+,23+,24-,25+,26+,27+,28-,29-,31+,32-,33+/m1/s1",COC[C@]12C=N[C@@H]3[C@@H]4[C@H](OC)[C@H]1[C@@]3([C@@H](OC)CC2)[C@@H]1C[C@H]2[C@H](OC(=O)c3ccc(OC)cc3)[C@@H]1[C@]4(OC(C)=O)C[C@@H]2OC,C33H43NO9,pos_2_2proton1acetonitrile,597.293781956,OSEQXWIIKWMXMK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum macrorhynchum,7591226.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum macrorhynchum'],6,3,7.5 150988,6685,169,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,WVDDGKGOMKODPV-UHFFFAOYSA-N,"InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2",OCc1ccccc1,C7H8O,pos_2MHNH3,108.057514876,WVDDGKGOMKODPV,Shikimates and Phenylpropanoids,,,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 150989,6685,169,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,OXZSUQJHKQOGOK-UHFFFAOYSA-N,"InChI=1S/C12H16O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h5-8H,1-4H3",CC(=O)Oc1cc(C(C)C)ccc1C,C12H16O2,pos_1_1proton1acetonitrile,192.115029752,OXZSUQJHKQOGOK,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,2,7.0 150983,6675,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RPMNUQRUHXIGHK-UHFFFAOYSA-N,"InChI=1S/C27H30O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-8,10,18,20-30,32-36H,9H2,1H3",CC1OC(OC2C(Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3)OC(CO)C(O)C2O)C(O)C(O)C1O,C27H30O14,pos_1_1proton,578.16355564,RPMNUQRUHXIGHK,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Lonicera gracilipes,920854.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera gracilipes'],7,2,8.0 150984,6675,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RPMNUQRUHXIGHK-PYXJVEIZSA-N,"InChI=1S/C27H30O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-8,10,18,20-30,32-36H,9H2,1H3/t10-,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O14,pos_1_1proton,578.16355564,RPMNUQRUHXIGHK,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,2,8.0 150962,6672,666,Terpenoids,Sesquiterpenoids,Acyclic monoterpenoids,0.26054645,ISDB,GVKOSTDVQZCJJT-ZHSDAYTOSA-N,"InChI=1S/C14H24O3/c1-13(2)10-6-4-5-9(12(16)17)14(10,3)8-7-11(13)15/h9-11,15H,4-8H2,1-3H3,(H,16,17)/t9-,10-,11-,14-/m1/s1",CC1(C)[C@H](O)CC[C@]2(C)[C@@H](C(=O)O)CCC[C@H]12,C14H24O3,,240.172544628,GVKOSTDVQZCJJT,Terpenoids,Sesquiterpenoids,,Verbascum thapsus,35629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Scrophulariaceae'],['Scrophularieae'],['Verbascum'],['Verbascum thapsus'],4,2,6.0421857833862305 150879,6670,417,Fatty acids,Diterpenoids,Norkaurane diterpenoids,0.6929529,ISDB,SDJMNNDDHQWWJH-UXCAXZQLSA-N,"InChI=1S/C18H26O3/c1-16-6-5-14(20)8-12(16)4-7-17-9-13(2-3-15(16)17)18(21,10-17)11-19/h5-6,12-13,15,19,21H,2-4,7-11H2,1H3/t12-,13-,15+,16-,17+,18+/m1/s1",C[C@@]12C=CC(=O)C[C@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@@](O)(CO)C3,C18H26O3,,290.188194692,SDJMNNDDHQWWJH,Terpenoids,Diterpenoids,Norkaurane diterpenoids,Diplospora dubia,729058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Coffeeae'],['Diplospora'],['Diplospora dubia'],4,3,8.271811485290527 150850,6665,520,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.6743918,ISDB,LDQHURFLDDRWGZ-UHFFFAOYSA-N,"InChI=1S/C11H14O/c1-8(2)10-6-5-9(3)7-11(10)12-4/h5-7H,1H2,2-4H3",C=C(C)c1ccc(C)cc1OC,C11H14O,,162.104465068,LDQHURFLDDRWGZ,Terpenoids,Monoterpenoids,,Arnica montana,942734.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Madieae'],['Arnica'],['Arnica montana'],4,2,7.6975672245025635 150851,6665,520,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.6743918,ISDB,LDQHURFLDDRWGZ-UHFFFAOYSA-N,"InChI=1S/C11H14O/c1-8(2)10-6-5-9(3)7-11(10)12-4/h5-7H,1H2,2-4H3",C=C(C)c1ccc(C)cc1OC,C11H14O,,162.104465068,LDQHURFLDDRWGZ,Terpenoids,Monoterpenoids,,Calea pilosa,7606941.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Neurolaeneae'],['Calea'],['Calea pilosa'],4,2,7.6975672245025635 150846,6662,145,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UASMTJSLCCDICT-UHFFFAOYSA-N,"InChI=1S/C13H18O2/c1-9-3-2-4-11(13(14)15)8-12-7-10(12)6-5-9/h3,8,10,12H,2,4-7H2,1H3,(H,14,15)",CC1=CCCC(C(=O)O)=CC2CC2CC1,C13H18O2,pos_2MNa,206.130679816,UASMTJSLCCDICT,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,Valeriana dageletiana,7625130.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana dageletiana'],6,0,6.0 150847,6662,145,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UASMTJSLCCDICT-UHFFFAOYSA-N,"InChI=1S/C13H18O2/c1-9-3-2-4-11(13(14)15)8-12-7-10(12)6-5-9/h3,8,10,12H,2,4-7H2,1H3,(H,14,15)",CC1=CCCC(C(=O)O)=CC2CC2CC1,C13H18O2,pos_2MNa,206.130679816,UASMTJSLCCDICT,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 150845,6660,1094,,,,0.53171355,ISDB,,,,,,,BIKJRUMCRBPQKR,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.126854181289673 150830,6658,-1,,,,0.0,MS1_match,RRAFCDWBNXTKKO-UHFFFAOYSA-N,"InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3",C=CCc1ccc(O)c(OC)c1,C10H12O2,pos_2MNa,164.083729624,RRAFCDWBNXTKKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 150831,6658,-1,,,,0.0,MS1_match,LREHGXOCZVBABG-UHFFFAOYSA-N,"InChI=1S/C10H12O2/c1-3-5-8-6-4-7-9(12-2)10(8)11/h3-4,6-7,11H,1,5H2,2H3",C=CCc1cccc(OC)c1O,C10H12O2,pos_2MNa,164.083729624,LREHGXOCZVBABG,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 150832,6658,-1,,,,0.0,MS1_match,PANKHBYNKQNAHN-MQQNZMFNSA-N,"InChI=1S/C20H24O4/c1-15(11-7-13-17(3)19(21)22)9-5-6-10-16(2)12-8-14-18(4)20(23)24/h5-14H,1-4H3,(H,21,22)(H,23,24)/b6-5+,11-7+,12-8+,15-9+,16-10+,17-13+,18-14+",CC(/C=C/C=C(\C)C(=O)O)=C\C=C\C=C(C)\C=C\C=C(/C)C(=O)O,C20H24O4,pos_1_sodium,328.16745924799994,PANKHBYNKQNAHN,Terpenoids,Apocarotenoids,Miscellaneous apocarotenoids,Euonymus japonicus,180140.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus japonicus'],7,0,7.0 150833,6658,-1,,,,0.0,MS1_match,PANKHBYNKQNAHN-MQQNZMFNSA-N,"InChI=1S/C20H24O4/c1-15(11-7-13-17(3)19(21)22)9-5-6-10-16(2)12-8-14-18(4)20(23)24/h5-14H,1-4H3,(H,21,22)(H,23,24)/b6-5+,11-7+,12-8+,15-9+,16-10+,17-13+,18-14+",CC(/C=C/C=C(\C)C(=O)O)=C\C=C\C=C(C)\C=C\C=C(/C)C(=O)O,C20H24O4,pos_1_sodium,328.16745924799994,PANKHBYNKQNAHN,Terpenoids,Apocarotenoids,Miscellaneous apocarotenoids,Euonymus japonicus,180140.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus japonicus'],7,0,7.0 150815,6656,650,Polyketides,Aromatic polyketides,Catechols with side chains,0.38180345,ISDB,FGPOGAUCGOZVPS-XBLVEGMJSA-N,"InChI=1S/C18H26O/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(19)16-14-17/h7-10,13-16,19H,2-6,11-12H2,1H3/b8-7+,10-9+",CCCCCC/C=C/C=C/CCc1ccc(O)cc1,C18H26O,,258.198365452,FGPOGAUCGOZVPS,Polyketides,Aromatic polyketides,Catechols with side chains,Piper villiramulum,865488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper villiramulum'],4,3,7.02721381187439 150813,6655,-1,,,,0.0,MS1_match,NPDSHTNEKLQQIJ-ZJHFMPGASA-N,"InChI=1S/C18H32O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14,17,19H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-6-,14-11+",CCCCC/C=C\C=C\C(O)CCCCCCCC(=O)O,C18H32O3,pos_2MHCH3CN,296.235144884,NPDSHTNEKLQQIJ,Fatty acids,Octadecanoids,Other Octadecanoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 150814,6655,-1,,,,0.0,MS1_match,NPDSHTNEKLQQIJ-ZJHFMPGASA-N,"InChI=1S/C18H32O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14,17,19H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-6-,14-11+",CCCCC/C=C\C=C\C(O)CCCCCCCC(=O)O,C18H32O3,pos_2MHCH3CN,296.235144884,NPDSHTNEKLQQIJ,Fatty acids,Octadecanoids,Other Octadecanoids,Valeriana fauriei,228778.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana fauriei'],6,0,6.0 150806,6643,1079,Terpenoids,Monoterpenoids,Pyranocoumarins,0.6777652,ISDB,HYRHDNDBYPEHPQ-JWCOTYKISA-N,"InChI=1S/C16H21NO4/c1-11(18)3-8-15-14(9-16(19)21-15)17-13-6-4-12(5-7-13)10-20-2/h3-8,11,14-15,17-18H,9-10H2,1-2H3/b8-3+/t11-,14-,15+/m0/s1",COCc1ccc(N[C@H]2CC(=O)O[C@@H]2/C=C/[C@H](C)O)cc1,C16H21NO4,,291.147058152,HYRHDNDBYPEHPQ,,,,Streptomyces viridochromogenes,676476.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Streptomyces viridochromogenes'],0,0,2.7110607624053955 150756,6641,-1,,,,0.34133855,ISDB,IATWXYMZKVGQLC-CGJGEUGISA-N,"InChI=1S/C21H24O6/c1-24-17-7-6-14(11-18(17)25-2)20-16(12-23)15-9-13(5-4-8-22)10-19(26-3)21(15)27-20/h4-7,9-11,16,20,22-23H,8,12H2,1-3H3/b5-4+/t16-,20+/m1/s1",COc1ccc([C@@H]2Oc3c(OC)cc(/C=C/CO)cc3[C@H]2CO)cc1OC,C21H24O6,,372.157288488,IATWXYMZKVGQLC,Shikimates and Phenylpropanoids,Lignans,Neolignans,Bambusa emeiensis,452032.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Bambuseae'],['Bambusa'],['Bambusa emeiensis'],4,0,5.3653541803359985 150757,6641,-1,,,,0.34133855,ISDB,IATWXYMZKVGQLC-WXVIEYATSA-N,"InChI=1S/C21H24O6/c1-24-17-7-6-14(11-18(17)25-2)20-16(12-23)15-9-13(5-4-8-22)10-19(26-3)21(15)27-20/h4-7,9-11,16,20,22-23H,8,12H2,1-3H3/b5-4+/t16-,20+/m0/s1",COc1ccc([C@H]2Oc3c(OC)cc(/C=C/CO)cc3[C@@H]2CO)cc1OC,C21H24O6,,372.1572884879999,IATWXYMZKVGQLC,Shikimates and Phenylpropanoids,Lignans,Neolignans,Anastatica hierochuntica,441964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Anastaticeae'],['Anastatica'],['Anastatica hierochuntica'],4,0,5.3653541803359985 150755,6637,145,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.48292708,ISDB,UZNKGMPIZWBDHA-UHFFFAOYSA-N,"InChI=1S/C19H17NO4/c1-22-14-6-4-12(5-7-14)19(21)18-15-11-17(24-3)16(23-2)10-13(15)8-9-20-18/h4-11H,1-3H3",COc1ccc(C(=O)c2nccc3cc(OC)c(OC)cc23)cc1,C19H17NO4,,323.115758024,UZNKGMPIZWBDHA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Beilschmiedia penangiana,6025418.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Beilschmiedia'],['Beilschmiedia penangiana'],4,3,7.431708335876465 150689,6634,679,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,0.60687035,ISDB,ZHQBBLCLYQVUIP-FXQCRCGESA-N,"InChI=1S/C22H36O3/c1-14(24)22(25)15-6-7-17-20(4)10-5-9-19(2,3)16(20)8-11-21(17,12-15)18(22)13-23/h15-18,23,25H,5-13H2,1-4H3/t15-,16-,17+,18-,20-,21-,22-/m1/s1",CC(=O)[C@@]1(O)[C@@H]2CC[C@H]3[C@]4(C)CCCC(C)(C)[C@H]4CC[C@]3(C2)[C@H]1CO,C22H36O3,,348.266445012,ZHQBBLCLYQVUIP,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Conchidium japonicum,3979206.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Podochileae'],['Conchidium'],['Conchidium japonicum'],4,3,7.927481412887573 150690,6634,679,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,0.60687035,ISDB,ZHQBBLCLYQVUIP-FXQCRCGESA-N,"InChI=1S/C22H36O3/c1-14(24)22(25)15-6-7-17-20(4)10-5-9-19(2,3)16(20)8-11-21(17,12-15)18(22)13-23/h15-18,23,25H,5-13H2,1-4H3/t15-,16-,17+,18-,20-,21-,22-/m1/s1",CC(=O)[C@@]1(O)[C@@H]2CC[C@H]3[C@]4(C)CCCC(C)(C)[C@H]4CC[C@]3(C2)[C@H]1CO,C22H36O3,,348.266445012,ZHQBBLCLYQVUIP,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Pinalia japonica,3979206.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Podochileae'],['Conchidium'],['Conchidium japonicum'],4,3,7.927481412887573 150673,6631,-1,,,,0.0,MS1_match,SVUCVTQMJOSTKG-NBLUKIFKSA-N,"InChI=1S/C20H28O3/c1-12(11-21)13-5-7-15-14(9-13)6-8-17-19(2,3)18(23)16(22)10-20(15,17)4/h5,7,9,12,17-18,21,23H,6,8,10-11H2,1-4H3/t12?,17-,18-,20+/m0/s1",CC(CO)c1ccc2c(c1)CC[C@H]1C(C)(C)[C@@H](O)C(=O)C[C@]21C,C20H28O3,pos_1_1proton1ammonium,316.203844756,SVUCVTQMJOSTKG,Terpenoids,Diterpenoids,Abietane diterpenoids,Euonymus lutchuensis,6092629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus lutchuensis'],7,0,7.0 150674,6631,-1,,,,0.0,MS1_match,VDYIVCZMMUWJGH-ZSUJMJGWSA-N,"InChI=1S/C20H28O3/c1-12(11-21)14-9-13-5-6-17-19(2,3)18(23)7-8-20(17,4)15(13)10-16(14)22/h9-10,12,17,21-22H,5-8,11H2,1-4H3/t12?,17-,20+/m0/s1",CC(CO)c1cc2c(cc1O)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC2,C20H28O3,pos_1_1proton1ammonium,316.203844756,VDYIVCZMMUWJGH,Terpenoids,Diterpenoids,Abietane diterpenoids,Euonymus lutchuensis,6092629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus lutchuensis'],7,0,7.0 150670,6630,1291,Shikimates and Phenylpropanoids,Ornithine alkaloids,Pyrrolizidine alkaloids,0.0,MS1_match,BOQRGNNIHUELJI-CZUORRHYSA-N,"InChI=1S/C17H18O7/c1-22-14-5-9(18)6-15-10(14)7-13(21)16(24-15)8-3-11(19)17(23-2)12(20)4-8/h3-6,13,16,18-21H,7H2,1-2H3/t13-,16-/m1/s1",COc1cc(O)cc2c1C[C@@H](O)[C@@H](c1cc(O)c(OC)c(O)c1)O2,C17H18O7,pos_1_1proton1ammonium,334.105252916,BOQRGNNIHUELJI,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Gymnosporia senegalensis,170566.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Gymnosporia'],['Gymnosporia senegalensis'],6,1,6.5 150649,6627,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.5292721,ISDB,NNOHQDGLBSBWNG-YVGXBJCXSA-N,"InChI=1S/C30H32O7/c1-14(2)7-6-10-30(5)18-11-17-27(35)25-22(13-19(31)16(26(25)34)9-8-15(3)4)36-28(17)24-20(32)12-21(33)29(37-30)23(18)24/h7-8,12-13,18,31-34H,6,9-11H2,1-5H3/t18-,30+/m0/s1",CC(C)=CCC[C@@]1(C)Oc2c(O)cc(O)c3c2[C@@H]1Cc1c-3oc2cc(O)c(CC=C(C)C)c(O)c2c1=O,C30H32O7,,504.2148033639999,NNOHQDGLBSBWNG,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Artocarpus rigidus,563906.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Artocarpus'],['Artocarpus rigidus'],4,1,6.617088317871094 150634,6626,-1,,,,0.6473453,ISDB,MAGPJVVGBCSWPF-HNNXBMFYSA-N,"InChI=1S/C20H23NO5/c1-24-17-9-13-12(18(23)20(17)26-3)6-7-21-10-14-11(8-15(13)21)4-5-16(22)19(14)25-2/h4-5,9,15,22-23H,6-8,10H2,1-3H3/t15-/m0/s1",COc1cc2c(c(O)c1OC)CCN1Cc3c(ccc(O)c3OC)C[C@@H]21,C20H23NO5,,357.157622836,MAGPJVVGBCSWPF,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Polyalthia stenopetala,727643.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Miliuseae'],['Polyalthia'],['Polyalthia stenopetala'],4,0,6.589381217956543 150635,6626,-1,,,,0.6473453,ISDB,MAGPJVVGBCSWPF-HNNXBMFYSA-N,"InChI=1S/C20H23NO5/c1-24-17-9-13-12(18(23)20(17)26-3)6-7-21-10-14-11(8-15(13)21)4-5-16(22)19(14)25-2/h4-5,9,15,22-23H,6-8,10H2,1-3H3/t15-/m0/s1",COc1cc2c(c(O)c1OC)CCN1Cc3c(ccc(O)c3OC)C[C@@H]21,C20H23NO5,,357.157622836,MAGPJVVGBCSWPF,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fissistigma balansae,3868674.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Uvarieae'],['Fissistigma'],['Fissistigma balansae'],4,0,6.589381217956543 150633,6623,588,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,JUJTUEBXXGRSJB-MTAKFWDWSA-N,"InChI=1S/C17H26O9/c1-3-9-10-4-12(22-2)23-6-8(10)7-24-16(9)26-17-15(21)14(20)13(19)11(5-18)25-17/h3,7,9-21H,1,4-6H2,2H3/t9-,10-,11-,12-,13-,14+,15-,16+,17+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2CO[C@@H](OC)C[C@H]21,C17H26O9,pos_2MHCH3CN,374.1576824119999,JUJTUEBXXGRSJB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 150608,6620,-1,,,,0.5356616,ISDB,JDFAAKGOCYRYTJ-SECBINFHSA-N,"InChI=1S/C11H12O4/c1-15-9-5-4-7(13)10-6(12)2-3-8(14)11(9)10/h2-3,9,12,14H,4-5H2,1H3/t9-/m1/s1",CO[C@@H]1CCC(=O)c2c(O)ccc(O)c21,C11H12O4,,208.073558864,JDFAAKGOCYRYTJ,Polyketides,Naphthalenes,Naphthalenones,Juglans mandshurica,70093.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Juglandaceae'],['Unknown'],['Juglans'],['Juglans mandshurica'],4,0,6.142646312713623 150609,6620,-1,,,,0.5356616,ISDB,JDFAAKGOCYRYTJ-VIFPVBQESA-N,"InChI=1S/C11H12O4/c1-15-9-5-4-7(13)10-6(12)2-3-8(14)11(9)10/h2-3,9,12,14H,4-5H2,1H3/t9-/m0/s1",CO[C@H]1CCC(=O)c2c(O)ccc(O)c21,C11H12O4,,208.073558864,JDFAAKGOCYRYTJ,Polyketides,Naphthalenes,Naphthalenones,Engelhardia roxburghiana,722586.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Juglandaceae'],['Unknown'],['Engelhardia'],['Engelhardia roxburghiana'],4,0,6.142646312713623 150610,6620,-1,,,,0.5356616,ISDB,JDFAAKGOCYRYTJ-SECBINFHSA-N,"InChI=1S/C11H12O4/c1-15-9-5-4-7(13)10-6(12)2-3-8(14)11(9)10/h2-3,9,12,14H,4-5H2,1H3/t9-/m1/s1",CO[C@@H]1CCC(=O)c2c(O)ccc(O)c21,C11H12O4,,208.073558864,JDFAAKGOCYRYTJ,Polyketides,Naphthalenes,Naphthalenones,Juglans regia,138717.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Juglandaceae'],['Unknown'],['Juglans'],['Juglans regia'],4,0,6.142646312713623 150450,6619,982,Terpenoids,Diterpenoids,Pregnane steroids,0.48837522,ISDB,PQNOCJMPOHKMIT-HMCHPOHQSA-N,"InChI=1S/C22H36O4/c1-5-12-16(23)11-22(4)14-6-7-15-18(25)19(26)17(24)10-20(15,2)13(14)8-9-21(12,22)3/h12-15,17-19,24-26H,5-11H2,1-4H3/t12-,13-,14+,15+,17-,18+,19-,20+,21+,22-/m0/s1",CC[C@H]1C(=O)C[C@@]2(C)[C@@H]3CC[C@@H]4[C@@H](O)[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C,C22H36O4,,364.261359632,PQNOCJMPOHKMIT,Terpenoids,Steroids,Pregnane steroids,Epicharis densiflora,5747793.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Dysoxylum'],['Dysoxylum densiflorum'],4,3,7.453500866889954 150451,6619,982,Terpenoids,Diterpenoids,Pregnane steroids,0.48837522,ISDB,PQNOCJMPOHKMIT-HMCHPOHQSA-N,"InChI=1S/C22H36O4/c1-5-12-16(23)11-22(4)14-6-7-15-18(25)19(26)17(24)10-20(15,2)13(14)8-9-21(12,22)3/h12-15,17-19,24-26H,5-11H2,1-4H3/t12-,13-,14+,15+,17-,18+,19-,20+,21+,22-/m0/s1",CC[C@H]1C(=O)C[C@@]2(C)[C@@H]3CC[C@@H]4[C@@H](O)[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C,C22H36O4,,364.261359632,PQNOCJMPOHKMIT,Terpenoids,Steroids,Pregnane steroids,Dysoxylum densiflorum,5747793.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Dysoxylum'],['Dysoxylum densiflorum'],4,3,7.453500866889954 150443,6618,-1,,,,0.0,MS1_match,HTSYYNWISWGUIR-UHFFFAOYSA-N,"InChI=1S/C29H41NO6/c1-4-30-14-27(15-36-16-8-6-5-7-9-16)11-10-20(31)29-18-12-17-19(34-2)13-28(33,21(18)23(17)32)22(26(29)30)24(35-3)25(27)29/h5-9,17-26,31-33H,4,10-15H2,1-3H3",CCN1CC2(COc3ccccc3)CCC(O)C34C5CC6C(OC)CC(O)(C5C6O)C(C(OC)C23)C14,C29H41NO6,pos_1_1potassium,499.293388032,HTSYYNWISWGUIR,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Staphisagria macrosperma,969162.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Staphisagria'],['Staphisagria macrosperma'],6,0,6.0 150444,6618,-1,,,,0.0,MS1_match,HTSYYNWISWGUIR-UHFFFAOYSA-N,"InChI=1S/C29H41NO6/c1-4-30-14-27(15-36-16-8-6-5-7-9-16)11-10-20(31)29-18-12-17-19(34-2)13-28(33,21(18)23(17)32)22(26(29)30)24(35-3)25(27)29/h5-9,17-26,31-33H,4,10-15H2,1-3H3",CCN1CC2(COc3ccccc3)CCC(O)C34C5CC6C(OC)CC(O)(C5C6O)C(C(OC)C23)C14,C29H41NO6,pos_1_1potassium,499.293388032,HTSYYNWISWGUIR,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium staphisagria,969162.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Staphisagria'],['Staphisagria macrosperma'],6,0,6.0 150442,6614,316,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.21686122,ISDB,,,,,,,WISFBGZZZDIQKY,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.8674448728561401 150358,6612,1206,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,0.0,MS1_match,VGOHBZXHAWVRBT-UHFFFAOYSA-N,"InChI=1S/C17H24O3/c1-12(19)20-11-13-5-4-6-14(10-18)9-16-15(8-7-13)17(16,2)3/h5,9-10,15-16H,4,6-8,11H2,1-3H3",CC(=O)OCC1=CCCC(C=O)=CC2C(CC1)C2(C)C,C17H24O3,pos_1_1proton1methanol,276.172544628,VGOHBZXHAWVRBT,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,3,7.5 150359,6612,1206,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,0.0,MS1_match,BESWSXOVDJDSKQ-HUJQHWLQSA-N,"InChI=1S/C17H24O3/c1-11-6-5-7-13(19)8-9-14-16(17(14,3)4)15(10-11)20-12(2)18/h6,8-9,14-16H,5,7,10H2,1-4H3/b9-8-,11-6-/t14-,15+,16-/m0/s1",CC(=O)O[C@@H]1C/C(C)=C\CCC(=O)/C=C\[C@H]2[C@@H]1C2(C)C,C17H24O3,pos_1_1proton1methanol,276.172544628,BESWSXOVDJDSKQ,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,Valeriana fauriei,228778.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana fauriei'],6,3,7.5 150360,6612,1206,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,0.0,MS1_match,BESWSXOVDJDSKQ-HUJQHWLQSA-N,"InChI=1S/C17H24O3/c1-11-6-5-7-13(19)8-9-14-16(17(14,3)4)15(10-11)20-12(2)18/h6,8-9,14-16H,5,7,10H2,1-4H3/b9-8-,11-6-/t14-,15+,16-/m0/s1",CC(=O)O[C@@H]1C/C(C)=C\CCC(=O)/C=C\[C@H]2[C@@H]1C2(C)C,C17H24O3,pos_1_1proton1methanol,276.172544628,BESWSXOVDJDSKQ,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,3,7.5 150361,6612,1206,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,0.0,MS1_match,MQNYOYOQPDJLJV-PEXFBTPGSA-N,"InChI=1S/C17H24O3/c1-12(18)20-11-13-5-4-6-14(19)8-10-16-15(9-7-13)17(16,2)3/h5,8,10,15-16H,4,6-7,9,11H2,1-3H3/b10-8-,13-5+/t15-,16+/m1/s1",CC(=O)OC/C1=C/CCC(=O)/C=C\[C@H]2[C@@H](CC1)C2(C)C,C17H24O3,pos_1_1proton1methanol,276.172544628,MQNYOYOQPDJLJV,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,Valeriana fauriei,228778.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana fauriei'],6,3,7.5 150362,6612,1206,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,0.0,MS1_match,MQNYOYOQPDJLJV-PEXFBTPGSA-N,"InChI=1S/C17H24O3/c1-12(18)20-11-13-5-4-6-14(19)8-10-16-15(9-7-13)17(16,2)3/h5,8,10,15-16H,4,6-7,9,11H2,1-3H3/b10-8-,13-5+/t15-,16+/m1/s1",CC(=O)OC/C1=C/CCC(=O)/C=C\[C@H]2[C@@H](CC1)C2(C)C,C17H24O3,pos_1_1proton1methanol,276.172544628,MQNYOYOQPDJLJV,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,3,7.5 150363,6612,1206,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,0.0,MS1_match,VGOHBZXHAWVRBT-UHFFFAOYSA-N,"InChI=1S/C17H24O3/c1-12(19)20-11-13-5-4-6-14(10-18)9-16-15(8-7-13)17(16,2)3/h5,9-10,15-16H,4,6-8,11H2,1-3H3",CC(=O)OCC1=CCCC(C=O)=CC2C(CC1)C2(C)C,C17H24O3,pos_1_1proton1methanol,276.172544628,VGOHBZXHAWVRBT,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,Valeriana dageletiana,7625130.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana dageletiana'],6,3,7.5 150352,6598,-1,,,,0.0,MS1_match,BKATZVAUANSCKN-QWRGUYRKSA-N,"InChI=1S/C12H18O2/c1-8(13)14-7-9-4-5-10-6-11(9)12(10,2)3/h4,10-11H,5-7H2,1-3H3/t10-,11-/m0/s1",CC(=O)OCC1=CC[C@H]2C[C@@H]1C2(C)C,C12H18O2,pos_2MK,194.130679816,BKATZVAUANSCKN,Terpenoids,Monoterpenoids,Pinane monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 150353,6598,-1,,,,0.0,MS1_match,PBWRFXQNNGSAQG-UHFFFAOYSA-N,"InChI=1S/C12H18O2/c1-7(2)12-5-10(12)8(3)11(6-12)14-9(4)13/h7,10-11H,3,5-6H2,1-2,4H3",C=C1C(OC(C)=O)CC2(C(C)C)CC12,C12H18O2,pos_2MK,194.130679816,PBWRFXQNNGSAQG,Terpenoids,Monoterpenoids,Thujane monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 150354,6598,-1,,,,0.0,MS1_match,ALVJDUNBMKMTDC-UHFFFAOYSA-N,"InChI=1S/C12H18O2/c1-12(2,3)10-8-9(13-4)6-7-11(10)14-5/h6-8H,1-5H3",COc1ccc(OC)c(C(C)(C)C)c1,C12H18O2,pos_2MK,194.130679816,ALVJDUNBMKMTDC,Shikimates and Phenylpropanoids,,,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 150355,6598,-1,,,,0.0,MS1_match,RWENJYLCELUBAE-UHFFFAOYSA-N,"InChI=1S/C12H18O2/c1-8(2)10-6-11(13-4)9(3)12(7-10)14-5/h6-8H,1-5H3",COc1cc(C(C)C)cc(OC)c1C,C12H18O2,pos_2MK,194.130679816,RWENJYLCELUBAE,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 150356,6598,-1,,,,0.0,MS1_match,GVZSSHYAFJPRJY-GARJFASQSA-N,"InChI=1S/C12H18O2/c1-7-10-5-9(12(7,3)4)6-11(10)14-8(2)13/h9-11H,1,5-6H2,2-4H3/t9-,10-,11+/m0/s1",C=C1[C@@H]2C[C@@H](C[C@H]2OC(C)=O)C1(C)C,C12H18O2,pos_2MK,194.130679816,GVZSSHYAFJPRJY,Terpenoids,Monoterpenoids,Camphane monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 150357,6598,-1,,,,0.0,MS1_match,OZBFUQLOVFXDNK-VWYCJHECSA-N,"InChI=1S/C12H18O2/c1-7-5-11(14-8(2)13)10-6-9(7)12(10,3)4/h5,9-11H,6H2,1-4H3/t9-,10+,11+/m1/s1",CC(=O)O[C@H]1C=C(C)[C@H]2C[C@@H]1C2(C)C,C12H18O2,pos_2MK,194.130679816,OZBFUQLOVFXDNK,Terpenoids,Monoterpenoids,Pinane monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 150350,6597,303,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,0.2202239,ISDB,,,,,,,DMBWITJKQWBTJB,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.8808956146240234 150296,6595,-1,,,,0.38327837,ISDB,ACAXZYDRDZTBIF-MAVOBODLSA-N,"InChI=1S/C24H36O5/c1-15(4-7-20(26)27)17-5-6-18-21(17,2)10-9-19-22(3)11-8-16(25)14-23(22)12-13-24(18,19)29-28-23/h12-13,15-19,25H,4-11,14H2,1-3H3,(H,26,27)/t15-,16+,17-,18-,19-,21-,22-,23-,24+/m1/s1",C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@]23C=C[C@]2(C[C@@H](O)CC[C@]12C)OO3,C24H36O5,,404.256274252,ACAXZYDRDZTBIF,Terpenoids,Steroids,Cholane steroids,Mallotus macrostachyus,762461.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Mallotus'],['Mallotus macrostachyus'],4,0,5.533113479614258 150295,6593,562,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,ATFJUGCMEQBNLH-UHFFFAOYSA-N,"InChI=1S/C10H14O5/c1-10-6(12)2-4-5(3-11)9(15-10)14-8(13)7(4)10/h4-7,9,11-12H,2-3H2,1H3",CC12OC3OC(=O)C1C(CC2O)C3CO,C10H14O5,pos_1_1proton1acetonitrile,214.084123548,ATFJUGCMEQBNLH,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,0,6.0 150237,6590,7,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.24051662,ISDB,MWDFPCUZRNPYPD-PDPGQQONSA-N,"InChI=1S/C40H56O5/c1-22(2)24-17-26-28(19-30(24)42)40(10)16-12-14-38(7,8)35(40)34-33(26)44-36(45-34)27-18-25(23(3)4)31(43)20-29(27)39(9)15-11-13-37(5,6)32(39)21-41/h17-23,32-36,42-43H,11-16H2,1-10H3/t32-,33+,34-,35-,36+,39+,40+/m0/s1",CC(C)c1cc([C@H]2O[C@H]3[C@H](O2)c2cc(C(C)C)c(O)cc2[C@@]2(C)CCCC(C)(C)[C@H]32)c([C@@]2(C)CCCC(C)(C)[C@@H]2C=O)cc1O,C40H56O5,,616.412774892,MWDFPCUZRNPYPD,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinalia japonica,3979206.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Podochileae'],['Conchidium'],['Conchidium japonicum'],4,1,5.462066471576691 150238,6590,7,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.24051662,ISDB,MWDFPCUZRNPYPD-PDPGQQONSA-N,"InChI=1S/C40H56O5/c1-22(2)24-17-26-28(19-30(24)42)40(10)16-12-14-38(7,8)35(40)34-33(26)44-36(45-34)27-18-25(23(3)4)31(43)20-29(27)39(9)15-11-13-37(5,6)32(39)21-41/h17-23,32-36,42-43H,11-16H2,1-10H3/t32-,33+,34-,35-,36+,39+,40+/m0/s1",CC(C)c1cc([C@H]2O[C@H]3[C@H](O2)c2cc(C(C)C)c(O)cc2[C@@]2(C)CCCC(C)(C)[C@H]32)c([C@@]2(C)CCCC(C)(C)[C@@H]2C=O)cc1O,C40H56O5,,616.412774892,MWDFPCUZRNPYPD,Terpenoids,Diterpenoids,Abietane diterpenoids,Conchidium japonicum,3979206.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Podochileae'],['Conchidium'],['Conchidium japonicum'],4,1,5.462066471576691 150234,6589,-1,,,,0.0,MS1_match,LUDMVJVLHCEECS-PXKJKYEHSA-N,"InChI=1S/C27H42O12/c1-14(2)8-20(30)38-22(16(5)6)24(32)35-11-18-12-36-25(39-21(31)9-15(3)4)23-26(18,33)10-19(29)27(23,34)13-37-17(7)28/h12,14-16,19,22-23,25,29,33-34H,8-11,13H2,1-7H3/t19-,22+,23-,25-,26-,27+/m0/s1",CC(=O)OC[C@]1(O)[C@H]2[C@H](OC(=O)CC(C)C)OC=C(COC(=O)[C@H](OC(=O)CC(C)C)C(C)C)[C@@]2(O)C[C@@H]1O,C27H42O12,pos_1_sodium,558.267626784,LUDMVJVLHCEECS,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,0,6.0 150235,6589,-1,,,,0.0,MS1_match,LUDMVJVLHCEECS-UHFFFAOYSA-N,"InChI=1S/C27H42O12/c1-14(2)8-20(30)38-22(16(5)6)24(32)35-11-18-12-36-25(39-21(31)9-15(3)4)23-26(18,33)10-19(29)27(23,34)13-37-17(7)28/h12,14-16,19,22-23,25,29,33-34H,8-11,13H2,1-7H3",CC(=O)OCC1(O)C(O)CC2(O)C(COC(=O)C(OC(=O)CC(C)C)C(C)C)=COC(OC(=O)CC(C)C)C21,C27H42O12,pos_1_sodium,558.267626784,LUDMVJVLHCEECS,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana,393345.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Unknown'],6,0,6.0 150236,6589,-1,,,,0.0,MS1_match,LUDMVJVLHCEECS-HXTWUXIJSA-N,"InChI=1S/C27H42O12/c1-14(2)8-20(30)38-22(16(5)6)24(32)35-11-18-12-36-25(39-21(31)9-15(3)4)23-26(18,33)10-19(29)27(23,34)13-37-17(7)28/h12,14-16,19,22-23,25,29,33-34H,8-11,13H2,1-7H3/t19-,22-,23-,25-,26-,27-/m0/s1",CC(=O)OC[C@@]1(O)[C@H]2[C@H](OC(=O)CC(C)C)OC=C(COC(=O)[C@@H](OC(=O)CC(C)C)C(C)C)[C@@]2(O)C[C@@H]1O,C27H42O12,pos_1_sodium,558.267626784,LUDMVJVLHCEECS,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 150233,6586,-1,,,,0.0,MS1_match,CBIQGHYKUKDTIF-DBOWSLRKSA-N,"InChI=1S/C52H78O25/c1-20-14-70-52(43(63)35(20)59)29(15-66-22(3)54)34-32(77-52)13-28-26-8-7-24-11-25(56)12-33(50(24,6)27(26)9-10-49(28,34)5)73-47-42(40(31(58)17-68-47)74-45-37(61)36(60)30(57)16-67-45)76-46-38(62)41(39(21(2)71-46)72-23(4)55)75-48-44(64)51(65,18-53)19-69-48/h7,21,25-48,53,56-65H,1,8-19H2,2-6H3/t21-,25+,26+,27-,28-,29-,30+,31-,32-,33+,34-,35-,36-,37+,38+,39-,40-,41-,42+,43-,44-,45-,46-,47-,48-,49-,50-,51+,52-/m0/s1",C=C1CO[C@@]2(O[C@H]3C[C@H]4[C@@H]5CC=C6C[C@@H](O)C[C@@H](O[C@@H]7OC[C@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](OC(C)=O)[C@@H](O[C@@H]8OC[C@](O)(CO)[C@H]8O)[C@H]7O)[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2COC(C)=O)[C@@H](O)[C@H]1O,C52H78O25,pos_2_2proton2acetonitrile,1102.483217996,CBIQGHYKUKDTIF,Terpenoids,Steroids,Spirostane steroids,Helleborus orientalis,648046.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Helleboreae'],['Helleborus'],['Helleborus orientalis'],6,0,6.0 150227,6585,-1,,,,0.0,MS1_match,IUWMJMIMXOEDKV-UHFFFAOYSA-N,"InChI=1S/C20H22O8/c1-25-15-7-11(3-5-13(15)21)17-19(23)9-28-18(20(19,24)10-27-17)12-4-6-14(22)16(8-12)26-2/h3-8,17-18,21-24H,9-10H2,1-2H3",COc1cc(C2OCC3(O)C(c4ccc(O)c(OC)c4)OCC23O)ccc1O,C20H22O8,pos_1_1proton1ammonium,390.131467664,IUWMJMIMXOEDKV,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 150228,6585,-1,,,,0.0,MS1_match,IUWMJMIMXOEDKV-VNTMZGSJSA-N,"InChI=1S/C20H22O8/c1-25-15-7-11(3-5-13(15)21)17-19(23)9-28-18(20(19,24)10-27-17)12-4-6-14(22)16(8-12)26-2/h3-8,17-18,21-24H,9-10H2,1-2H3/t17-,18-,19+,20+/m0/s1",COc1cc([C@@H]2OC[C@@]3(O)[C@H](c4ccc(O)c(OC)c4)OC[C@@]23O)ccc1O,C20H22O8,pos_1_1proton1ammonium,390.1314676639999,IUWMJMIMXOEDKV,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Valeriana prionophylla,526653.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana prionophylla'],6,0,6.0 150229,6585,-1,,,,0.0,MS1_match,IUWMJMIMXOEDKV-UHFFFAOYSA-N,"InChI=1S/C20H22O8/c1-25-15-7-11(3-5-13(15)21)17-19(23)9-28-18(20(19,24)10-27-17)12-4-6-14(22)16(8-12)26-2/h3-8,17-18,21-24H,9-10H2,1-2H3",COc1cc(C2OCC3(O)C(c4ccc(O)c(OC)c4)OCC23O)ccc1O,C20H22O8,pos_1_1proton1ammonium,390.131467664,IUWMJMIMXOEDKV,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Valeriana laxiflora,844983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana laxiflora'],6,0,6.0 150230,6585,-1,,,,0.0,MS1_match,IUWMJMIMXOEDKV-UHFFFAOYSA-N,"InChI=1S/C20H22O8/c1-25-15-7-11(3-5-13(15)21)17-19(23)9-28-18(20(19,24)10-27-17)12-4-6-14(22)16(8-12)26-2/h3-8,17-18,21-24H,9-10H2,1-2H3",COc1cc(C2OCC3(O)C(c4ccc(O)c(OC)c4)OCC23O)ccc1O,C20H22O8,pos_1_1proton1ammonium,390.131467664,IUWMJMIMXOEDKV,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 150231,6585,-1,,,,0.0,MS1_match,IUWMJMIMXOEDKV-VNTMZGSJSA-N,"InChI=1S/C20H22O8/c1-25-15-7-11(3-5-13(15)21)17-19(23)9-28-18(20(19,24)10-27-17)12-4-6-14(22)16(8-12)26-2/h3-8,17-18,21-24H,9-10H2,1-2H3/t17-,18-,19+,20+/m0/s1",COc1cc([C@@H]2OC[C@@]3(O)[C@H](c4ccc(O)c(OC)c4)OC[C@@]23O)ccc1O,C20H22O8,pos_1_1proton1ammonium,390.1314676639999,IUWMJMIMXOEDKV,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Valeriana prionophylla,526653.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana prionophylla'],6,0,6.0 150232,6585,-1,,,,0.0,MS1_match,IUWMJMIMXOEDKV-UHFFFAOYSA-N,"InChI=1S/C20H22O8/c1-25-15-7-11(3-5-13(15)21)17-19(23)9-28-18(20(19,24)10-27-17)12-4-6-14(22)16(8-12)26-2/h3-8,17-18,21-24H,9-10H2,1-2H3",COc1cc(C2OCC3(O)C(c4ccc(O)c(OC)c4)OCC23O)ccc1O,C20H22O8,pos_1_1proton1ammonium,390.131467664,IUWMJMIMXOEDKV,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Valeriana laxiflora,844983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana laxiflora'],6,0,6.0 150223,6581,18,Alkaloids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,CVNWHGNSIXIBPG-GWKMRXIPSA-N,"InChI=1S/C20H24O5/c1-5-17(14-25-19(21)13-15(2)3)20(22)24-12-6-7-16-8-10-18(23-4)11-9-16/h5-11,13H,12,14H2,1-4H3/b7-6+,17-5-",C/C=C(/COC(=O)C=C(C)C)C(=O)OC/C=C/c1ccc(OC)cc1,C20H24O5,pos_1_1proton,344.162373868,CVNWHGNSIXIBPG,,,,Morina chinensis,68249.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Morina'],['Morina chinensis'],6,0,6.0 150224,6581,18,Alkaloids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,OOFFFDNFBGROFL-WYWILGHBSA-N,"InChI=1S/C20H24O5/c1-5-15(2)19(21)25-14-12-16(3)20(22)24-13-6-7-17-8-10-18(23-4)11-9-17/h5-12H,13-14H2,1-4H3/b7-6+,15-5-,16-12-",C/C=C(/C)C(=O)OC/C=C(/C)C(=O)OC/C=C/c1ccc(OC)cc1,C20H24O5,pos_1_1proton,344.162373868,OOFFFDNFBGROFL,,,,Morina chinensis,68249.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Morina'],['Morina chinensis'],6,0,6.0 150225,6581,18,Alkaloids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,KRXLVSZOLMEYHF-SUOLFYLESA-N,"InChI=1S/C20H24O5/c1-5-15(3)19(21)25-14-17(6-2)20(22)24-13-7-8-16-9-11-18(23-4)12-10-16/h5-12H,13-14H2,1-4H3/b8-7+,15-5-,17-6-",C/C=C(/C)C(=O)OC/C(=C/C)C(=O)OC/C=C/c1ccc(OC)cc1,C20H24O5,pos_1_1proton,344.162373868,KRXLVSZOLMEYHF,,,,Morina chinensis,68249.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Morina'],['Morina chinensis'],6,0,6.0 150226,6581,18,Alkaloids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,KRXLVSZOLMEYHF-UHFFFAOYSA-N,"InChI=1S/C20H24O5/c1-5-15(3)19(21)25-14-17(6-2)20(22)24-13-7-8-16-9-11-18(23-4)12-10-16/h5-12H,13-14H2,1-4H3",CC=C(C)C(=O)OCC(=CC)C(=O)OCC=Cc1ccc(OC)cc1,C20H24O5,pos_1_1proton,344.162373868,KRXLVSZOLMEYHF,,,,Cryptothladia chinensis,68249.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Morina'],['Morina chinensis'],6,0,6.0 150201,6580,37,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.8579796,ISDB,MGUTYWPZCZBAGE-JZDIRDTQSA-N,"InChI=1S/C44H78NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-17-15-13-11-9-7-2/h14,16,19-20,22-23,25,27,31,33,42H,6-13,15,17-18,21,24,26,28-30,32,34-41H2,1-5H3/b16-14-,20-19-,23-22-,27-25-,33-31-/t42-/m1/s1",CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C,C44H78NO8P,,779.546505086,MGUTYWPZCZBAGE,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Lysiphlebia japonica,697724.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hymenoptera'],['Braconidae'],['Unknown'],['Lysiphlebia'],['Lysiphlebia japonica'],1,3,5.931918382644653 150202,6580,37,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.8579796,ISDB,MGUTYWPZCZBAGE-JZDIRDTQSA-N,"InChI=1S/C44H78NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-17-15-13-11-9-7-2/h14,16,19-20,22-23,25,27,31,33,42H,6-13,15,17-18,21,24,26,28-30,32,34-41H2,1-5H3/b16-14-,20-19-,23-22-,27-25-,33-31-/t42-/m1/s1",CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C,C44H78NO8P,,779.546505086,MGUTYWPZCZBAGE,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Aphis gossypii,1026471.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hemiptera'],['Aphididae'],['Aphidini'],['Aphis'],['Aphis gossypii'],1,3,5.931918382644653 150196,6579,-1,,,,0.0,MS1_match,RPMNUQRUHXIGHK-UHFFFAOYSA-N,"InChI=1S/C27H30O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-8,10,18,20-30,32-36H,9H2,1H3",CC1OC(OC2C(Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3)OC(CO)C(O)C2O)C(O)C(O)C1O,C27H30O14,pos_2MH,578.16355564,RPMNUQRUHXIGHK,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Lonicera gracilipes,920854.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera gracilipes'],7,0,7.0 150197,6579,-1,,,,0.0,MS1_match,RPMNUQRUHXIGHK-PYXJVEIZSA-N,"InChI=1S/C27H30O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-8,10,18,20-30,32-36H,9H2,1H3/t10-,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O14,pos_2MH,578.16355564,RPMNUQRUHXIGHK,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 150193,6575,-1,,,,0.0,MS1_match,SFLJKERWIWKVDG-TVAJMVSCSA-N,"InChI=1S/C16H26O10/c1-15(22)7-5-24-14(21)16(2,23)6(7)3-9(15)26-13-12(20)11(19)10(18)8(4-17)25-13/h6-13,17-20,22-23H,3-5H2,1-2H3/t6-,7-,8+,9-,10+,11-,12+,13-,15-,16-/m0/s1",C[C@@]1(O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C[C@H]2[C@@H]1COC(=O)[C@@]2(C)O,C16H26O10,pos_1_1proton2acetonitrile,378.152597032,SFLJKERWIWKVDG,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia scabra,68239.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia scabra'],6,0,6.0 150194,6575,-1,,,,0.0,MS1_match,KVSQIVFQSWVUGM-GHADIOTFSA-N,"InChI=1S/C21H36O8/c1-9-5-12(23)15-10(9)6-11-13(7-21(15,4)29-20(11,2)3)27-19-18(26)17(25)16(24)14(8-22)28-19/h9-19,22-26H,5-8H2,1-4H3/t9-,10-,11+,12-,13+,14-,15+,16-,17+,18-,19+,21+/m1/s1",C[C@@H]1C[C@@H](O)[C@@H]2[C@@H]1C[C@H]1[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C[C@]2(C)OC1(C)C,C21H36O8,pos_1_minus1proton2sodium,416.241018112,KVSQIVFQSWVUGM,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 150195,6575,-1,,,,0.0,MS1_match,KVSQIVFQSWVUGM-GHADIOTFSA-N,"InChI=1S/C21H36O8/c1-9-5-12(23)15-10(9)6-11-13(7-21(15,4)29-20(11,2)3)27-19-18(26)17(25)16(24)14(8-22)28-19/h9-19,22-26H,5-8H2,1-4H3/t9-,10-,11+,12-,13+,14-,15+,16-,17+,18-,19+,21+/m1/s1",C[C@@H]1C[C@@H](O)[C@@H]2[C@@H]1C[C@H]1[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C[C@]2(C)OC1(C)C,C21H36O8,pos_1_minus1proton2sodium,416.241018112,KVSQIVFQSWVUGM,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Valeriana fauriei,228778.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana fauriei'],6,0,6.0 150190,6574,-1,,,,0.45651194,ISDB,MZSZEFRWURPSJY-JNWWKETESA-N,"InChI=1S/C16H17NO8/c1-5(18)25-15-12(19)10-6-2-8-9(24-4-23-8)3-7(6)16(22)17-11(10)13(20)14(15)21/h2-3,10-15,19-21H,4H2,1H3,(H,17,22)/t10-,11-,12-,13+,14+,15+/m1/s1",CC(=O)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H]2NC(=O)c3cc4c(cc3[C@H]2[C@H]1O)OCO4,C16H17NO8,,351.095416504,MZSZEFRWURPSJY,Alkaloids,Tyrosine alkaloids,Amarylidaceae alkaloids,Amaryllidaceae,17701.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Unknown'],['Unknown'],['Unknown'],4,0,5.826047778129578 150160,6573,30,Alkaloids,Tyrosine alkaloids,Cinnamic acid amides,0.835617,ISDB,NKLJXRAXPUMTJG-UHFFFAOYSA-N,"InChI=1S/C21H21NO5/c1-22-6-5-12-17-14(22)7-11-8-15(23-2)16(24-3)9-13(11)18(17)20-21(19(12)25-4)27-10-26-20/h7-9H,5-6,10H2,1-4H3",COc1cc2cc3c4c(c(OC)c5c(c4c2cc1OC)OCO5)CCN3C,C21H21NO5,,367.141972772,NKLJXRAXPUMTJG,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Thalictrum isopyroides,98291.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum isopyroides'],4,2,8.342468023300171 150154,6572,169,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LTVSLKWNAZKBEX-UHFFFAOYSA-N,"InChI=1S/C15H16O4/c1-10(2)5-15(17)19-8-12-7-18-9-14-11(6-16)3-4-13(12)14/h3-4,6-7,9-10H,5,8H2,1-2H3",CC(C)CC(=O)OCc1cocc2c(C=O)ccc1-2,C15H16O4,pos_1_1proton1ammonium,260.104858992,LTVSLKWNAZKBEX,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,3,7.5 150155,6572,169,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LTVSLKWNAZKBEX-UHFFFAOYSA-N,"InChI=1S/C15H16O4/c1-10(2)5-15(17)19-8-12-7-18-9-14-11(6-16)3-4-13(12)14/h3-4,6-7,9-10H,5,8H2,1-2H3",CC(C)CC(=O)OCc1cocc2c(C=O)ccc1-2,C15H16O4,pos_1_1proton1ammonium,260.104858992,LTVSLKWNAZKBEX,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana edulis,646604.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana edulis'],6,3,7.5 150156,6572,169,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LTVSLKWNAZKBEX-UHFFFAOYSA-N,"InChI=1S/C15H16O4/c1-10(2)5-15(17)19-8-12-7-18-9-14-11(6-16)3-4-13(12)14/h3-4,6-7,9-10H,5,8H2,1-2H3",CC(C)CC(=O)OCc1cocc2c(C=O)ccc1-2,C15H16O4,pos_1_1proton1ammonium,260.104858992,LTVSLKWNAZKBEX,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,3,7.5 150157,6572,169,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LTVSLKWNAZKBEX-UHFFFAOYSA-N,"InChI=1S/C15H16O4/c1-10(2)5-15(17)19-8-12-7-18-9-14-11(6-16)3-4-13(12)14/h3-4,6-7,9-10H,5,8H2,1-2H3",CC(C)CC(=O)OCc1cocc2c(C=O)ccc1-2,C15H16O4,pos_1_1proton1ammonium,260.104858992,LTVSLKWNAZKBEX,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia rupestris,1035977.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia rupestris'],6,3,7.5 150153,6571,-1,,,,0.0,MS1_match,GHKISGDRQRSCII-ZOCIIQOWSA-N,"InChI=1S/C20H19NO5/c1-21-7-13-11(2-3-15-20(13)26-9-23-15)18-14(22)4-10-5-16-17(25-8-24-16)6-12(10)19(18)21/h2-3,5-6,14,18-19,22H,4,7-9H2,1H3/t14-,18-,19+/m0/s1",CN1Cc2c(ccc3c2OCO3)[C@@H]2[C@H]1c1cc3c(cc1C[C@@H]2O)OCO3,C20H19NO5,pos_1_1proton1methanol,353.126322708,GHKISGDRQRSCII,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Symphoricarpos albus,717590.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Symphoricarpos'],['Symphoricarpos albus'],6,0,6.0 150152,6570,-1,,,,0.0,MS1_match,FEJTUHSIRAJLOJ-UHFFFAOYSA-N,"InChI=1S/C13H14N2O3/c1-8-6-9-11(10(16)7-8)12(13(17)18)15-5-3-2-4-14(9)15/h6-7H,2-5H2,1H3,(H,17,18)",Cc1cc2n3n(c(C(=O)O)c-2c(=O)c1)CCCC3,C13H14N2O3,pos_2MNa,246.100442308,FEJTUHSIRAJLOJ,Alkaloids,,,Nigella sativa,142360.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Nigelleae'],['Nigella'],['Nigella sativa'],6,0,6.0 150116,6569,1178,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.87899154,ISDB,PXSBFPSCQXSITH-BQULAQKPSA-N,"InChI=1S/C18H23NO5/c1-21-11-6-9-8-19-5-4-18-16(19)13(10(9)7-12(11)22-2)14(20)15(23-3)17(18)24-18/h6-7,13-17,20H,4-5,8H2,1-3H3/t13-,14+,15-,16+,17+,18-/m1/s1",COc1cc2c(cc1OC)[C@@H]1[C@H](O)[C@@H](OC)[C@@H]3O[C@@]34CCN(C2)[C@@H]14,C18H23NO5,,333.157622836,PXSBFPSCQXSITH,Alkaloids,Tyrosine alkaloids,Amarylidaceae alkaloids,Lycoris incarnata,992964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Unknown'],['Lycoris'],['Lycoris incarnata'],4,0,7.515966176986694 150117,6569,1178,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.87899154,ISDB,PXSBFPSCQXSITH-BQULAQKPSA-N,"InChI=1S/C18H23NO5/c1-21-11-6-9-8-19-5-4-18-16(19)13(10(9)7-12(11)22-2)14(20)15(23-3)17(18)24-18/h6-7,13-17,20H,4-5,8H2,1-3H3/t13-,14+,15-,16+,17+,18-/m1/s1",COc1cc2c(cc1OC)[C@@H]1[C@H](O)[C@@H](OC)[C@@H]3O[C@@]34CCN(C2)[C@@H]14,C18H23NO5,,333.157622836,PXSBFPSCQXSITH,Alkaloids,Tyrosine alkaloids,Amarylidaceae alkaloids,Galanthus elwesii,1090686.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Unknown'],['Galanthus'],['Galanthus elwesii'],4,0,7.515966176986694 150102,6565,-1,,,,0.68463564,ISDB,CJYNYVSDQZLRSG-URVUXULASA-N,"InChI=1S/C22H27NO6/c1-23-9-8-12-10-16(26-3)17(27-4)11-14(12)20-19(23)13-6-7-15(25-2)21(28-5)18(13)22(24)29-20/h6-7,10-11,19-20,22,24H,8-9H2,1-5H3/t19-,20+,22+/m1/s1",COc1cc2c(cc1OC)[C@@H]1O[C@H](O)c3c(ccc(OC)c3OC)[C@H]1N(C)CC2,C22H27NO6,,401.183837584,CJYNYVSDQZLRSG,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver bracteatum,237538.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver bracteatum'],4,0,6.738542556762695 150103,6565,-1,,,,0.68463564,ISDB,CJYNYVSDQZLRSG-URVUXULASA-N,"InChI=1S/C22H27NO6/c1-23-9-8-12-10-16(26-3)17(27-4)11-14(12)20-19(23)13-6-7-15(25-2)21(28-5)18(13)22(24)29-20/h6-7,10-11,19-20,22,24H,8-9H2,1-5H3/t19-,20+,22+/m1/s1",COc1cc2c(cc1OC)[C@@H]1O[C@H](O)c3c(ccc(OC)c3OC)[C@H]1N(C)CC2,C22H27NO6,,401.183837584,CJYNYVSDQZLRSG,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver nudicaule,784404.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver nudicaule'],4,0,6.738542556762695 150104,6565,-1,,,,0.68463564,ISDB,CJYNYVSDQZLRSG-URVUXULASA-N,"InChI=1S/C22H27NO6/c1-23-9-8-12-10-16(26-3)17(27-4)11-14(12)20-19(23)13-6-7-15(25-2)21(28-5)18(13)22(24)29-20/h6-7,10-11,19-20,22,24H,8-9H2,1-5H3/t19-,20+,22+/m1/s1",COc1cc2c(cc1OC)[C@@H]1O[C@H](O)c3c(ccc(OC)c3OC)[C@H]1N(C)CC2,C22H27NO6,,401.183837584,CJYNYVSDQZLRSG,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver kerneri,7591121.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver kerneri'],4,0,6.738542556762695 150105,6565,-1,,,,0.68463564,ISDB,CJYNYVSDQZLRSG-URVUXULASA-N,"InChI=1S/C22H27NO6/c1-23-9-8-12-10-16(26-3)17(27-4)11-14(12)20-19(23)13-6-7-15(25-2)21(28-5)18(13)22(24)29-20/h6-7,10-11,19-20,22,24H,8-9H2,1-5H3/t19-,20+,22+/m1/s1",COc1cc2c(cc1OC)[C@@H]1O[C@H](O)c3c(ccc(OC)c3OC)[C@H]1N(C)CC2,C22H27NO6,,401.183837584,CJYNYVSDQZLRSG,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver orientale,171970.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver orientale'],4,0,6.738542556762695 150106,6565,-1,,,,0.68463564,ISDB,CJYNYVSDQZLRSG-UHFFFAOYSA-N,"InChI=1S/C22H27NO6/c1-23-9-8-12-10-16(26-3)17(27-4)11-14(12)20-19(23)13-6-7-15(25-2)21(28-5)18(13)22(24)29-20/h6-7,10-11,19-20,22,24H,8-9H2,1-5H3",COc1cc2c(cc1OC)C1OC(O)c3c(ccc(OC)c3OC)C1N(C)CC2,C22H27NO6,,401.183837584,CJYNYVSDQZLRSG,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver setiferum,237513.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver pseudo-orientale'],4,0,6.738542556762695 150107,6565,-1,,,,0.68463564,ISDB,CJYNYVSDQZLRSG-JAXLGGSGSA-N,"InChI=1S/C22H27NO6/c1-23-9-8-12-10-16(26-3)17(27-4)11-14(12)20-19(23)13-6-7-15(25-2)21(28-5)18(13)22(24)29-20/h6-7,10-11,19-20,22,24H,8-9H2,1-5H3/t19-,20-,22+/m0/s1",COc1cc2c(cc1OC)[C@@H]1O[C@@H](O)c3c(ccc(OC)c3OC)[C@@H]1N(C)CC2,C22H27NO6,,401.183837584,CJYNYVSDQZLRSG,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver tatricum,740024.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver tatricum'],4,0,6.738542556762695 150108,6565,-1,,,,0.68463564,ISDB,CJYNYVSDQZLRSG-JAXLGGSGSA-N,"InChI=1S/C22H27NO6/c1-23-9-8-12-10-16(26-3)17(27-4)11-14(12)20-19(23)13-6-7-15(25-2)21(28-5)18(13)22(24)29-20/h6-7,10-11,19-20,22,24H,8-9H2,1-5H3/t19-,20-,22+/m0/s1",COc1cc2c(cc1OC)[C@@H]1O[C@@H](O)c3c(ccc(OC)c3OC)[C@@H]1N(C)CC2,C22H27NO6,,401.183837584,CJYNYVSDQZLRSG,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver pygmaeum,3944896.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver pygmaeum'],4,0,6.738542556762695 150109,6565,-1,,,,0.68463564,ISDB,CJYNYVSDQZLRSG-JAXLGGSGSA-N,"InChI=1S/C22H27NO6/c1-23-9-8-12-10-16(26-3)17(27-4)11-14(12)20-19(23)13-6-7-15(25-2)21(28-5)18(13)22(24)29-20/h6-7,10-11,19-20,22,24H,8-9H2,1-5H3/t19-,20-,22+/m0/s1",COc1cc2c(cc1OC)[C@@H]1O[C@@H](O)c3c(ccc(OC)c3OC)[C@@H]1N(C)CC2,C22H27NO6,,401.183837584,CJYNYVSDQZLRSG,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver alpinum,740031.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver alpinum'],4,0,6.738542556762695 150110,6565,-1,,,,0.68463564,ISDB,CJYNYVSDQZLRSG-RZUBCFFCSA-N,"InChI=1S/C22H27NO6/c1-23-9-8-12-10-16(26-3)17(27-4)11-14(12)20-19(23)13-6-7-15(25-2)21(28-5)18(13)22(24)29-20/h6-7,10-11,19-20,22,24H,8-9H2,1-5H3/t19-,20+,22-/m1/s1",COc1cc2c(cc1OC)[C@@H]1O[C@@H](O)c3c(ccc(OC)c3OC)[C@H]1N(C)CC2,C22H27NO6,,401.183837584,CJYNYVSDQZLRSG,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver armeniacum,605764.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver armeniacum'],4,0,6.738542556762695 150111,6565,-1,,,,0.68463564,ISDB,CJYNYVSDQZLRSG-RZUBCFFCSA-N,"InChI=1S/C22H27NO6/c1-23-9-8-12-10-16(26-3)17(27-4)11-14(12)20-19(23)13-6-7-15(25-2)21(28-5)18(13)22(24)29-20/h6-7,10-11,19-20,22,24H,8-9H2,1-5H3/t19-,20+,22-/m1/s1",COc1cc2c(cc1OC)[C@@H]1O[C@@H](O)c3c(ccc(OC)c3OC)[C@H]1N(C)CC2,C22H27NO6,,401.183837584,CJYNYVSDQZLRSG,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver fugax,6130809.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver fugax'],4,0,6.738542556762695 150112,6565,-1,,,,0.68463564,ISDB,CJYNYVSDQZLRSG-RZUBCFFCSA-N,"InChI=1S/C22H27NO6/c1-23-9-8-12-10-16(26-3)17(27-4)11-14(12)20-19(23)13-6-7-15(25-2)21(28-5)18(13)22(24)29-20/h6-7,10-11,19-20,22,24H,8-9H2,1-5H3/t19-,20+,22-/m1/s1",COc1cc2c(cc1OC)[C@@H]1O[C@@H](O)c3c(ccc(OC)c3OC)[C@H]1N(C)CC2,C22H27NO6,,401.183837584,CJYNYVSDQZLRSG,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver macrostomum,84036.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver macrostomum'],4,0,6.738542556762695 150092,6562,280,Alkaloids,Monoterpenoids,Terpenoid alkaloids,0.0,MS1_match,YFVGIJBUXMQFOF-PJOVQGMDSA-N,"InChI=1S/C28H32O14/c1-11-21(31)23(33)25(35)27(39-11)38-10-19-22(32)24(34)26(36)28(42-19)40-14-7-15(29)20-16(30)9-17(41-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-9,11,19,21-29,31-36H,10H2,1-2H3/t11-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1",COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1,C28H32O14,pos_2_2proton2acetonitrile,592.1792057039999,YFVGIJBUXMQFOF,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Nardostachys jatamansi,24101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Nardostachys'],['Nardostachys jatamansi'],6,0,6.0 150093,6562,280,Alkaloids,Monoterpenoids,Terpenoid alkaloids,0.0,MS1_match,YFVGIJBUXMQFOF-PJOVQGMDSA-N,"InChI=1S/C28H32O14/c1-11-21(31)23(33)25(35)27(39-11)38-10-19-22(32)24(34)26(36)28(42-19)40-14-7-15(29)20-16(30)9-17(41-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-9,11,19,21-29,31-36H,10H2,1-2H3/t11-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1",COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1,C28H32O14,pos_2_2proton2acetonitrile,592.1792057039999,YFVGIJBUXMQFOF,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Nardostachys jatamansi,24101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Nardostachys'],['Nardostachys jatamansi'],6,0,6.0 150089,6560,642,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ZWCCPUWSKJGJNH-UHFFFAOYSA-N,"InChI=1S/C32H50O13/c1-17(2)10-24(34)42-16-32(39)23(43-21(9)33)13-31(38)22(15-41-30(28(31)32)45-26(36)12-19(5)6)14-40-29(37)27(20(7)8)44-25(35)11-18(3)4/h15,17-20,23,27-28,30,38-39H,10-14,16H2,1-9H3",CC(=O)OC1CC2(O)C(COC(=O)C(OC(=O)CC(C)C)C(C)C)=COC(OC(=O)CC(C)C)C2C1(O)COC(=O)CC(C)C,C32H50O13,pos_2_2sodium,642.32514166,ZWCCPUWSKJGJNH,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 150090,6560,642,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ZWCCPUWSKJGJNH-GIBMAKMFSA-N,"InChI=1S/C32H50O13/c1-17(2)10-24(34)42-16-32(39)23(43-21(9)33)13-31(38)22(15-41-30(28(31)32)45-26(36)12-19(5)6)14-40-29(37)27(20(7)8)44-25(35)11-18(3)4/h15,17-20,23,27-28,30,38-39H,10-14,16H2,1-9H3/t23-,27+,28-,30-,31-,32+/m0/s1",CC(=O)O[C@H]1C[C@]2(O)C(COC(=O)[C@H](OC(=O)CC(C)C)C(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]1(O)COC(=O)CC(C)C,C32H50O13,pos_2_2sodium,642.32514166,ZWCCPUWSKJGJNH,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,0,6.0 150091,6560,642,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ZWCCPUWSKJGJNH-ZTJXRXMQSA-N,"InChI=1S/C32H50O13/c1-17(2)10-24(34)42-16-32(39)23(43-21(9)33)13-31(38)22(15-41-30(28(31)32)45-26(36)12-19(5)6)14-40-29(37)27(20(7)8)44-25(35)11-18(3)4/h15,17-20,23,27-28,30,38-39H,10-14,16H2,1-9H3/t23-,27?,28-,30-,31-,32+/m0/s1",CC(=O)O[C@H]1C[C@]2(O)C(COC(=O)C(OC(=O)CC(C)C)C(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]1(O)COC(=O)CC(C)C,C32H50O13,pos_2_2sodium,642.32514166,ZWCCPUWSKJGJNH,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Nardostachys jatamansi,24101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Nardostachys'],['Nardostachys jatamansi'],6,0,6.0 150088,6559,362,Terpenoids,Monoterpenoids,Camphane monoterpenoids,0.0,MS1_match,UPJVQRZPXLZUET-KGHQQZOUSA-N,"InChI=1S/C28H46O3/c1-18(2)19(3)7-8-20(4)22-9-10-23-25(22,5)13-12-24-26(6)14-11-21(29)17-27(26,30)15-16-28(23,24)31/h7-8,15-16,18-24,29-31H,9-14,17H2,1-6H3/b8-7+/t19-,20+,21-,22+,23+,24+,25+,26+,27+,28-/m0/s1",CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@]3(O)C=C[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C28H46O3,pos_1_1proton1ammonium,430.344695332,UPJVQRZPXLZUET,Terpenoids,Steroids,Cholestane steroids,Patrinia rupestris,1035977.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia rupestris'],6,1,6.5 150086,6558,-1,,,,0.0,MS1_match,XQVQOVDNWBXCHM-HBGFXZTGSA-N,"InChI=1S/C25H32O14/c1-7-16-17(8-9-26)18(23(31)32-6)10-34-24(16)39-25-22(37-15(5)30)21(36-14(4)29)20(35-13(3)28)19(38-25)11-33-12(2)27/h7,9-10,16-17,19-22,24-25H,1,8,11H2,2-6H3/t16?,17?,19-,20-,21+,22-,24+,25+/m1/s1",C=CC1C(CC=O)C(C(=O)OC)=CO[C@H]1O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O,C25H32O14,pos_1_1proton1acetonitrile,556.179205704,XQVQOVDNWBXCHM,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],8,0,8.0 150087,6558,-1,,,,0.0,MS1_match,SQWBLOVFMFTTHY-CUQQVVPFSA-N,"InChI=1S/C26H31NO13/c1-2-15-16(6-5-13-8-14(23(34)35)10-27(9-13)7-3-4-19(29)30)17(24(36)37)12-38-25(15)40-26-22(33)21(32)20(31)18(11-28)39-26/h2,5-6,8-10,12,15-16,18,20-22,25-26,28,31-33H,1,3-4,7,11H2,(H2-,29,30,34,35,36,37)/b6-5+/t15-,16+,18-,20-,21+,22-,25+,26+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)[O-])[C@H]1/C=C/c1cc(C(=O)O)c[n+](CCCC(=O)O)c1,C26H31NO13,pos_1_1proton1methanol,565.179540052,SQWBLOVFMFTTHY,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],8,0,8.0 150078,6555,30,Alkaloids,Tyrosine alkaloids,Cinnamic acid amides,0.5429327,ISDB,RIYORZPRGANLCW-UHFFFAOYSA-N,"InChI=1S/C17H19NO4/c19-14-5-1-12(2-6-14)9-10-18-17(22)8-4-13-3-7-15(20)16(21)11-13/h1-3,5-7,11,19-21H,4,8-10H2,(H,18,22)",O=C(CCc1ccc(O)c(O)c1)NCCc1ccc(O)cc1,C17H19NO4,,301.131408088,RIYORZPRGANLCW,Amino acids and Peptides,Phenylpropanoids (C6-C3),Cinnamic acid amides,Lycium chinense,58730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium chinense'],4,3,7.6717307567596436 149999,6554,-1,,,,0.84195065,ISDB,IWRZCJCFXSVREX-INIZCTEOSA-N,"InChI=1S/C18H19NO3/c1-22-18-8-11-4-5-19-10-12-2-3-14(20)6-13(12)7-16(19)15(11)9-17(18)21/h2-3,6,8-9,16,20-21H,4-5,7,10H2,1H3/t16-/m0/s1",COc1cc2c(cc1O)[C@@H]1Cc3cc(O)ccc3CN1CC2,C18H19NO3,,297.136493468,IWRZCJCFXSVREX,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Aniba canelilla,6025330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Aniba'],['Aniba canelilla'],4,0,7.367802619934082 149998,6552,1669,,,,0.31549424,ISDB,,,,,,,MYNVMBICAGQOMG,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.261976957321167 149997,6551,30,Alkaloids,Tyrosine alkaloids,Cinnamic acid amides,0.55674994,ISDB,,,,,,,RRNBQRFYTJZBGR,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.2269997596740723 149994,6550,-1,,,,0.0,MS1_match,NJZKNNCKRZJHCK-OGGREQCXSA-N,"InChI=1S/C30H34O16/c31-12-19-23(36)25(38)28(41)30(44-19)46-22(35)10-5-15-3-8-18(17(33)11-15)43-29-27(40)26(39)24(37)20(45-29)13-42-21(34)9-4-14-1-6-16(32)7-2-14/h1-11,19-20,23-33,36-41H,12-13H2/b9-4+,10-5+/t19-,20-,23-,24-,25+,26+,27-,28-,29-,30+/m1/s1",O=C(/C=C/c1ccc(O)cc1)OC[C@H]1O[C@@H](Oc2ccc(/C=C/C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2O)[C@H](O)[C@@H](O)[C@@H]1O,C30H34O16,pos_2_2sodium,650.1846850080001,NJZKNNCKRZJHCK,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis tashiroi,21287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tashiroi'],8,0,8.0 149995,6550,-1,,,,0.0,MS1_match,HFIRFUKEPOQTLQ-KTFGOVRASA-N,"InChI=1S/C30H34O16/c31-12-19-23(36)25(38)28(41)30(44-19)46-22(35)10-4-14-1-6-16(7-2-14)43-29-27(40)26(39)24(37)20(45-29)13-42-21(34)9-5-15-3-8-17(32)18(33)11-15/h1-11,19-20,23-33,36-41H,12-13H2/b9-5+,10-4+/t19-,20-,23-,24-,25+,26+,27-,28-,29-,30+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](Oc2ccc(/C=C/C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C30H34O16,pos_2_2sodium,650.184685008,HFIRFUKEPOQTLQ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis tashiroi,21287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tashiroi'],8,0,8.0 149996,6550,-1,,,,0.0,MS1_match,NLMURPQWNRGYTM-OGGREQCXSA-N,"InChI=1S/C30H34O16/c31-12-19-23(36)25(38)28(41)30(44-19)46-22(35)10-5-15-3-8-17(33)18(11-15)43-29-27(40)26(39)24(37)20(45-29)13-42-21(34)9-4-14-1-6-16(32)7-2-14/h1-11,19-20,23-33,36-41H,12-13H2/b9-4+,10-5+/t19-,20-,23-,24-,25+,26+,27-,28-,29-,30+/m1/s1",O=C(/C=C/c1ccc(O)cc1)OC[C@H]1O[C@@H](Oc2cc(/C=C/C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2O)[C@H](O)[C@@H](O)[C@@H]1O,C30H34O16,pos_2_2sodium,650.1846850080001,NLMURPQWNRGYTM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis tashiroi,21287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tashiroi'],8,0,8.0 149992,6545,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.8140927,ISDB,,,,,,,BEKYZOSRHNMGCR,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,3.256370782852173 149991,6543,122,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Iridoids monoterpenoids,0.0,MS1_match,LSWIQAFXJMEWTA-UHFFFAOYSA-N,"InChI=1S/C16H20O4/c1-5-12(2)16(17)20-10-6-7-13-8-9-14(18-3)15(11-13)19-4/h5-9,11H,10H2,1-4H3",CC=C(C)C(=O)OCC=Cc1ccc(OC)c(OC)c1,C16H20O4,pos_1_1proton1ammonium,276.13615912,LSWIQAFXJMEWTA,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Morina chinensis,68249.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Morina'],['Morina chinensis'],6,2,7.0 149986,6540,-1,,,,0.0,MS1_match,PRCDDNKVZQBPNG-YBWZTWLNSA-N,"InChI=1S/C18H30O3/c1-11-9-14(20-12(2)19)15-17(11,5)10-13-7-8-18(15,6)21-16(13,3)4/h11,13-15H,7-10H2,1-6H3/t11-,13-,14-,15-,17-,18+/m1/s1",CC(=O)O[C@@H]1C[C@@H](C)[C@@]2(C)C[C@H]3CC[C@](C)(OC3(C)C)[C@H]12,C18H30O3,pos_1_1potassium,294.21949482,PRCDDNKVZQBPNG,Terpenoids,Sesquiterpenoids,,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 149976,6532,-1,,,,0.48381642,ISDB,,,,,,,RTDIKSCKKJORSI,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.9352656602859497 149975,6531,298,Polyketides,Phenylpropanoids (C6-C3),Macrolide lactones,0.0,MS1_match,CTRDXWHAKGQMPY-GARJFASQSA-N,"InChI=1S/C12H22O4/c1-9-6-4-2-3-5-7-10(13)11(14)8-12(15)16-9/h9-11,13-14H,2-8H2,1H3/t9-,10-,11+/m0/s1",C[C@H]1CCCCCC[C@H](O)[C@H](O)CC(=O)O1,C12H22O4,pos_1_1proton1acetonitrile,230.151809184,CTRDXWHAKGQMPY,Polyketides,Macrolides,Macrolide lactones,Gymnosporia acuminata,906995.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Maytenus'],['Maytenus hookeri'],6,3,7.5 149971,6529,-1,,,,0.0,MS1_match,NDHTVWHEZTVRJI-HVLDEAOBSA-N,"InChI=1S/C27H40O10/c1-15(2)8-22(29)35-14-27(32)21(36-23(30)9-16(3)4)11-20-19(12-33-18(7)28)13-34-26(25(20)27)37-24(31)10-17(5)6/h11,13,15-17,21,25-26,32H,8-10,12,14H2,1-7H3/t21-,25+,26-,27+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]2(O)COC(=O)CC(C)C,C27H40O10,pos_2_1proton1sodium,524.26214748,NDHTVWHEZTVRJI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 149972,6529,-1,,,,0.0,MS1_match,NDHTVWHEZTVRJI-HVLDEAOBSA-N,"InChI=1S/C27H40O10/c1-15(2)8-22(29)35-14-27(32)21(36-23(30)9-16(3)4)11-20-19(12-33-18(7)28)13-34-26(25(20)27)37-24(31)10-17(5)6/h11,13,15-17,21,25-26,32H,8-10,12,14H2,1-7H3/t21-,25+,26-,27+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]2(O)COC(=O)CC(C)C,C27H40O10,pos_2_1proton1sodium,524.26214748,NDHTVWHEZTVRJI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana fauriei,228778.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana fauriei'],6,0,6.0 149973,6529,-1,,,,0.0,MS1_match,NDHTVWHEZTVRJI-HVLDEAOBSA-N,"InChI=1S/C27H40O10/c1-15(2)8-22(29)35-14-27(32)21(36-23(30)9-16(3)4)11-20-19(12-33-18(7)28)13-34-26(25(20)27)37-24(31)10-17(5)6/h11,13,15-17,21,25-26,32H,8-10,12,14H2,1-7H3/t21-,25+,26-,27+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]2(O)COC(=O)CC(C)C,C27H40O10,pos_2_1proton1sodium,524.26214748,NDHTVWHEZTVRJI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana alliariifolia,5746411.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana alliariifolia'],6,0,6.0 149974,6529,-1,,,,0.0,MS1_match,YPWCGDRLINNRAD-HVLDEAOBSA-N,"InChI=1S/C27H40O10/c1-15(2)8-22(29)33-12-19-13-34-26(37-24(31)10-17(5)6)25-20(19)11-21(36-18(7)28)27(25,32)14-35-23(30)9-16(3)4/h11,13,15-17,21,25-26,32H,8-10,12,14H2,1-7H3/t21-,25+,26-,27+/m0/s1",CC(=O)O[C@H]1C=C2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]1(O)COC(=O)CC(C)C,C27H40O10,pos_2_1proton1sodium,524.26214748,YPWCGDRLINNRAD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,0,6.0 149954,6521,-1,,,,0.0,MS1_match,BIIOUOJJWZXURZ-ARILJUKYSA-N,"InChI=1S/C15H26O2/c1-10(2)11-5-6-14(3)8-12(16)9-15(4,17)13(14)7-11/h11-13,16-17H,1,5-9H2,2-4H3/t11-,12-,13-,14+,15-/m1/s1",C=C(C)[C@@H]1CC[C@@]2(C)C[C@@H](O)C[C@@](C)(O)[C@@H]2C1,C15H26O2,pos_1_1proton1methanol,238.193280072,BIIOUOJJWZXURZ,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,0,6.0 149955,6521,-1,,,,0.0,MS1_match,WKGPQOAMUAIBRO-KPRRGPHJSA-N,"InChI=1S/C15H26O2/c1-9-5-6-15(17)13(2,3)11-7-10(9)14(15,4)8-12(11)16/h9-12,16-17H,5-8H2,1-4H3/t9-,10-,11-,12-,14-,15+/m0/s1",C[C@H]1CC[C@@]2(O)C(C)(C)[C@H]3C[C@@H]1[C@]2(C)C[C@@H]3O,C15H26O2,pos_1_1proton1methanol,238.193280072,WKGPQOAMUAIBRO,Terpenoids,Sesquiterpenoids,Patchoulane sesquiterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,0,6.0 149956,6521,-1,,,,0.0,MS1_match,SCYYILSHQOYTTA-CGNPOWQISA-N,"InChI=1S/C15H26O2/c1-9-5-6-11-10(9)7-12-13(16)8-15(11,4)17-14(12,2)3/h9-13,16H,5-8H2,1-4H3/t9-,10-,11-,12+,13+,15+/m1/s1",C[C@@H]1CC[C@@H]2[C@@H]1C[C@H]1[C@@H](O)C[C@]2(C)OC1(C)C,C15H26O2,pos_1_1proton1methanol,238.193280072,SCYYILSHQOYTTA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Valeriana fauriei,228778.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana fauriei'],6,0,6.0 149957,6521,-1,,,,0.0,MS1_match,SCYYILSHQOYTTA-CGNPOWQISA-N,"InChI=1S/C15H26O2/c1-9-5-6-11-10(9)7-12-13(16)8-15(11,4)17-14(12,2)3/h9-13,16H,5-8H2,1-4H3/t9-,10-,11-,12+,13+,15+/m1/s1",C[C@@H]1CC[C@@H]2[C@@H]1C[C@H]1[C@@H](O)C[C@]2(C)OC1(C)C,C15H26O2,pos_1_1proton1methanol,238.193280072,SCYYILSHQOYTTA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 149958,6521,-1,,,,0.0,MS1_match,ZADVMZUKWWMSLQ-PVZBEVCSSA-N,"InChI=1S/C15H26O2/c1-9-7-12(16)13-11(9)8-10-5-6-15(13,4)17-14(10,2)3/h9-13,16H,5-8H2,1-4H3/t9-,10+,11-,12-,13+,15-/m1/s1",C[C@@H]1C[C@@H](O)[C@@H]2[C@@H]1C[C@@H]1CC[C@@]2(C)OC1(C)C,C15H26O2,pos_1_1proton1methanol,238.193280072,ZADVMZUKWWMSLQ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Valeriana fauriei,228778.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana fauriei'],6,0,6.0 149959,6521,-1,,,,0.0,MS1_match,ZADVMZUKWWMSLQ-PVZBEVCSSA-N,"InChI=1S/C15H26O2/c1-9-7-12(16)13-11(9)8-10-5-6-15(13,4)17-14(10,2)3/h9-13,16H,5-8H2,1-4H3/t9-,10+,11-,12-,13+,15-/m1/s1",C[C@@H]1C[C@@H](O)[C@@H]2[C@@H]1C[C@@H]1CC[C@@]2(C)OC1(C)C,C15H26O2,pos_1_1proton1methanol,238.193280072,ZADVMZUKWWMSLQ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 149960,6521,-1,,,,0.0,MS1_match,UTNQUNGFEKWBQT-HHHGZCDHSA-N,"InChI=1S/C15H26O2/c1-10(2)11-8-14(4)13(3)6-5-7-15(14,16)17-12(11)9-13/h10-12,16H,5-9H2,1-4H3/t11-,12-,13+,14-,15?/m1/s1",CC(C)[C@H]1C[C@@]2(C)C3(O)CCC[C@@]2(C)C[C@H]1O3,C15H26O2,pos_1_1proton1methanol,238.193280072,UTNQUNGFEKWBQT,Terpenoids,Sesquiterpenoids,Valerane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 149961,6521,-1,,,,0.0,MS1_match,WKGPQOAMUAIBRO-FCNPYSRZSA-N,"InChI=1S/C15H26O2/c1-9-5-6-15(17)13(2,3)11-7-10(9)14(15,4)8-12(11)16/h9-12,16-17H,5-8H2,1-4H3/t9-,10-,11-,12+,14-,15+/m0/s1",C[C@H]1CC[C@@]2(O)C(C)(C)[C@H]3C[C@@H]1[C@]2(C)C[C@H]3O,C15H26O2,pos_1_1proton1methanol,238.193280072,WKGPQOAMUAIBRO,Terpenoids,Sesquiterpenoids,Patchoulane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 149962,6521,-1,,,,0.0,MS1_match,XSCKUUHHFRRUMW-RBSFLKMASA-N,"InChI=1S/C15H26O2/c1-11(2)6-5-7-13(4)15(17)9-8-12(3)10-14(15)16/h6,10,13-14,16-17H,5,7-9H2,1-4H3/t13-,14-,15-/m1/s1",CC(C)=CCC[C@@H](C)[C@]1(O)CCC(C)=C[C@H]1O,C15H26O2,pos_1_1proton1methanol,238.193280072,XSCKUUHHFRRUMW,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Valeriana fauriei,228778.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana fauriei'],6,0,6.0 149963,6521,-1,,,,0.0,MS1_match,SJKFIHGLULSUCA-SNPRPXQTSA-N,"InChI=1S/C15H26O2/c1-11(2)12-6-8-15(10-16)7-4-5-13(17)14(15,3)9-12/h11-12,16H,4-10H2,1-3H3/t12-,14+,15+/m1/s1",CC(C)[C@@H]1CC[C@]2(CO)CCCC(=O)[C@]2(C)C1,C15H26O2,pos_1_1proton1methanol,238.193280072,SJKFIHGLULSUCA,Terpenoids,Sesquiterpenoids,Valerane sesquiterpenoids,Valeriana fauriei,228778.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana fauriei'],6,0,6.0 149964,6521,-1,,,,0.0,MS1_match,SJKFIHGLULSUCA-SNPRPXQTSA-N,"InChI=1S/C15H26O2/c1-11(2)12-6-8-15(10-16)7-4-5-13(17)14(15,3)9-12/h11-12,16H,4-10H2,1-3H3/t12-,14+,15+/m1/s1",CC(C)[C@@H]1CC[C@]2(CO)CCCC(=O)[C@]2(C)C1,C15H26O2,pos_1_1proton1methanol,238.193280072,SJKFIHGLULSUCA,Terpenoids,Sesquiterpenoids,Valerane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 149965,6521,-1,,,,0.0,MS1_match,ZGRPWWDOSQIIIF-UHFFFAOYSA-N,"InChI=1S/C15H26O2/c1-10-5-8-13(16)12-7-6-11(14(2,3)17)9-15(10,12)4/h10-12,17H,5-9H2,1-4H3",CC1CCC(=O)C2CCC(C(C)(C)O)CC12C,C15H26O2,pos_1_1proton1methanol,238.193280072,ZGRPWWDOSQIIIF,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 149966,6521,-1,,,,0.0,MS1_match,MPYYVGIJHREDBO-SLEUVZQESA-N,"InChI=1S/C15H26O2/c1-10(2)8-13(16)17-12-9-11-6-7-15(12,5)14(11,3)4/h10-12H,6-9H2,1-5H3/t11-,12-,15+/m0/s1",CC(C)CC(=O)O[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C,C15H26O2,pos_1_1proton1methanol,238.193280072,MPYYVGIJHREDBO,Terpenoids,Monoterpenoids,Camphane monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 149967,6521,-1,,,,0.0,MS1_match,FXNFQZVVVKRJEG-IWTMDLJTSA-N,"InChI=1S/C15H26O2/c1-10-4-5-13-12(10)8-11-6-7-14(13,2)17-15(11,3)9-16/h10-13,16H,4-9H2,1-3H3/t10-,11+,12-,13-,14-,15-/m0/s1",C[C@H]1CC[C@H]2[C@H]1C[C@H]1CC[C@]2(C)O[C@@]1(C)CO,C15H26O2,pos_1_1proton1methanol,238.193280072,FXNFQZVVVKRJEG,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 149968,6521,-1,,,,0.0,MS1_match,BIIOUOJJWZXURZ-ARILJUKYSA-N,"InChI=1S/C15H26O2/c1-10(2)11-5-6-14(3)8-12(16)9-15(4,17)13(14)7-11/h11-13,16-17H,1,5-9H2,2-4H3/t11-,12-,13-,14+,15-/m1/s1",C=C(C)[C@@H]1CC[C@@]2(C)C[C@@H](O)C[C@@](C)(O)[C@@H]2C1,C15H26O2,pos_1_1proton1methanol,238.193280072,BIIOUOJJWZXURZ,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Nardostachys jatamansi,24101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Nardostachys'],['Nardostachys jatamansi'],6,0,6.0 149969,6521,-1,,,,0.0,MS1_match,XSCKUUHHFRRUMW-RBSFLKMASA-N,"InChI=1S/C15H26O2/c1-11(2)6-5-7-13(4)15(17)9-8-12(3)10-14(15)16/h6,10,13-14,16-17H,5,7-9H2,1-4H3/t13-,14-,15-/m1/s1",CC(C)=CCC[C@@H](C)[C@]1(O)CCC(C)=C[C@H]1O,C15H26O2,pos_1_1proton1methanol,238.193280072,XSCKUUHHFRRUMW,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 149970,6521,-1,,,,0.0,MS1_match,WKGPQOAMUAIBRO-FCNPYSRZSA-N,"InChI=1S/C15H26O2/c1-9-5-6-15(17)13(2,3)11-7-10(9)14(15,4)8-12(11)16/h9-12,16-17H,5-8H2,1-4H3/t9-,10-,11-,12+,14-,15+/m0/s1",C[C@H]1CC[C@@]2(O)C(C)(C)[C@H]3C[C@@H]1[C@]2(C)C[C@H]3O,C15H26O2,pos_1_1proton1methanol,238.193280072,WKGPQOAMUAIBRO,Terpenoids,Sesquiterpenoids,Patchoulane sesquiterpenoids,Valeriana fauriei,228778.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana fauriei'],6,0,6.0 149945,6518,166,Amino acids and Peptides,Small peptides,Dipeptides,0.0,MS1_match,JLXTZXSQSXGVTK-UHFFFAOYSA-N,"InChI=1S/C11H14N2O4/c1-7-4-5-8(12-10(14)16-2)9(6-7)13-11(15)17-3/h4-6H,1-3H3,(H,12,14)(H,13,15)",COC(=O)Nc1ccc(C)cc1NC(=O)OC,C11H14N2O4,pos_1_1proton1acetonitrile,238.095356928,JLXTZXSQSXGVTK,Amino acids and Peptides,Small peptides,Aminoacids,Delphinium cuneatum,753190.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium cuneatum'],6,2,7.0 149940,6513,-1,,,,0.0,MS1_match,HXMXOBXOPPGJHP-XFUTXVRSSA-N,"InChI=1S/C19H28O8/c1-5-23-8-13-9-24-17(27-15(21)6-11(2)3)16-18(13,22)7-14(26-12(4)20)19(16)10-25-19/h9,11,14,16-17,22H,5-8,10H2,1-4H3/t14-,16-,17-,18-,19+/m0/s1",CCOCC1=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]3(CO3)[C@@H](OC(C)=O)C[C@]12O,C19H28O8,pos_1_sodium,384.1784178559999,HXMXOBXOPPGJHP,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,0,6.0 149941,6513,-1,,,,0.0,MS1_match,HXMXOBXOPPGJHP-GPFWEFOESA-N,"InChI=1S/C19H28O8/c1-5-23-8-13-9-24-17(27-15(21)6-11(2)3)16-18(13,22)7-14(26-12(4)20)19(16)10-25-19/h9,11,14,16-17,22H,5-8,10H2,1-4H3/t14-,16-,17-,18+,19+/m0/s1",CCOCC1=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]3(CO3)[C@@H](OC(C)=O)C[C@@]12O,C19H28O8,pos_1_sodium,384.178417856,HXMXOBXOPPGJHP,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Nardostachys jatamansi,24101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Nardostachys'],['Nardostachys jatamansi'],6,0,6.0 149942,6513,-1,,,,0.0,MS1_match,HXMXOBXOPPGJHP-XFUTXVRSSA-N,"InChI=1S/C19H28O8/c1-5-23-8-13-9-24-17(27-15(21)6-11(2)3)16-18(13,22)7-14(26-12(4)20)19(16)10-25-19/h9,11,14,16-17,22H,5-8,10H2,1-4H3/t14-,16-,17-,18-,19+/m0/s1",CCOCC1=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]3(CO3)[C@@H](OC(C)=O)C[C@]12O,C19H28O8,pos_1_sodium,384.1784178559999,HXMXOBXOPPGJHP,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,0,6.0 149943,6513,-1,,,,0.0,MS1_match,HXMXOBXOPPGJHP-GPFWEFOESA-N,"InChI=1S/C19H28O8/c1-5-23-8-13-9-24-17(27-15(21)6-11(2)3)16-18(13,22)7-14(26-12(4)20)19(16)10-25-19/h9,11,14,16-17,22H,5-8,10H2,1-4H3/t14-,16-,17-,18+,19+/m0/s1",CCOCC1=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]3(CO3)[C@@H](OC(C)=O)C[C@@]12O,C19H28O8,pos_1_sodium,384.178417856,HXMXOBXOPPGJHP,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Nardostachys jatamansi,24101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Nardostachys'],['Nardostachys jatamansi'],6,0,6.0 149944,6513,-1,,,,0.0,MS1_match,PCWLZMIAWSKQEO-HCXYKTFWSA-N,"InChI=1S/C19H28O8/c1-11(2)8-15(22)26-18-16-13(6-7-19(16,10-20)24-5)14(9-25-12(3)21)17(23-4)27-18/h6-7,11,16-18,20H,8-10H2,1-5H3/t16-,17+,18-,19+/m1/s1",CO[C@H]1O[C@@H](OC(=O)CC(C)C)[C@H]2C(=C1COC(C)=O)C=C[C@@]2(CO)OC,C19H28O8,pos_1_sodium,384.178417856,PCWLZMIAWSKQEO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,0,6.0 149939,6512,429,Terpenoids,Steroids,Furostane steroids,0.0,MS1_match,UULJFDBVPOLIGQ-XCTMGHGWSA-N,"InChI=1S/C33H52O10/c1-16-24-22(12-20-19-6-5-17-11-18(35)7-8-31(17,3)25(19)21(36)13-32(20,24)4)42-33(16)10-9-30(2,43-33)15-40-29-28(39)27(38)26(37)23(14-34)41-29/h5,16,18-29,34-39H,6-15H2,1-4H3/t16-,18-,19-,20-,21+,22-,23+,24-,25+,26+,27-,28+,29+,30-,31-,32-,33-/m0/s1",C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4[C@H](O)C[C@]23C)O[C@]12CC[C@@](C)(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O2,C33H52O10,pos_1_1proton1ethylamine,608.356047864,UULJFDBVPOLIGQ,Terpenoids,Steroids,Furostane steroids,Helleborus orientalis,648046.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Helleboreae'],['Helleborus'],['Helleborus orientalis'],6,3,7.5 149885,6509,679,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,0.0,MS1_match,XJSSRXITQUJZLO-IVJAHPGJSA-N,"InChI=1S/C20H32O3/c1-17-8-4-9-18(2,16(21)22)14(17)7-10-20-11-13(5-6-15(17)20)19(3,23)12-20/h13-15,23H,4-12H2,1-3H3,(H,21,22)/t13-,14+,15+,17-,18-,19-,20+/m1/s1",C[C@@]12CCC[C@@](C)(C(=O)O)[C@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@](C)(O)C3,C20H32O3,pos_1_1proton1methanol,320.235144884,XJSSRXITQUJZLO,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Tripterygium wilfordii,300831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium wilfordii'],6,3,7.5 149889,6509,679,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,0.0,MS1_match,LDNAOWMCPDDNLK-YMTVXDNUSA-N,"InChI=1S/C20H32O3/c1-17(2)8-4-9-20(16(21)22)14(17)7-10-19-11-13(5-6-15(19)20)18(3,23)12-19/h13-15,23H,4-12H2,1-3H3,(H,21,22)/t13-,14-,15-,18-,19+,20+/m1/s1",CC1(C)CCC[C@]2(C(=O)O)[C@@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@](C)(O)C3,C20H32O3,pos_1_1proton1methanol,320.235144884,LDNAOWMCPDDNLK,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Tripterygium doianum,293273.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium doianum'],6,3,7.5 149891,6509,679,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,0.0,MS1_match,HHAMKMUMKLXDFQ-GVUXFJDWSA-N,"InChI=1S/C20H32O3/c1-18-7-3-8-19(2,17(22)23)15(18)6-9-20-10-13(4-5-16(18)20)14(11-20)12-21/h13-16,21H,3-12H2,1-2H3,(H,22,23)/t13-,14-,15+,16+,18-,19-,20+/m1/s1",C[C@@]12CCC[C@@](C)(C(=O)O)[C@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@@H](CO)C3,C20H32O3,pos_1_1proton1methanol,320.235144884,HHAMKMUMKLXDFQ,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Tripterygium wilfordii,300831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium wilfordii'],6,3,7.5 149882,6508,-1,,,,0.0,MS1_match,JOBWUMLSLUCCJM-OHJXWDBTSA-N,"InChI=1S/C27H34O16/c1-10-4-12(29)17-13(30)5-14-11(24(17)41-10)2-3-27(37,8-39-14)9-40-26-23(36)21(34)19(32)16(43-26)7-38-25-22(35)20(33)18(31)15(6-28)42-25/h2-5,15-16,18-23,25-26,28,30-37H,6-9H2,1H3/t15-,16-,18-,19-,20+,21+,22-,23-,25-,26-,27+/m1/s1",Cc1cc(=O)c2c(O)cc3c(c2o1)C=C[C@@](O)(CO[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)CO3,C27H34O16,pos_1_1proton,614.184685008,JOBWUMLSLUCCJM,Polyketides,Chromanes,Chromones,Eranthis hyemalis,756503.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Eranthis'],['Eranthis hyemalis'],6,0,6.0 149883,6508,-1,,,,0.0,MS1_match,JOBWUMLSLUCCJM-OHJXWDBTSA-N,"InChI=1S/C27H34O16/c1-10-4-12(29)17-13(30)5-14-11(24(17)41-10)2-3-27(37,8-39-14)9-40-26-23(36)21(34)19(32)16(43-26)7-38-25-22(35)20(33)18(31)15(6-28)42-25/h2-5,15-16,18-23,25-26,28,30-37H,6-9H2,1H3/t15-,16-,18-,19-,20+,21+,22-,23-,25-,26-,27+/m1/s1",Cc1cc(=O)c2c(O)cc3c(c2o1)C=C[C@@](O)(CO[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)CO3,C27H34O16,pos_1_1proton,614.184685008,JOBWUMLSLUCCJM,Polyketides,Chromanes,Chromones,Eranthis cilicica,5922989.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Eranthis'],['Eranthis cilicica'],6,0,6.0 149827,6506,-1,,,,0.608188,ISDB,SDJMNNDDHQWWJH-UXCAXZQLSA-N,"InChI=1S/C18H26O3/c1-16-6-5-14(20)8-12(16)4-7-17-9-13(2-3-15(16)17)18(21,10-17)11-19/h5-6,12-13,15,19,21H,2-4,7-11H2,1H3/t12-,13-,15+,16-,17+,18+/m1/s1",C[C@@]12C=CC(=O)C[C@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@@](O)(CO)C3,C18H26O3,,290.188194692,SDJMNNDDHQWWJH,Terpenoids,Diterpenoids,Norkaurane diterpenoids,Diplospora dubia,729058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Coffeeae'],['Diplospora'],['Diplospora dubia'],4,0,6.432751893997192 149516,6502,-1,,,,0.6446211,ISDB,SRHDEHLQIMAWNV-UHFFFAOYSA-N,"InChI=1S/C15H12O7/c16-7-1-6(2-8(17)3-7)15-14(21)13(20)12-10(19)4-9(18)5-11(12)22-15/h1-5,14-19,21H",O=C1c2c(O)cc(O)cc2OC(c2cc(O)cc(O)c2)C1O,C15H12O7,,304.058302724,SRHDEHLQIMAWNV,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Silybum marianum,650188.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Silybum'],['Silybum marianum'],4,0,6.578484296798706 149514,6499,62,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,HKMDHBXRMZEVHY-UHFFFAOYSA-N,"InChI=1S/C16H26O8/c1-7-8-3-4-16(2,9(8)6-22-14(7)21)24-15-13(20)12(19)11(18)10(5-17)23-15/h7-13,15,17-20H,3-6H2,1-2H3",CC1C(=O)OCC2C1CCC2(C)OC1OC(CO)C(O)C(O)C1O,C16H26O8,pos_1_1proton1ammonium,346.1627677919999,HKMDHBXRMZEVHY,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia scabra,68239.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia scabra'],6,3,7.5 149515,6499,62,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,PLSSBWGEYMENGJ-XLIFQNPRSA-N,"InChI=1S/C16H26O8/c1-7-2-3-9-8(5-22-15(21)11(7)9)6-23-16-14(20)13(19)12(18)10(4-17)24-16/h7-14,16-20H,2-6H2,1H3/t7-,8+,9+,10+,11+,12+,13+,14-,16+/m0/s1",C[C@H]1CC[C@@H]2[C@@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)COC(=O)[C@@H]21,C16H26O8,pos_1_1proton1ammonium,346.162767792,PLSSBWGEYMENGJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia villosa,971855.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia villosa'],6,3,7.5 149470,6492,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,RAYZRCGMIDUTKS-UHFFFAOYSA-N,"InChI=1S/C17H24O10/c1-3-7-8-4-11(23-2)26-15(22)9(8)6-24-16(7)27-17-14(21)13(20)12(19)10(5-18)25-17/h3,6-8,10-14,16-21H,1,4-5H2,2H3",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C2C(=O)OC(OC)CC21,C17H24O10,pos_1_1proton1ammonium,388.136946968,RAYZRCGMIDUTKS,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera macrantha,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,2,8.0 149471,6492,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,CSKKDSFETGLMSB-NRZPKYKESA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11-,12-,13+,14-,16+,17+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC=O,C17H24O10,pos_1_1proton1ammonium,388.1369469679999,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera korolkowii,692192.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera korolkowii'],7,2,8.0 149472,6492,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,CSKKDSFETGLMSB-NRZPKYKESA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11-,12-,13+,14-,16+,17+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC=O,C17H24O10,pos_1_1proton1ammonium,388.1369469679999,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera dioica,920862.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera dioica'],7,2,8.0 149473,6492,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,CSKKDSFETGLMSB-NRZPKYKESA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11-,12-,13+,14-,16+,17+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC=O,C17H24O10,pos_1_1proton1ammonium,388.1369469679999,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera tatarica,980069.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],7,2,8.0 149474,6492,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,CSKKDSFETGLMSB-QOMIBOLPSA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11-,12-,13+,14-,16+,17-/m1/s1",C=C[C@H]1[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC=O,C17H24O10,pos_1_1proton1ammonium,388.136946968,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera periclymenum,811893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera periclymenum'],7,2,8.0 149475,6492,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,CSKKDSFETGLMSB-UHFFFAOYSA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC=O,C17H24O10,pos_1_1proton1ammonium,388.1369469679999,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera morrowii,484242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],7,2,8.0 149476,6492,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,CSKKDSFETGLMSB-FUJZYWHJSA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11-,12-,13+,14-,16-,17+/m1/s1",C=C[C@H]1[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC=O,C17H24O10,pos_1_1proton1ammonium,388.136946968,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,2,8.0 149477,6492,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,CSKKDSFETGLMSB-NRZPKYKESA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11-,12-,13+,14-,16+,17+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC=O,C17H24O10,pos_1_1proton1ammonium,388.1369469679999,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],7,2,8.0 149478,6492,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,CSKKDSFETGLMSB-NRZPKYKESA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11-,12-,13+,14-,16+,17+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC=O,C17H24O10,pos_1_1proton1ammonium,388.1369469679999,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera dioica,920862.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera dioica'],7,2,8.0 149479,6492,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,CSKKDSFETGLMSB-NRZPKYKESA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11-,12-,13+,14-,16+,17+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC=O,C17H24O10,pos_1_1proton1ammonium,388.1369469679999,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera tatarica,980069.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],7,2,8.0 149480,6492,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,CSKKDSFETGLMSB-QOMIBOLPSA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11-,12-,13+,14-,16+,17-/m1/s1",C=C[C@H]1[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC=O,C17H24O10,pos_1_1proton1ammonium,388.136946968,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera periclymenum,811893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera periclymenum'],7,2,8.0 149481,6492,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,CSKKDSFETGLMSB-UHFFFAOYSA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC=O,C17H24O10,pos_1_1proton1ammonium,388.1369469679999,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera morrowii,484242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],7,2,8.0 149482,6492,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,CSKKDSFETGLMSB-FUJZYWHJSA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11-,12-,13+,14-,16-,17+/m1/s1",C=C[C@H]1[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC=O,C17H24O10,pos_1_1proton1ammonium,388.136946968,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,2,8.0 149483,6492,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,CSKKDSFETGLMSB-NRZPKYKESA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11-,12-,13+,14-,16+,17+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC=O,C17H24O10,pos_1_1proton1ammonium,388.1369469679999,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],7,2,8.0 149484,6492,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,CSKKDSFETGLMSB-NRZPKYKESA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11-,12-,13+,14-,16+,17+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC=O,C17H24O10,pos_1_1proton1ammonium,388.1369469679999,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera korolkowii,692192.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera korolkowii'],7,2,8.0 149485,6492,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,LPOVXLVQNSEZGE-PMRPVAAPSA-N,"InChI=1S/C17H24O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,10-14,16-18,20-22H,3-4H2,1-2H3/t6-,7+,10+,11+,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1CC(=O)[C@@H]2C,C17H24O10,pos_1_1proton1ammonium,388.1369469679999,LPOVXLVQNSEZGE,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera morrowii,484242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],7,2,8.0 149486,6492,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,RAYZRCGMIDUTKS-UHFFFAOYSA-N,"InChI=1S/C17H24O10/c1-3-7-8-4-11(23-2)26-15(22)9(8)6-24-16(7)27-17-14(21)13(20)12(19)10(5-18)25-17/h3,6-8,10-14,16-21H,1,4-5H2,2H3",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C2C(=O)OC(OC)CC21,C17H24O10,pos_1_1proton1ammonium,388.136946968,RAYZRCGMIDUTKS,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera fulvotomentosa,650610.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera fulvotomentosa'],7,2,8.0 149487,6492,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,RAYZRCGMIDUTKS-UHFFFAOYSA-N,"InChI=1S/C17H24O10/c1-3-7-8-4-11(23-2)26-15(22)9(8)6-24-16(7)27-17-14(21)13(20)12(19)10(5-18)25-17/h3,6-8,10-14,16-21H,1,4-5H2,2H3",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C2C(=O)OC(OC)CC21,C17H24O10,pos_1_1proton1ammonium,388.136946968,RAYZRCGMIDUTKS,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera hypoglauca,235196.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera hypoglauca'],7,2,8.0 149488,6492,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,RAYZRCGMIDUTKS-UHFFFAOYSA-N,"InChI=1S/C17H24O10/c1-3-7-8-4-11(23-2)26-15(22)9(8)6-24-16(7)27-17-14(21)13(20)12(19)10(5-18)25-17/h3,6-8,10-14,16-21H,1,4-5H2,2H3",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C2C(=O)OC(OC)CC21,C17H24O10,pos_1_1proton1ammonium,388.136946968,RAYZRCGMIDUTKS,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera confusa,594829.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera confusa'],7,2,8.0 149489,6492,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,RAYZRCGMIDUTKS-RJFLBQOQSA-N,"InChI=1S/C17H24O10/c1-3-7-8-4-11(23-2)26-15(22)9(8)6-24-16(7)27-17-14(21)13(20)12(19)10(5-18)25-17/h3,6-8,10-14,16-21H,1,4-5H2,2H3/t7-,8+,10-,11+,12-,13+,14-,16+,17+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)O[C@H](OC)C[C@H]21,C17H24O10,pos_1_1proton1ammonium,388.1369469679999,RAYZRCGMIDUTKS,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,2,8.0 149490,6492,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,RAYZRCGMIDUTKS-UHFFFAOYSA-N,"InChI=1S/C17H24O10/c1-3-7-8-4-11(23-2)26-15(22)9(8)6-24-16(7)27-17-14(21)13(20)12(19)10(5-18)25-17/h3,6-8,10-14,16-21H,1,4-5H2,2H3",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C2C(=O)OC(OC)CC21,C17H24O10,pos_1_1proton1ammonium,388.136946968,RAYZRCGMIDUTKS,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera macrantha,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,2,8.0 149491,6492,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,RAYZRCGMIDUTKS-UHFFFAOYSA-N,"InChI=1S/C17H24O10/c1-3-7-8-4-11(23-2)26-15(22)9(8)6-24-16(7)27-17-14(21)13(20)12(19)10(5-18)25-17/h3,6-8,10-14,16-21H,1,4-5H2,2H3",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C2C(=O)OC(OC)CC21,C17H24O10,pos_1_1proton1ammonium,388.136946968,RAYZRCGMIDUTKS,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera fulvotomentosa,650610.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera fulvotomentosa'],7,2,8.0 149492,6492,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,LPOVXLVQNSEZGE-UHFFFAOYSA-N,"InChI=1S/C17H24O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,10-14,16-18,20-22H,3-4H2,1-2H3",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(C)C(=O)CC12,C17H24O10,pos_1_1proton1ammonium,388.1369469679999,LPOVXLVQNSEZGE,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],7,2,8.0 149493,6492,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,RAYZRCGMIDUTKS-UHFFFAOYSA-N,"InChI=1S/C17H24O10/c1-3-7-8-4-11(23-2)26-15(22)9(8)6-24-16(7)27-17-14(21)13(20)12(19)10(5-18)25-17/h3,6-8,10-14,16-21H,1,4-5H2,2H3",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C2C(=O)OC(OC)CC21,C17H24O10,pos_1_1proton1ammonium,388.136946968,RAYZRCGMIDUTKS,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera hypoglauca,235196.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera hypoglauca'],7,2,8.0 149494,6492,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,LPOVXLVQNSEZGE-UHFFFAOYSA-N,"InChI=1S/C17H24O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,10-14,16-18,20-22H,3-4H2,1-2H3",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(C)C(=O)CC12,C17H24O10,pos_1_1proton1ammonium,388.1369469679999,LPOVXLVQNSEZGE,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],7,2,8.0 149495,6492,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,RAYZRCGMIDUTKS-UHFFFAOYSA-N,"InChI=1S/C17H24O10/c1-3-7-8-4-11(23-2)26-15(22)9(8)6-24-16(7)27-17-14(21)13(20)12(19)10(5-18)25-17/h3,6-8,10-14,16-21H,1,4-5H2,2H3",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C2C(=O)OC(OC)CC21,C17H24O10,pos_1_1proton1ammonium,388.136946968,RAYZRCGMIDUTKS,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera confusa,594829.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera confusa'],7,2,8.0 149496,6492,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,RAYZRCGMIDUTKS-RJFLBQOQSA-N,"InChI=1S/C17H24O10/c1-3-7-8-4-11(23-2)26-15(22)9(8)6-24-16(7)27-17-14(21)13(20)12(19)10(5-18)25-17/h3,6-8,10-14,16-21H,1,4-5H2,2H3/t7-,8+,10-,11+,12-,13+,14-,16+,17+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)O[C@H](OC)C[C@H]21,C17H24O10,pos_1_1proton1ammonium,388.1369469679999,RAYZRCGMIDUTKS,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,2,8.0 149497,6492,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,LPOVXLVQNSEZGE-PMRPVAAPSA-N,"InChI=1S/C17H24O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,10-14,16-18,20-22H,3-4H2,1-2H3/t6-,7+,10+,11+,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1CC(=O)[C@@H]2C,C17H24O10,pos_1_1proton1ammonium,388.1369469679999,LPOVXLVQNSEZGE,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera morrowii,484242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],7,2,8.0 149469,6486,303,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,0.0,MS1_match,JJUCBHSRJQINGH-YGUDKLPYSA-N,"InChI=1S/C14H24O4/c1-12(2)8-6-10(16)13(3)11(17)9(15)4-5-14(13,7-8)18-12/h8-11,15-17H,4-7H2,1-3H3/t8-,9+,10+,11+,13-,14-/m1/s1",CC1(C)O[C@@]23CC[C@H](O)[C@H](O)[C@@]2(C)[C@@H](O)C[C@@H]1C3,C14H24O4,pos_2MHCH3CN,256.167459248,JJUCBHSRJQINGH,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Celastrus hypoleucus,1019456.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Celastrus'],['Celastrus hypoleucus'],6,3,7.5 149466,6484,-1,,,,0.0,MS1_match,IBQVOWQTGYYRJP-GEHXJZNZSA-N,"InChI=1S/C26H32O13/c1-34-16-7-12(3-5-14(16)28)22-25(32)10-37-23(26(25,33)11-36-22)13-4-6-15(17(8-13)35-2)38-24-21(31)20(30)19(29)18(9-27)39-24/h3-8,18-24,27-33H,9-11H2,1-2H3/t18-,19-,20+,21-,22-,23-,24-,25+,26+/m1/s1",COc1cc([C@H]2OC[C@]3(O)[C@@H](c4ccc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)c(OC)c4)OC[C@]23O)ccc1O,C26H32O13,pos_1_sodium,552.1842910839998,IBQVOWQTGYYRJP,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Valeriana prionophylla,526653.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana prionophylla'],6,0,6.0 149467,6484,-1,,,,0.0,MS1_match,IBQVOWQTGYYRJP-GEHXJZNZSA-N,"InChI=1S/C26H32O13/c1-34-16-7-12(3-5-14(16)28)22-25(32)10-37-23(26(25,33)11-36-22)13-4-6-15(17(8-13)35-2)38-24-21(31)20(30)19(29)18(9-27)39-24/h3-8,18-24,27-33H,9-11H2,1-2H3/t18-,19-,20+,21-,22-,23-,24-,25+,26+/m1/s1",COc1cc([C@H]2OC[C@]3(O)[C@@H](c4ccc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)c(OC)c4)OC[C@]23O)ccc1O,C26H32O13,pos_1_sodium,552.1842910839998,IBQVOWQTGYYRJP,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 149468,6484,-1,,,,0.0,MS1_match,IOWABBNTXSKEAH-RHYMDBNLSA-N,"InChI=1S/C26H32O13/c27-10-16-18(28)20(30)22(32)25(38-16)36-12-17-19(29)21(31)23(33)26(39-17)37-15-9-5-4-8-14(15)24(34)35-11-13-6-2-1-3-7-13/h1-9,16-23,25-33H,10-12H2/t16-,17-,18-,19-,20+,21+,22-,23-,25-,26-/m1/s1",O=C(OCc1ccccc1)c1ccccc1O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C26H32O13,pos_1_sodium,552.1842910839997,IOWABBNTXSKEAH,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Salacia chinensis,380833.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Salacia'],['Salacia chinensis'],6,0,6.0 149451,6480,-1,,,,0.0,MS1_match,TYWXNGXVSZRXNA-NVZSGMJQSA-N,"InChI=1S/C11H16O8/c12-3-6-8(14)9(15)10(16)11(19-6)17-4-5-1-2-7(13)18-5/h1-2,5-6,8-12,14-16H,3-4H2/t5-,6+,8+,9-,10+,11+/m0/s1",O=C1C=C[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O1,C11H16O8,pos_1_1potassium,276.084517472,TYWXNGXVSZRXNA,,,,Clematis ligusticifolia,964063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis ligusticifolia'],8,0,8.0 149449,6478,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.7859378,ISDB,YAUMQRQSSYMXKC-HVEZYOFPSA-N,"InChI=1S/C34H42O21/c1-10-20(39)23(42)26(45)32(50-10)49-9-18-30(54-33-27(46)24(43)21(40)17(8-35)52-33)25(44)28(47)34(53-18)55-31-22(41)19-14(38)6-12(36)7-16(19)51-29(31)11-3-4-13(37)15(5-11)48-2/h3-7,10,17-18,20-21,23-28,30,32-40,42-47H,8-9H2,1-2H3/t10-,17+,18+,20-,21+,23+,24-,25+,26+,27+,28+,30+,32+,33-,34-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)ccc1O,C34H42O21,,786.221858364,YAUMQRQSSYMXKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Opuntia ficus-indica,396274.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Cactaceae'],['Unknown'],['Opuntia'],['Opuntia ficus-indica'],4,3,8.64375114440918 149446,6477,-1,,,,0.0,MS1_match,UKSPRKDZNYSFRL-PXOCLKCNSA-N,"InChI=1S/C20H20O11/c21-8-4-11(24)14-13(5-8)30-18(7-1-2-9(22)10(23)3-7)19(16(14)27)31-20-17(28)15(26)12(25)6-29-20/h1-5,12,15,17-26,28H,6H2/t12-,15+,17-,18?,19?,20+/m1/s1",O=C1c2c(O)cc(O)cc2OC(c2ccc(O)c(O)c2)C1O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C20H20O11,pos_2MH,436.10056146,UKSPRKDZNYSFRL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Parnassia grandifolia,24239.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Parnassia'],['Parnassia grandifolia'],6,0,6.0 149447,6477,-1,,,,0.0,MS1_match,UKSPRKDZNYSFRL-PXOCLKCNSA-N,"InChI=1S/C20H20O11/c21-8-4-11(24)14-13(5-8)30-18(7-1-2-9(22)10(23)3-7)19(16(14)27)31-20-17(28)15(26)12(25)6-29-20/h1-5,12,15,17-26,28H,6H2/t12-,15+,17-,18?,19?,20+/m1/s1",O=C1c2c(O)cc(O)cc2OC(c2ccc(O)c(O)c2)C1O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C20H20O11,pos_2MH,436.10056146,UKSPRKDZNYSFRL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Parnassia grandifolia,24239.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Parnassia'],['Parnassia grandifolia'],6,0,6.0 149438,6475,219,Fatty acids,Fatty acyls,Fatty aldehydes,0.0,MS1_match,LTUMRKDLVGQMJU-IUBLYSDUSA-N,"InChI=1S/C18H30O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h9,11,13H,6-8,10,12,14H2,1-5H3/b16-11+,17-13+",CC(=O)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C,C18H30O,pos_1_1proton1acetonitrile,262.22966558,LTUMRKDLVGQMJU,Fatty acids,Fatty acyls,Fatty aldehydes,Morina persica,326553.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Morina'],['Morina persica'],6,3,7.5 149418,6474,-1,,,,0.0,MS1_match,QMDCLEYBHPVIBC-FQEVSTJZSA-N,"InChI=1S/C20H26O3/c1-11(2)14-10-17(22)18-13(19(14)23-5)6-7-15-12(3)16(21)8-9-20(15,18)4/h10-11,22H,6-9H2,1-5H3/t20-/m0/s1",COc1c(C(C)C)cc(O)c2c1CCC1=C(C)C(=O)CC[C@@]12C,C20H26O3,pos_1_sodium,314.188194692,QMDCLEYBHPVIBC,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Tripterygium wilfordii,300831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium wilfordii'],6,0,6.0 149419,6474,-1,,,,0.0,MS1_match,DYYRDAOHGZJZRW-HNNXBMFYSA-N,"InChI=1S/C20H26O3/c1-11(2)14-10-13-7-6-12(3)16-15(21)8-9-20(4,5)23-19(17(13)16)18(14)22/h6-7,10-11,15,21-22H,8-9H2,1-5H3/t15-/m0/s1",Cc1ccc2cc(C(C)C)c(O)c3c2c1[C@@H](O)CCC(C)(C)O3,C20H26O3,pos_1_sodium,314.188194692,DYYRDAOHGZJZRW,Terpenoids,Diterpenoids,Secoabietane diterpenoids,Nardostachys jatamansi,24101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Nardostachys'],['Nardostachys jatamansi'],6,0,6.0 149420,6474,-1,,,,0.0,MS1_match,JMZHTRDGDKQYEC-DBVUQKKJSA-N,"InChI=1S/C20H26O3/c1-12(2)14-10-15(22)17-13(18(14)23)6-7-16-19(3,11-21)8-5-9-20(16,17)4/h10-12,16H,5-9H2,1-4H3/t16-,19+,20-/m0/s1",CC(C)C1=CC(=O)C2=C(CC[C@H]3[C@@](C)(C=O)CCC[C@]23C)C1=O,C20H26O3,pos_1_sodium,314.188194692,JMZHTRDGDKQYEC,Terpenoids,Diterpenoids,Abietane diterpenoids,Tripterygium wilfordii,300831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium wilfordii'],6,0,6.0 149421,6474,-1,,,,0.0,MS1_match,ZSGWCLHXXPJIDF-JXFKEZNVSA-N,"InChI=1S/C20H26O3/c1-11(2)15-9-17(22)18-14(19(15)23)5-6-16-12(3)13(10-21)7-8-20(16,18)4/h9,11,16,21H,5-8,10H2,1-4H3/t16-,20-/m0/s1",CC1=C(CO)CC[C@]2(C)C3=C(CC[C@@H]12)C(=O)C(C(C)C)=CC3=O,C20H26O3,pos_1_sodium,314.188194692,ZSGWCLHXXPJIDF,Terpenoids,Diterpenoids,Abietane diterpenoids,Tripterygium hypoglaucum,906992.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium hypoglaucum'],6,0,6.0 149422,6474,-1,,,,0.0,MS1_match,ZSGWCLHXXPJIDF-JXFKEZNVSA-N,"InChI=1S/C20H26O3/c1-11(2)15-9-17(22)18-14(19(15)23)5-6-16-12(3)13(10-21)7-8-20(16,18)4/h9,11,16,21H,5-8,10H2,1-4H3/t16-,20-/m0/s1",CC1=C(CO)CC[C@]2(C)C3=C(CC[C@@H]12)C(=O)C(C(C)C)=CC3=O,C20H26O3,pos_1_sodium,314.188194692,ZSGWCLHXXPJIDF,Terpenoids,Diterpenoids,Abietane diterpenoids,Tripterygium wilfordii,300831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium wilfordii'],6,0,6.0 149423,6474,-1,,,,0.0,MS1_match,LIJXXJLANJDJHH-RISOHXOYSA-N,"InChI=1S/C20H26O3/c1-11(2)15-9-17(22)18-14(19(15)23)5-6-16-12(3)13(10-21)7-8-20(16,18)4/h9,11,13,16,21H,3,5-8,10H2,1-2,4H3/t13-,16-,20-/m0/s1",C=C1[C@H](CO)CC[C@]2(C)C3=C(CC[C@@H]12)C(=O)C(C(C)C)=CC3=O,C20H26O3,pos_1_sodium,314.188194692,LIJXXJLANJDJHH,Terpenoids,Diterpenoids,Abietane diterpenoids,Tripterygium hypoglaucum,906992.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium hypoglaucum'],6,0,6.0 149424,6474,-1,,,,0.0,MS1_match,LIJXXJLANJDJHH-RISOHXOYSA-N,"InChI=1S/C20H26O3/c1-11(2)15-9-17(22)18-14(19(15)23)5-6-16-12(3)13(10-21)7-8-20(16,18)4/h9,11,13,16,21H,3,5-8,10H2,1-2,4H3/t13-,16-,20-/m0/s1",C=C1[C@H](CO)CC[C@]2(C)C3=C(CC[C@@H]12)C(=O)C(C(C)C)=CC3=O,C20H26O3,pos_1_sodium,314.188194692,LIJXXJLANJDJHH,Terpenoids,Diterpenoids,Abietane diterpenoids,Tripterygium wilfordii,300831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium wilfordii'],6,0,6.0 149425,6474,-1,,,,0.0,MS1_match,HNCVSYIVZNESJY-YSSFQJQWSA-N,"InChI=1S/C20H26O3/c1-11(2)14-10-16(21)17-13(18(14)22)6-7-15-12(3)20(5,23)9-8-19(15,17)4/h10-11,15,23H,3,6-9H2,1-2,4-5H3/t15-,19-,20-/m0/s1",C=C1[C@@H]2CCC3=C(C(=O)C=C(C(C)C)C3=O)[C@@]2(C)CC[C@]1(C)O,C20H26O3,pos_1_sodium,314.188194692,HNCVSYIVZNESJY,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Tripterygium hypoglaucum,906992.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium hypoglaucum'],6,0,6.0 149426,6474,-1,,,,0.0,MS1_match,HNCVSYIVZNESJY-YSSFQJQWSA-N,"InChI=1S/C20H26O3/c1-11(2)14-10-16(21)17-13(18(14)22)6-7-15-12(3)20(5,23)9-8-19(15,17)4/h10-11,15,23H,3,6-9H2,1-2,4-5H3/t15-,19-,20-/m0/s1",C=C1[C@@H]2CCC3=C(C(=O)C=C(C(C)C)C3=O)[C@@]2(C)CC[C@]1(C)O,C20H26O3,pos_1_sodium,314.188194692,HNCVSYIVZNESJY,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Tripterygium wilfordii,300831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium wilfordii'],6,0,6.0 149427,6474,-1,,,,0.0,MS1_match,VPAOFTLPVCAESA-MDHJQYLISA-N,"InChI=1S/C20H26O3/c1-11-13-10-12-6-7-14-19(2,3)8-5-9-20(14,4)15(12)16(21)17(13)23-18(11)22/h10-11,14,21H,5-9H2,1-4H3/t11?,14-,20-/m0/s1",CC1C(=O)Oc2c1cc1c(c2O)[C@@]2(C)CCCC(C)(C)[C@@H]2CC1,C20H26O3,pos_1_sodium,314.188194692,VPAOFTLPVCAESA,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Crossopetalum gaumeri,1091453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Crossopetalum'],['Crossopetalum gaumeri'],6,0,6.0 149428,6474,-1,,,,0.0,MS1_match,AILBGNUDAQUSML-MISYRCLQSA-N,"InChI=1S/C20H26O3/c1-12(2)13-5-6-15-14(9-13)16(22)10-17-19(15,3)8-7-18(23)20(17,4)11-21/h5-6,9,12,17,21H,7-8,10-11H2,1-4H3/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1[C@@](C)(CO)C(=O)CC[C@]21C,C20H26O3,pos_1_sodium,314.188194692,AILBGNUDAQUSML,Terpenoids,Diterpenoids,Abietane diterpenoids,Tripterygium wilfordii,300831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium wilfordii'],6,0,6.0 149429,6474,-1,,,,0.0,MS1_match,FBHMVUCYIROVOC-UHFFFAOYSA-N,"InChI=1S/C20H26O3/c1-11(2)13-5-8-17-15(18(13)21)6-7-16-12(3)14(19(22)23)9-10-20(16,17)4/h5,8,11,16,21H,6-7,9-10H2,1-4H3,(H,22,23)",CC1=C(C(=O)O)CCC2(C)c3ccc(C(C)C)c(O)c3CCC12,C20H26O3,pos_1_sodium,314.188194692,FBHMVUCYIROVOC,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Tripterygium doianum,293273.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium doianum'],6,0,6.0 149430,6474,-1,,,,0.0,MS1_match,FBHMVUCYIROVOC-JXFKEZNVSA-N,"InChI=1S/C20H26O3/c1-11(2)13-5-8-17-15(18(13)21)6-7-16-12(3)14(19(22)23)9-10-20(16,17)4/h5,8,11,16,21H,6-7,9-10H2,1-4H3,(H,22,23)/t16-,20-/m0/s1",CC1=C(C(=O)O)CC[C@]2(C)c3ccc(C(C)C)c(O)c3CC[C@@H]12,C20H26O3,pos_1_sodium,314.188194692,FBHMVUCYIROVOC,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Tripterygium wilfordii,300831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium wilfordii'],6,0,6.0 149431,6474,-1,,,,0.0,MS1_match,JRDCNBZYYIEMRB-YWZLYKJASA-N,"InChI=1S/C20H26O3/c1-11(2)13-10-14(21)17-12(18(13)23)6-7-15-19(3,4)16(22)8-9-20(15,17)5/h10-11,15H,6-9H2,1-5H3/t15-,20-/m0/s1",CC(C)C1=CC(=O)C2=C(CC[C@H]3C(C)(C)C(=O)CC[C@]23C)C1=O,C20H26O3,pos_1_sodium,314.188194692,JRDCNBZYYIEMRB,Terpenoids,Diterpenoids,Abietane diterpenoids,Tripterygium doianum,293273.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium doianum'],6,0,6.0 149432,6474,-1,,,,0.0,MS1_match,JRDCNBZYYIEMRB-YWZLYKJASA-N,"InChI=1S/C20H26O3/c1-11(2)13-10-14(21)17-12(18(13)23)6-7-15-19(3,4)16(22)8-9-20(15,17)5/h10-11,15H,6-9H2,1-5H3/t15-,20-/m0/s1",CC(C)C1=CC(=O)C2=C(CC[C@H]3C(C)(C)C(=O)CC[C@]23C)C1=O,C20H26O3,pos_1_sodium,314.188194692,JRDCNBZYYIEMRB,Terpenoids,Diterpenoids,Abietane diterpenoids,Tripterygium hypoglaucum,906992.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium hypoglaucum'],6,0,6.0 149433,6474,-1,,,,0.0,MS1_match,JRDCNBZYYIEMRB-YWZLYKJASA-N,"InChI=1S/C20H26O3/c1-11(2)13-10-14(21)17-12(18(13)23)6-7-15-19(3,4)16(22)8-9-20(15,17)5/h10-11,15H,6-9H2,1-5H3/t15-,20-/m0/s1",CC(C)C1=CC(=O)C2=C(CC[C@H]3C(C)(C)C(=O)CC[C@]23C)C1=O,C20H26O3,pos_1_sodium,314.188194692,JRDCNBZYYIEMRB,Terpenoids,Diterpenoids,Abietane diterpenoids,Tripterygium wilfordii,300831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium wilfordii'],6,0,6.0 149434,6474,-1,,,,0.0,MS1_match,BYADCGKNIQXKLP-UHFFFAOYSA-N,"InChI=1S/C20H26O3/c1-12-15(18(21)22)9-10-20(4)16(12)7-5-13-11-14(19(2,3)23)6-8-17(13)20/h6,8,11,16,23H,5,7,9-10H2,1-4H3,(H,21,22)",CC1=C(C(=O)O)CCC2(C)c3ccc(C(C)(C)O)cc3CCC12,C20H26O3,pos_1_sodium,314.188194692,BYADCGKNIQXKLP,Terpenoids,Diterpenoids,Abietane diterpenoids,Tripterygium wilfordii,300831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium wilfordii'],6,0,6.0 149435,6474,-1,,,,0.0,MS1_match,DYYRDAOHGZJZRW-HNNXBMFYSA-N,"InChI=1S/C20H26O3/c1-11(2)14-10-13-7-6-12(3)16-15(21)8-9-20(4,5)23-19(17(13)16)18(14)22/h6-7,10-11,15,21-22H,8-9H2,1-5H3/t15-/m0/s1",Cc1ccc2cc(C(C)C)c(O)c3c2c1[C@@H](O)CCC(C)(C)O3,C20H26O3,pos_1_sodium,314.188194692,DYYRDAOHGZJZRW,Terpenoids,Diterpenoids,Secoabietane diterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,0,6.0 149414,6471,-1,,,,0.2623835,ISDB,TVXHJNAIUTYXAK-WWXAJPEWSA-N,"InChI=1S/C19H30O4/c1-12(11-17(22)23)5-6-13-14(20)7-8-15-18(2,3)16(21)9-10-19(13,15)4/h11,13,15-16,21H,5-10H2,1-4H3,(H,22,23)/b12-11-/t13-,15-,16-,19+/m1/s1",C/C(=C/C(=O)O)CC[C@@H]1C(=O)CC[C@@H]2C(C)(C)[C@H](O)CC[C@@]12C,C19H30O4,,322.21440944,TVXHJNAIUTYXAK,Terpenoids,Diterpenoids,Norlabdane diterpenoids,Ayapana amygdalina,156326.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Ayapana'],['Ayapana amygdalina'],4,0,5.04953396320343 149405,6469,211,Terpenoids,Phenylpropanoids (C6-C3),Aristolane sesquiterpenoids,0.0,MS1_match,NGUGLLPTHUYIGI-CKRUZVNXSA-N,"InChI=1S/C15H20O3/c1-7-5-6-8-15(18-8)12(17)10(16)9-11(13(9,2)3)14(7,15)4/h7-9,11H,5-6H2,1-4H3/t7-,8+,9-,11+,14-,15-/m1/s1",C[C@@H]1CC[C@@H]2O[C@@]23C(=O)C(=O)[C@@H]2[C@@H](C2(C)C)[C@@]13C,C15H20O3,pos_1_1proton,248.1412445,NGUGLLPTHUYIGI,Terpenoids,Sesquiterpenoids,Aristolane sesquiterpenoids,Nardostachys jatamansi,24101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Nardostachys'],['Nardostachys jatamansi'],6,3,7.5 149403,6468,145,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.22903076,ISDB,,,,,,,UEMGEMFUMMACSA,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.9161230325698853 149401,6462,1080,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,ULRBKGCIGBUVLG-UHFFFAOYSA-N,"InChI=1S/C10H14O3/c1-5-6-3-8(11)10(2)7(6)4-12-9(5)13-10/h6-9,11H,1,3-4H2,2H3",C=C1C2OCC3C1CC(O)C3(C)O2,C10H14O3,pos_2MCH3CNNa,182.094294308,ULRBKGCIGBUVLG,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,3,7.5 149402,6462,1080,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,IBWYIXZIEIPGJL-UHFFFAOYSA-N,"InChI=1S/C10H14O3/c1-7-5-13-10(6-12)8(4-11)2-3-9(7)10/h2,9,11-12H,1,3-6H2",C=C1COC2(CO)C(CO)=CCC12,C10H14O3,pos_2MCH3CNNa,182.094294308,IBWYIXZIEIPGJL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,3,7.5 149335,6460,656,Fatty acids,Octadecanoids,Other Octadecanoids,0.41685772,ISDB,KICRKYKTMPUVKC-OZSKJFCKSA-N,"InChI=1S/C18H28O3/c1-2-3-4-5-6-7-8-11-14-17(19)15-12-9-10-13-16-18(20)21/h2,7-8,17,19H,1,3-6,9-10,12-13,15-16H2,(H,20,21)/b8-7+/t17-/m0/s1",C=CCCCC/C=C/C#C[C@H](O)CCCCCCC(=O)O,C18H28O3,,292.203844756,KICRKYKTMPUVKC,Fatty acids,Octadecanoids,Other Octadecanoids,Iodina rhombifolia,124280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Santalales'],['Santalaceae'],['Unknown'],['Jodina'],['Jodina rhombifolia'],4,3,7.167430877685547 149336,6460,656,Fatty acids,Octadecanoids,Other Octadecanoids,0.41685772,ISDB,KICRKYKTMPUVKC-OZSKJFCKSA-N,"InChI=1S/C18H28O3/c1-2-3-4-5-6-7-8-11-14-17(19)15-12-9-10-13-16-18(20)21/h2,7-8,17,19H,1,3-6,9-10,12-13,15-16H2,(H,20,21)/b8-7+/t17-/m0/s1",C=CCCCC/C=C/C#C[C@H](O)CCCCCCC(=O)O,C18H28O3,,292.203844756,KICRKYKTMPUVKC,Fatty acids,Octadecanoids,Other Octadecanoids,Jodina rhombifolia,124280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Santalales'],['Santalaceae'],['Unknown'],['Jodina'],['Jodina rhombifolia'],4,3,7.167430877685547 149319,6458,-1,,,,0.36489683,ISDB,KSIWZCYBCSQXTA-UHFFFAOYSA-N,"InChI=1S/C29H43NO5/c1-6-20(2)15-22(4)17-23(5)16-21(3)11-9-7-8-10-12-27(33)30-24(19-31)18-29(34)26(32)14-13-25-28(29)35-25/h7-15,20-21,23-25,28,31,34H,6,16-19H2,1-5H3,(H,30,33)",CCC(C)C=C(C)CC(C)CC(C)C=CC=CC=CC(=O)NC(CO)CC1(O)C(=O)C=CC2OC21,C29H43NO5,,485.314123476,KSIWZCYBCSQXTA,Polyketides,Linear polyketides,Open-chain polyketides,Belonidium mollissimum,4044573.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Leotiomycetes'],['Helotiales'],['Lachnaceae'],['Unknown'],['Lachnum'],['Belonidium mollissimum'],1,0,2.459587335586548 149320,6458,-1,,,,0.36489683,ISDB,KSIWZCYBCSQXTA-JPOQAJQISA-N,"InChI=1S/C29H43NO5/c1-6-20(2)15-22(4)17-23(5)16-21(3)11-9-7-8-10-12-27(33)30-24(19-31)18-29(34)26(32)14-13-25-28(29)35-25/h7-15,20-21,23-25,28,31,34H,6,16-19H2,1-5H3,(H,30,33)/b8-7+,11-9+,12-10+,22-15+/t20-,21+,23+,24+,25+,28+,29-/m1/s1",CC[C@@H](C)/C=C(\C)C[C@@H](C)C[C@@H](C)/C=C/C=C/C=C/C(=O)N[C@H](CO)C[C@@]1(O)C(=O)C=C[C@@H]2O[C@@H]21,C29H43NO5,,485.314123476,KSIWZCYBCSQXTA,Polyketides,Linear polyketides,Open-chain polyketides,Lachnum mollissimum,4044573.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Leotiomycetes'],['Helotiales'],['Lachnaceae'],['Unknown'],['Lachnum'],['Belonidium mollissimum'],1,0,2.459587335586548 149321,6458,-1,,,,0.36489683,ISDB,KSIWZCYBCSQXTA-JPOQAJQISA-N,"InChI=1S/C29H43NO5/c1-6-20(2)15-22(4)17-23(5)16-21(3)11-9-7-8-10-12-27(33)30-24(19-31)18-29(34)26(32)14-13-25-28(29)35-25/h7-15,20-21,23-25,28,31,34H,6,16-19H2,1-5H3,(H,30,33)/b8-7+,11-9+,12-10+,22-15+/t20-,21+,23+,24+,25+,28+,29-/m1/s1",CC[C@@H](C)/C=C(\C)C[C@@H](C)C[C@@H](C)/C=C/C=C/C=C/C(=O)N[C@H](CO)C[C@@]1(O)C(=O)C=C[C@@H]2O[C@@H]21,C29H43NO5,,485.314123476,KSIWZCYBCSQXTA,Polyketides,Linear polyketides,Open-chain polyketides,Trichopeziza mollissima,4044573.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Leotiomycetes'],['Helotiales'],['Lachnaceae'],['Unknown'],['Lachnum'],['Belonidium mollissimum'],1,0,2.459587335586548 149322,6458,-1,,,,0.36489683,ISDB,KSIWZCYBCSQXTA-VHZBQWTKSA-N,"InChI=1S/C29H43NO5/c1-6-20(2)15-22(4)17-23(5)16-21(3)11-9-7-8-10-12-27(33)30-24(19-31)18-29(34)26(32)14-13-25-28(29)35-25/h7-15,20-21,23-25,28,31,34H,6,16-19H2,1-5H3,(H,30,33)/b8-7+,11-9+,12-10+,22-15+/t20-,21+,23-,24+,25+,28+,29-/m1/s1",CC[C@@H](C)/C=C(\C)C[C@H](C)C[C@@H](C)/C=C/C=C/C=C/C(=O)N[C@H](CO)C[C@@]1(O)C(=O)C=C[C@@H]2O[C@@H]21,C29H43NO5,,485.314123476,KSIWZCYBCSQXTA,Polyketides,Linear polyketides,Open-chain polyketides,Lachnella sauteri,4045187.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Leotiomycetes'],['Helotiales'],['Lachnaceae'],['Unknown'],['Lachnum'],['Lachnella sauteri'],1,0,2.459587335586548 149316,6452,641,Alkaloids,Tryptophan alkaloids,3-Spirotetramic acids,0.0,MS1_match,CXBGOBGJHGGWIE-ACSXSLCXSA-N,"InChI=1S/C25H32N2O6/c1-6-23-10-7-12-27-13-11-24(19(23)27)17-9-8-16(31-4)14-18(17)26(3)20(24)25(30,22(29)32-5)21(23)33-15(2)28/h7-10,14,19-21,30H,6,11-13H2,1-5H3/t19-,20+,21+,23+,24+,25-/m0/s1",CC[C@]12C=CCN3CC[C@@]4(c5ccc(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32,C25H32N2O6,pos_2_2proton2acetonitrile,456.226036744,CXBGOBGJHGGWIE,Alkaloids,Tryptophan alkaloids,Aspidosperma type,Lonicera morrowii,484242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],7,2,8.0 149311,6449,907,Polyketides,Monoterpenoids,Chromones,0.0,MS1_match,NQYKVDKWBKOHRD-UHFFFAOYSA-N,"InChI=1S/C23H34O8/c1-6-14(4)8-20(26)31-22-21-17(9-18(30-15(5)24)23(21)12-29-23)16(11-28-22)10-27-19(25)7-13(2)3/h11,13-14,17-18,21-22H,6-10,12H2,1-5H3",CCC(C)CC(=O)OC1OC=C(COC(=O)CC(C)C)C2CC(OC(C)=O)C3(CO3)C12,C23H34O8,pos_2_2proton2acetonitrile,438.225368048,NQYKVDKWBKOHRD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,2,7.0 149312,6449,907,Polyketides,Monoterpenoids,Chromones,0.0,MS1_match,NQYKVDKWBKOHRD-UHFFFAOYSA-N,"InChI=1S/C23H34O8/c1-6-14(4)8-20(26)31-22-21-17(9-18(30-15(5)24)23(21)12-29-23)16(11-28-22)10-27-19(25)7-13(2)3/h11,13-14,17-18,21-22H,6-10,12H2,1-5H3",CCC(C)CC(=O)OC1OC=C(COC(=O)CC(C)C)C2CC(OC(C)=O)C3(CO3)C12,C23H34O8,pos_2_2proton2acetonitrile,438.225368048,NQYKVDKWBKOHRD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana prionophylla,526653.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana prionophylla'],6,2,7.0 149313,6449,907,Polyketides,Monoterpenoids,Chromones,0.0,MS1_match,NQYKVDKWBKOHRD-UHFFFAOYSA-N,"InChI=1S/C23H34O8/c1-6-14(4)8-20(26)31-22-21-17(9-18(30-15(5)24)23(21)12-29-23)16(11-28-22)10-27-19(25)7-13(2)3/h11,13-14,17-18,21-22H,6-10,12H2,1-5H3",CCC(C)CC(=O)OC1OC=C(COC(=O)CC(C)C)C2CC(OC(C)=O)C3(CO3)C12,C23H34O8,pos_2_2proton2acetonitrile,438.225368048,NQYKVDKWBKOHRD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana pulchella,5746422.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana pulchella'],6,2,7.0 149314,6449,907,Polyketides,Monoterpenoids,Chromones,0.0,MS1_match,NQYKVDKWBKOHRD-UHFFFAOYSA-N,"InChI=1S/C23H34O8/c1-6-14(4)8-20(26)31-22-21-17(9-18(30-15(5)24)23(21)12-29-23)16(11-28-22)10-27-19(25)7-13(2)3/h11,13-14,17-18,21-22H,6-10,12H2,1-5H3",CCC(C)CC(=O)OC1OC=C(COC(=O)CC(C)C)C2CC(OC(C)=O)C3(CO3)C12,C23H34O8,pos_2_2proton2acetonitrile,438.225368048,NQYKVDKWBKOHRD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,2,7.0 149315,6449,907,Polyketides,Monoterpenoids,Chromones,0.0,MS1_match,NQYKVDKWBKOHRD-UHFFFAOYSA-N,"InChI=1S/C23H34O8/c1-6-14(4)8-20(26)31-22-21-17(9-18(30-15(5)24)23(21)12-29-23)16(11-28-22)10-27-19(25)7-13(2)3/h11,13-14,17-18,21-22H,6-10,12H2,1-5H3",CCC(C)CC(=O)OC1OC=C(COC(=O)CC(C)C)C2CC(OC(C)=O)C3(CO3)C12,C23H34O8,pos_2_2proton2acetonitrile,438.225368048,NQYKVDKWBKOHRD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana capensis,135852.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana capensis'],6,2,7.0 149310,6448,-1,,,,0.21268591,ISDB,VSDQPXFTDJVJID-QQDLLWOVSA-N,"InChI=1S/C21H29NO8/c1-13-11-15(7-10-28-14(2)23)19(25)30-17-6-9-22(4)8-5-16(18(17)24)12-29-20(26)21(13,3)27/h5,7,13,17,27H,6,8-12H2,1-4H3/b15-7+,16-5-/t13-,17+,21+/m0/s1",CC(=O)OC/C=C1\C[C@H](C)[C@@](C)(O)C(=O)OC/C2=C/CN(C)CC[C@@H](OC1=O)C2=O,C21H29NO8,,423.189316888,VSDQPXFTDJVJID,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Packera anonyma,597460.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Packera'],['Packera anonyma'],4,0,4.850743651390076 149305,6435,-1,,,,0.0,MS1_match,RSFLKWAAFPCZOO-FNNJSYLVSA-N,"InChI=1S/C34H52O15/c1-18(2)11-25(37)47-28(20(5)6)30(40)43-15-23-16-44-31(48-26(38)12-19(3)4)29-33(23,41)13-24(46-21(7)35)34(29,42)17-45-27(39)14-32(9,10)49-22(8)36/h16,18-20,24,28-29,31,41-42H,11-15,17H2,1-10H3/t24-,28+,29-,31-,33-,34+/m0/s1",CC(=O)O[C@H]1C[C@]2(O)C(COC(=O)[C@H](OC(=O)CC(C)C)C(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]1(O)COC(=O)CC(C)(C)OC(C)=O,C34H52O15,pos_2_1proton1potassium,700.330620964,RSFLKWAAFPCZOO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,0,6.0 149306,6435,-1,,,,0.0,MS1_match,RSFLKWAAFPCZOO-YXIIQOEFSA-N,"InChI=1S/C34H52O15/c1-18(2)11-25(37)47-28(20(5)6)30(40)43-15-23-16-44-31(48-26(38)12-19(3)4)29-33(23,41)13-24(46-21(7)35)34(29,42)17-45-27(39)14-32(9,10)49-22(8)36/h16,18-20,24,28-29,31,41-42H,11-15,17H2,1-10H3/t24-,28?,29-,31-,33-,34+/m0/s1",CC(=O)O[C@H]1C[C@]2(O)C(COC(=O)C(OC(=O)CC(C)C)C(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]1(O)COC(=O)CC(C)(C)OC(C)=O,C34H52O15,pos_2_1proton1potassium,700.3306209639999,RSFLKWAAFPCZOO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Nardostachys jatamansi,24101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Nardostachys'],['Nardostachys jatamansi'],6,0,6.0 149307,6435,-1,,,,0.0,MS1_match,RSFLKWAAFPCZOO-FNNJSYLVSA-N,"InChI=1S/C34H52O15/c1-18(2)11-25(37)47-28(20(5)6)30(40)43-15-23-16-44-31(48-26(38)12-19(3)4)29-33(23,41)13-24(46-21(7)35)34(29,42)17-45-27(39)14-32(9,10)49-22(8)36/h16,18-20,24,28-29,31,41-42H,11-15,17H2,1-10H3/t24-,28+,29-,31-,33-,34+/m0/s1",CC(=O)O[C@H]1C[C@]2(O)C(COC(=O)[C@H](OC(=O)CC(C)C)C(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]1(O)COC(=O)CC(C)(C)OC(C)=O,C34H52O15,pos_2_1proton1potassium,700.330620964,RSFLKWAAFPCZOO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,0,6.0 149308,6435,-1,,,,0.0,MS1_match,RSFLKWAAFPCZOO-YXIIQOEFSA-N,"InChI=1S/C34H52O15/c1-18(2)11-25(37)47-28(20(5)6)30(40)43-15-23-16-44-31(48-26(38)12-19(3)4)29-33(23,41)13-24(46-21(7)35)34(29,42)17-45-27(39)14-32(9,10)49-22(8)36/h16,18-20,24,28-29,31,41-42H,11-15,17H2,1-10H3/t24-,28?,29-,31-,33-,34+/m0/s1",CC(=O)O[C@H]1C[C@]2(O)C(COC(=O)C(OC(=O)CC(C)C)C(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]1(O)COC(=O)CC(C)(C)OC(C)=O,C34H52O15,pos_2_1proton1potassium,700.3306209639999,RSFLKWAAFPCZOO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Nardostachys jatamansi,24101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Nardostachys'],['Nardostachys jatamansi'],6,0,6.0 149302,6431,562,Amino acids and Peptides,Small peptides,Aminoacids,0.3779706,ISDB,MIEILDYWGANZNH-BYULHYEWSA-N,"InChI=1S/C10H13NO5/c11-7(8(13)14)5-10(9(15)16)3-1-6(12)2-4-10/h1-4,6-7,12H,5,11H2,(H,13,14)(H,15,16)/t6-,7-,10-/m0/s1",N[C@@H](C[C@]1(C(=O)O)C=C[C@H](O)C=C1)C(=O)O,C10H13NO5,,227.079372516,MIEILDYWGANZNH,Amino acids and Peptides,Small peptides,Aminoacids,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],4,3,7.011882424354553 149300,6425,266,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,CRSFLLTWRCYNNX-QBNNUVSCSA-N,"InChI=1S/C16H18O10/c1-23-7-4-6-2-3-9(18)25-14(6)15(11(7)20)26-16-13(22)12(21)10(19)8(5-17)24-16/h2-4,8,10,12-13,16-17,19-22H,5H2,1H3/t8-,10-,12+,13-,16+/m1/s1",COc1cc2ccc(=O)oc2c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1O,C16H18O10,pos_1_1proton1acetonitrile,370.0899967759999,CRSFLLTWRCYNNX,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Weigela subsessilis,82213.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Weigela'],['Weigela subsessilis'],6,0,6.0 149301,6425,266,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,CRSFLLTWRCYNNX-QBNNUVSCSA-N,"InChI=1S/C16H18O10/c1-23-7-4-6-2-3-9(18)25-14(6)15(11(7)20)26-16-13(22)12(21)10(19)8(5-17)24-16/h2-4,8,10,12-13,16-17,19-22H,5H2,1H3/t8-,10-,12+,13-,16+/m1/s1",COc1cc2ccc(=O)oc2c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1O,C16H18O10,pos_1_1proton1acetonitrile,370.0899967759999,CRSFLLTWRCYNNX,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Weigela subsessilis,82213.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Weigela'],['Weigela subsessilis'],6,0,6.0 149134,6423,58,Polyketides,Glycerolipids,Glycosyldiacylglycerols,0.7424901,ISDB,KQBASRSRJMDOBH-GOSISDBHSA-N,"InChI=1S/C21H34O3/c1-3-4-5-6-7-8-9-10-11-12-18-13-17-14-19(23-2)15-21(22)20(17)16-24-18/h14-15,18,22H,3-13,16H2,1-2H3/t18-/m1/s1",CCCCCCCCCCC[C@@H]1Cc2cc(OC)cc(O)c2CO1,C21H34O3,,334.250794948,KQBASRSRJMDOBH,Polyketides,Chromanes,Azaphilones,Ononis natrix,1072855.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Ononis'],['Ononis natrix'],4,1,7.469960451126099 149133,6421,80,Terpenoids,Tryptophan alkaloids,Carbazole alkaloids,0.5683566,ISDB,DOFYAVLOCYRMIV-ULTRRKBWSA-N,"InChI=1S/C36H38N4O6/c1-9-20-16(3)23-13-25-18(5)22(11-12-29(41)45-7)32(39-25)31-33-30(34(42)36(31,44)35(43)46-8)19(6)26(40-33)15-28-21(10-2)17(4)24(38-28)14-27(20)37-23/h9,13-15,18,22,37,40,44H,1,10-12H2,2-8H3/t18-,22-,36-/m0/s1",C=Cc1c(C)c2cc3nc(c4c5[nH]c(cc6nc(cc1[nH]2)C(C)=C6CC)c(C)c5C(=O)[C@]4(O)C(=O)OC)[C@@H](CCC(=O)OC)[C@@H]3C,C36H38N4O6,,622.2791349360001,DOFYAVLOCYRMIV,Alkaloids,Tryptophan alkaloids,Carbazole alkaloids,Clerodendrum calamitosum,6086132.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Clerodendrum'],['Clerodendrum calamitosum'],4,3,7.773426294326782 149132,6419,-1,,,,0.0,MS1_match,AQOVEYNSQFBSQX-STMBSLSDSA-N,"InChI=1S/C16H20O5/c1-4-13(11-17)16(18)21-9-5-6-12-7-8-14(19-2)15(10-12)20-3/h4-8,10,17H,9,11H2,1-3H3/b6-5+,13-4-",C/C=C(/CO)C(=O)OC/C=C/c1ccc(OC)c(OC)c1,C16H20O5,pos_2MNa,292.13107374,AQOVEYNSQFBSQX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Morina chinensis,68249.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Morina'],['Morina chinensis'],6,0,6.0 149122,6418,1377,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,0.0,MS1_match,FMRHJJZUHUTGKE-UHFFFAOYSA-N,"InChI=1S/C15H22O3/c1-3-5-8-12(4-2)11-18-15(17)13-9-6-7-10-14(13)16/h6-7,9-10,12,16H,3-5,8,11H2,1-2H3",CCCCC(CC)COC(=O)c1ccccc1O,C15H22O3,pos_2MHNH3,250.156894564,FMRHJJZUHUTGKE,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 148759,6416,217,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.7081956,ISDB,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Adonis tianschanica,6130933.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Adonideae'],['Adonis'],['Adonis tianschanica'],6,3,10.332782506942749 148760,6416,217,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.7081956,ISDB,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Adonis mongolica,6130927.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Adonideae'],['Adonis'],['Adonis mongolica'],6,3,10.332782506942749 148757,6415,-1,,,,0.0,MS1_match,SGUOENJPMRQEMJ-PLNGHNRSSA-N,"InChI=1S/C19H34O9/c1-10(21)5-6-19(26)17(2,3)7-11(8-18(19,4)25)27-16-15(24)14(23)13(22)12(9-20)28-16/h5-6,10-16,20-26H,7-9H2,1-4H3/t10-,11-,12-,13-,14+,15-,16-,18+,19+/m1/s1",C[C@@H](O)C=C[C@]1(O)C(C)(C)C[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C[C@]1(C)O,C19H34O9,pos_1_1proton1ammonium,406.220282668,SGUOENJPMRQEMJ,Terpenoids,Apocarotenoids,Megastigmanes,Salacia chinensis,380833.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Salacia'],['Salacia chinensis'],6,0,6.0 148758,6415,-1,,,,0.0,MS1_match,FCSXIFYRVMQLAX-HPMNXYLDSA-N,"InChI=1S/C19H34O9/c1-10-6-12(7-18(2,3)19(10,26)5-4-11(22)8-20)27-17-16(25)15(24)14(23)13(9-21)28-17/h4-5,10-17,20-26H,6-9H2,1-3H3/b5-4+/t10-,11+,12+,13-,14+,15+,16-,17-,19-/m1/s1",C[C@@H]1C[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)CC(C)(C)[C@@]1(O)/C=C/[C@H](O)CO,C19H34O9,pos_1_1proton1ammonium,406.220282668,FCSXIFYRVMQLAX,Terpenoids,Apocarotenoids,Megastigmanes,Monteverdia ilicifolia,433235.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Monteverdia'],['Monteverdia ilicifolia'],6,0,6.0 148756,6413,119,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.3614219,ISDB,,,,,,,MBBOPONQLZPJRT,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.4456876516342163 148755,6409,-1,,,,0.0,MS1_match,LTRLDPJSMLPKMF-YKXWAFRCSA-N,"InChI=1S/C25H40O10/c1-12-9-14(26)10-25(3,4)15(12)6-5-13(2)34-24-23(32)22(31)21(30)18(35-24)11-33-17-8-7-16(27)19(28)20(17)29/h5-6,9,13,15-24,27-32H,7-8,10-11H2,1-4H3/b6-5+/t13-,15+,16+,17-,18-,19+,20+,21-,22+,23-,24-/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@@H](C)O[C@@H]1O[C@H](CO[C@@H]2CC[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C25H40O10,pos_1_1proton1methanol,500.26214748,LTRLDPJSMLPKMF,Terpenoids,Apocarotenoids,Megastigmanes,Lonicera gracilipes,920854.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera gracilipes'],7,0,7.0 148753,6399,75,Terpenoids,Diterpenoids,Polyprenol derivatives,0.37719944,ISDB,LVVVRYBRIUFULZ-XHARVQFDSA-N,"InChI=1S/C30H58O6/c1-23(13-9-19-27(3,4)33)15-11-21-29(7,35)25(31)17-18-26(32)30(8,36)22-12-16-24(2)14-10-20-28(5,6)34/h15-16,25-26,31-36H,9-14,17-22H2,1-8H3/b23-15+,24-16+/t25-,26-,29+,30+/m0/s1",C/C(=C\CC[C@@](C)(O)[C@@H](O)CC[C@H](O)[C@](C)(O)CC/C=C(\C)CCCC(C)(C)O)CCCC(C)(C)O,C30H58O6,,514.423339576,LVVVRYBRIUFULZ,Terpenoids,Polyprenols,Polyprenol derivatives,Irpex lacteus,60033.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Agaricomycetes'],['Polyporales'],['Meruliaceae'],['Unknown'],['Irpex'],['Irpex lacteus'],1,3,4.008797764778137 148700,6396,-1,,,,0.4662376,ISDB,,,,,,,ALPTZNZONYUUNE,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.86495041847229 148676,6393,-1,,,,0.7903506,ISDB,XICKQNFAJAXFNI-UHFFFAOYSA-N,"InChI=1S/C19H18O7/c1-8-14(22)13-15(23)19(25-4)18(10-5-6-11(20)12(21)7-10)26-17(13)9(2)16(8)24-3/h5-7,20-22H,1-4H3",COc1c(C)c(O)c2c(=O)c(OC)c(-c3ccc(O)c(O)c3)oc2c1C,C19H18O7,,358.105252916,XICKQNFAJAXFNI,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Piliostigma thonningii,276253.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Cercideae'],['Piliostigma'],['Piliostigma thonningii'],4,0,7.161402463912964 148675,6391,-1,,,,0.2018555,ISDB,FKCWQMCLWHDMHQ-YOOCBKBXSA-N,"InChI=1S/C15H24N2O4/c18-10-1-2-16-6-8-3-9(11(16)4-10)7-17-12(8)5-13(19)14(20)15(17)21/h8-14,18-20H,1-7H2/t8-,9-,10-,11-,12+,13+,14-/m0/s1",O=C1[C@@H](O)[C@H](O)C[C@@H]2[C@H]3C[C@@H](CN12)[C@@H]1C[C@@H](O)CCN1C3,C15H24N2O4,,296.173607248,FKCWQMCLWHDMHQ,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Calpurnia aurea,434094.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Podalyrieae'],['Calpurnia'],['Calpurnia aurea'],4,0,4.807421982288361 148671,6386,75,Terpenoids,Diterpenoids,Polyprenol derivatives,0.44477376,ISDB,,,,,,,MTBHPRPACUWIHF,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.7790950536727905 148670,6385,446,Shikimates and Phenylpropanoids,Flavonoids,Cinnamic acids and derivatives,0.0,MS1_match,HRGUSFBJBOKSML-UHFFFAOYSA-N,"InChI=1S/C17H14O7/c1-22-14-3-8(4-15(23-2)17(14)21)12-7-11(20)16-10(19)5-9(18)6-13(16)24-12/h3-7,18-19,21H,1-2H3",COc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc(OC)c1O,C17H14O7,pos_1_1proton,330.073952788,HRGUSFBJBOKSML,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Valeriana laxiflora,844983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana laxiflora'],6,2,7.0 148669,6383,-1,,,,0.0,MS1_match,AZJNCPIRHFRIFV-MWBBRCRPSA-N,"InChI=1S/C28H40O15/c1-5-12(8-29)13-7-18(37-3)42-26(36)20(13)25(35)40-16-6-14-15(24(34)38-4)10-39-27(19(14)11(16)2)43-28-23(33)22(32)21(31)17(9-30)41-28/h5,8,10-11,13-14,16-23,26-28,30-33,36H,6-7,9H2,1-4H3/b12-5-/t11-,13-,14+,16-,17+,18-,19+,20+,21+,22-,23+,26-,27-,28-/m0/s1",C/C=C(/C=O)[C@@H]1C[C@@H](OC)O[C@H](O)[C@H]1C(=O)O[C@H]1C[C@@H]2C(C(=O)OC)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@H]1C,C28H40O15,pos_1_1proton1ammonium,616.23672058,AZJNCPIRHFRIFV,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Dipsacus laciniatus,489131.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Dipsacus'],['Dipsacus laciniatus'],6,0,6.0 148664,6380,-1,,,,0.23221116,ISDB,VVLXCWVSSLFQDS-QWRGUYRKSA-N,"InChI=1S/C14H18N2O6/c15-10(13(19)20)5-6-12(18)16-11(14(21)22)7-8-1-3-9(17)4-2-8/h1-4,10-11,17H,5-7,15H2,(H,16,18)(H,19,20)(H,21,22)/t10-,11-/m0/s1",N[C@@H](CCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(=O)O,C14H18N2O6,,310.11648629599995,VVLXCWVSSLFQDS,Amino acids and Peptides,Small peptides,Dipeptides,Psophocarpus tetragonolobus,116244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Psophocarpus'],['Psophocarpus tetragonolobus'],4,0,4.928844630718231 148659,6378,-1,,,,0.50794584,ISDB,SFAHCAMKUIRNCU-DMEHNAEFSA-N,"InChI=1S/C14H17NO7/c16-5-8-9(17)10(18)11(19)12(22-8)13-14(20)15-6-3-1-2-4-7(6)21-13/h1-4,8-13,16-19H,5H2,(H,15,20)/t8-,9-,10+,11-,12?,13-/m1/s1",O=C1Nc2ccccc2O[C@@H]1C1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H17NO7,,311.100501884,SFAHCAMKUIRNCU,Alkaloids,,,Ruellia tuberosa,390453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Acanthaceae'],['Ruellieae'],['Ruellia'],['Ruellia tuberosa'],4,0,6.03178334236145 148654,6373,-1,,,,0.0,MS1_match,OJOKJVGGOVOIJJ-MRVPVSSYSA-N,"InChI=1S/C11H16O3/c1-7-4-11(13)9(6-10(7)12)5-8(2)14-3/h4,6,8,12-13H,5H2,1-3H3/t8-/m1/s1",CO[C@H](C)Cc1cc(O)c(C)cc1O,C11H16O3,pos_2MK,196.109944372,OJOKJVGGOVOIJJ,Polyketides,Aromatic polyketides,Simple aromatic polyketides,Nigella sativa,142360.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Nigelleae'],['Nigella'],['Nigella sativa'],6,0,6.0 148655,6373,-1,,,,0.0,MS1_match,XEVQXKKKAVVSMW-CPCISQLKSA-N,"InChI=1S/C11H16O3/c1-10(2)5-7(12)6-11(3)8(10)4-9(13)14-11/h4,7,12H,5-6H2,1-3H3/t7-,11-/m0/s1",CC1(C)C[C@H](O)C[C@]2(C)OC(=O)C=C12,C11H16O3,pos_2MK,196.109944372,XEVQXKKKAVVSMW,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Monteverdia apurimacensis,5750133.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Monteverdia'],['Monteverdia apurimacensis'],6,0,6.0 148656,6373,-1,,,,0.0,MS1_match,VMQAMBIFNUSHAN-WRWORJQWSA-N,"InChI=1S/C11H16O3/c1-10(2)5-7-6-11(3,13)8(12)4-9(10)14-7/h4,7,13H,5-6H2,1-3H3/t7-,11+/m0/s1",CC1(C)C[C@H]2C[C@@](C)(O)C(=O)C=C1O2,C11H16O3,pos_2MK,196.109944372,VMQAMBIFNUSHAN,Terpenoids,,,Tripterygium wilfordii,300831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium wilfordii'],6,0,6.0 148657,6373,-1,,,,0.0,MS1_match,VMQAMBIFNUSHAN-WRWORJQWSA-N,"InChI=1S/C11H16O3/c1-10(2)5-7-6-11(3,13)8(12)4-9(10)14-7/h4,7,13H,5-6H2,1-3H3/t7-,11+/m0/s1",CC1(C)C[C@H]2C[C@@](C)(O)C(=O)C=C1O2,C11H16O3,pos_2MK,196.109944372,VMQAMBIFNUSHAN,Terpenoids,,,Tripterygium regelii,483028.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium regelii'],6,0,6.0 148653,6371,-1,,,,0.4290711,ISDB,NGQYMQUJKWAWDD-RRHRKEPWSA-N,"InChI=1S/C14H19NO4/c1-3-4-5-6-7-8-10(17)11-13(18)12(9(2)16)15-14(11)19/h5-9,12,16-17H,3-4H2,1-2H3,(H,15,19)/b6-5+,8-7+,11-10-",CCC/C=C/C=C/C(O)=C1/C(=O)NC(C(C)O)C1=O,C14H19NO4,,265.131408088,NGQYMQUJKWAWDD,Polyketides,Linear polyketides,3-oligoenoyltetramic acids,Aspergillus terreus,104248.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Aspergillus'],['Aspergillus terreus'],1,0,2.716284394264221 148650,6370,30,Alkaloids,Tyrosine alkaloids,Cinnamic acid amides,0.6678599,ISDB,RLWJIETUBNSFMD-VMPITWQZSA-N,"InChI=1S/C20H21NO5/c1-23-16-6-3-14(11-18(16)24-2)5-8-20(22)21-10-9-15-4-7-17-19(12-15)26-13-25-17/h3-8,11-12H,9-10,13H2,1-2H3,(H,21,22)/b8-5+",COc1ccc(/C=C/C(=O)NCCc2ccc3c(c2)OCO3)cc1OC,C20H21NO5,,355.141972772,RLWJIETUBNSFMD,Amino acids and Peptides,Phenylpropanoids (C6-C3),Cinnamic acid amides,Zanthoxylum rubescens,5762616.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum rubescens'],4,3,8.17143964767456 148645,6369,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.41984963,ISDB,JJLBUHCPBLNUIT-WROTWQSTSA-N,"InChI=1S/C32H40O17/c1-14-25(40)26(41)27(42)31(45-14)49-29-28(48-24(39)9-5-16-4-7-18(35)20(37)10-16)22(12-33)47-32(30(29)46-15(2)34)44-13-23(43-3)17-6-8-19(36)21(38)11-17/h4-11,14,22-23,25-33,35-38,40-42H,12-13H2,1-3H3/b9-5+/t14-,22+,23+,25-,26+,27+,28+,29-,30+,31-,32+/m0/s1",CO[C@H](CO[C@@H]1O[C@H](CO)[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H]1OC(C)=O)c1ccc(O)c(O)c1,C32H40O17,,696.22654982,JJLBUHCPBLNUIT,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cistanche phelypaea,675210.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Orobanchaceae'],['Orobancheae'],['Cistanche'],['Cistanche phelypaea'],4,3,7.179398536682129 148646,6369,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.41984963,ISDB,JJLBUHCPBLNUIT-WROTWQSTSA-N,"InChI=1S/C32H40O17/c1-14-25(40)26(41)27(42)31(45-14)49-29-28(48-24(39)9-5-16-4-7-18(35)20(37)10-16)22(12-33)47-32(30(29)46-15(2)34)44-13-23(43-3)17-6-8-19(36)21(38)11-17/h4-11,14,22-23,25-33,35-38,40-42H,12-13H2,1-3H3/b9-5+/t14-,22+,23+,25-,26+,27+,28+,29-,30+,31-,32+/m0/s1",CO[C@H](CO[C@@H]1O[C@H](CO)[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H]1OC(C)=O)c1ccc(O)c(O)c1,C32H40O17,,696.22654982,JJLBUHCPBLNUIT,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cistanche tubulosa,368050.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Orobanchaceae'],['Orobancheae'],['Cistanche'],['Cistanche tubulosa'],4,3,7.179398536682129 148622,6367,1165,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,0.0,MS1_match,ZDVZKBOFCHOPLM-DEYYWGMASA-N,"InChI=1S/C22H28O8/c1-27-15-7-12(8-16(28-2)20(15)25)18-14(10-24)13(9-23)5-11-6-17(29-3)21(26)22(30-4)19(11)18/h6-8,13-14,18,23-26H,5,9-10H2,1-4H3/t13-,14-,18-/m0/s1",COc1cc([C@@H]2c3c(cc(OC)c(O)c3OC)C[C@@H](CO)[C@@H]2CO)cc(OC)c1O,C22H28O8,pos_2_2proton,420.1784178559999,ZDVZKBOFCHOPLM,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Euonymus alatus,601141.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus alatus'],7,3,8.5 148623,6367,1165,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,0.0,MS1_match,ZDVZKBOFCHOPLM-DEYYWGMASA-N,"InChI=1S/C22H28O8/c1-27-15-7-12(8-16(28-2)20(15)25)18-14(10-24)13(9-23)5-11-6-17(29-3)21(26)22(30-4)19(11)18/h6-8,13-14,18,23-26H,5,9-10H2,1-4H3/t13-,14-,18-/m0/s1",COc1cc([C@@H]2c3c(cc(OC)c(O)c3OC)C[C@@H](CO)[C@@H]2CO)cc(OC)c1O,C22H28O8,pos_2_2proton,420.1784178559999,ZDVZKBOFCHOPLM,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Euonymus alatus,601141.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus alatus'],7,3,8.5 148624,6367,1165,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,0.0,MS1_match,ZDVZKBOFCHOPLM-DEYYWGMASA-N,"InChI=1S/C22H28O8/c1-27-15-7-12(8-16(28-2)20(15)25)18-14(10-24)13(9-23)5-11-6-17(29-3)21(26)22(30-4)19(11)18/h6-8,13-14,18,23-26H,5,9-10H2,1-4H3/t13-,14-,18-/m0/s1",COc1cc([C@@H]2c3c(cc(OC)c(O)c3OC)C[C@@H](CO)[C@@H]2CO)cc(OC)c1O,C22H28O8,pos_2_2proton,420.1784178559999,ZDVZKBOFCHOPLM,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Euonymus alatus,601141.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus alatus'],7,3,8.5 148621,6366,341,Terpenoids,Monoterpenoids,Cycloartane triterpenoids,0.0,MS1_match,GJOKUHOJKKOIEW-UHFFFAOYSA-N,"InChI=1S/C12H14O6/c1-7(4-13)12(17)3-11(18-8(2)16)9(5-14)10(12)6-15/h4,6,11,14,17H,1,3,5H2,2H3",C=C(C=O)C1(O)CC(OC(C)=O)C(CO)=C1C=O,C12H14O6,pos_1_1proton2acetonitrile,254.079038168,GJOKUHOJKKOIEW,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,2,7.0 148620,6365,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.0,MS1_match,PIJWCPNNZULZBH-GRYWMYPUSA-N,"InChI=1S/C18H28O12/c1-7(20)12-8(4-11(21)26-2)9(16(25)27-3)6-28-17(12)30-18-15(24)14(23)13(22)10(5-19)29-18/h6-8,10,12-15,17-20,22-24H,4-5H2,1-3H3/t7-,8+,10+,12+,13+,14-,15+,17-,18-/m0/s1",COC(=O)C[C@@H]1C(C(=O)OC)=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1[C@H](C)O,C18H28O12,pos_1_1proton1ammonium,436.158076336,PIJWCPNNZULZBH,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera alpigena,920868.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera alpigena'],8,3,9.5 148619,6364,446,Shikimates and Phenylpropanoids,Flavonoids,Cinnamic acids and derivatives,0.0,MS1_match,DWZAJFZEYZIHPO-UHFFFAOYSA-N,"InChI=1S/C18H16O7/c1-22-10-6-4-9(5-7-10)16-18(24-3)15(21)13-12(25-16)8-11(19)17(23-2)14(13)20/h4-8,19-20H,1-3H3",COc1ccc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2OC)cc1,C18H16O7,pos_1_1proton,344.089602852,DWZAJFZEYZIHPO,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Valeriana laxiflora,844983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana laxiflora'],6,2,7.0 148615,6361,446,Shikimates and Phenylpropanoids,Flavonoids,Cinnamic acids and derivatives,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_2MH,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera microphylla,980075.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera microphylla'],7,3,8.5 148608,6359,545,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,0.29385275,ISDB,XFXPKEVQMIUIEY-UHFFFAOYSA-N,"InChI=1S/C12H13NO3/c1-13-11(14)7-10(16-3)8-5-4-6-9(15-2)12(8)13/h4-7H,1-3H3",COc1cc(=O)n(C)c2c(OC)cccc12,C12H13NO3,,219.089543276,XFXPKEVQMIUIEY,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,Haplophyllum obtusifolium,762592.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Haplophyllum'],['Haplophyllum obtusifolium'],4,3,6.675410985946655 148609,6359,545,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,0.29385275,ISDB,XFXPKEVQMIUIEY-UHFFFAOYSA-N,"InChI=1S/C12H13NO3/c1-13-11(14)7-10(16-3)8-5-4-6-9(15-2)12(8)13/h4-7H,1-3H3",COc1cc(=O)n(C)c2c(OC)cccc12,C12H13NO3,,219.089543276,XFXPKEVQMIUIEY,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,Boronia pinnata,5747713.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Boronia'],['Boronia pinnata'],4,3,6.675410985946655 148610,6359,545,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,0.29385275,ISDB,XFXPKEVQMIUIEY-UHFFFAOYSA-N,"InChI=1S/C12H13NO3/c1-13-11(14)7-10(16-3)8-5-4-6-9(15-2)12(8)13/h4-7H,1-3H3",COc1cc(=O)n(C)c2c(OC)cccc12,C12H13NO3,,219.089543276,XFXPKEVQMIUIEY,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,Haplophyllum griffithianum,520170.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Haplophyllum'],['Haplophyllum griffithianum'],4,3,6.675410985946655 148611,6359,545,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,0.29385275,ISDB,XFXPKEVQMIUIEY-UHFFFAOYSA-N,"InChI=1S/C12H13NO3/c1-13-11(14)7-10(16-3)8-5-4-6-9(15-2)12(8)13/h4-7H,1-3H3",COc1cc(=O)n(C)c2c(OC)cccc12,C12H13NO3,,219.089543276,XFXPKEVQMIUIEY,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,Almeidea rubra,5747580.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Almeidea'],['Almeidea rubra'],4,3,6.675410985946655 148612,6359,545,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,0.29385275,ISDB,XFXPKEVQMIUIEY-UHFFFAOYSA-N,"InChI=1S/C12H13NO3/c1-13-11(14)7-10(16-3)8-5-4-6-9(15-2)12(8)13/h4-7H,1-3H3",COc1cc(=O)n(C)c2c(OC)cccc12,C12H13NO3,,219.089543276,XFXPKEVQMIUIEY,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,Haplophyllum bungei,762610.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Haplophyllum'],['Haplophyllum bungei'],4,3,6.675410985946655 148613,6359,545,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,0.29385275,ISDB,XFXPKEVQMIUIEY-UHFFFAOYSA-N,"InChI=1S/C12H13NO3/c1-13-11(14)7-10(16-3)8-5-4-6-9(15-2)12(8)13/h4-7H,1-3H3",COc1cc(=O)n(C)c2c(OC)cccc12,C12H13NO3,,219.089543276,XFXPKEVQMIUIEY,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,Haplophyllum dauricum,762604.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Haplophyllum'],['Haplophyllum dauricum'],4,3,6.675410985946655 148601,6356,-1,,,,0.5595636,ISDB,GQPHVVDGJWHSMR-MRVPVSSYSA-N,"InChI=1S/C12H15NO4/c1-7-8(2)17-12(16)11(7)13-9(5-14)3-4-10(13)6-15/h3-4,8,14-15H,5-6H2,1-2H3/t8-/m1/s1",CC1=C(n2c(CO)ccc2CO)C(=O)O[C@@H]1C,C12H15NO4,,237.10010796,GQPHVVDGJWHSMR,Polyketides,,,Quararibea funebris,5762173.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Quararibea'],['Quararibea funebris'],4,0,6.2382543087005615 148596,6354,1796,,,,0.28664836,ISDB,,,,,,,ZERCSHNDTDRBCI,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.146593451499939 148587,6353,75,Terpenoids,Diterpenoids,Polyprenol derivatives,0.40618357,ISDB,ARZVCSLAOOTNER-UHFFFAOYSA-N,"InChI=1S/C38H64O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-20-35(40)41-28-36(4)23-19-24-37(5)32-22-21-31-27-38(32,26-29(31)2)34(25-33(36)37)42-30(3)39/h31-34H,2,6-28H2,1,3-5H3",C=C1CC23CC1CCC2C1(C)CCCC(C)(COC(=O)CCCCCCCCCCCCCCC)C1CC3OC(C)=O,C38H64O4,,584.480460528,ARZVCSLAOOTNER,Terpenoids,Diterpenoids,Labdane diterpenoids,Sideritis lotsyi,218375.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Stachydeae'],['Sideritis'],['Sideritis lotsyi'],4,2,6.624734282493591 148588,6353,75,Terpenoids,Diterpenoids,Polyprenol derivatives,0.40618357,ISDB,ARZVCSLAOOTNER-QCBCFOTHSA-N,"InChI=1S/C38H64O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-20-35(40)41-28-36(4)23-19-24-37(5)32-22-21-31-27-38(32,26-29(31)2)34(25-33(36)37)42-30(3)39/h31-34H,2,6-28H2,1,3-5H3/t31-,32+,33-,34+,36-,37+,38+/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@](C)(COC(=O)CCCCCCCCCCCCCCC)[C@H]1C[C@@H]3OC(C)=O,C38H64O4,,584.4804605279999,ARZVCSLAOOTNER,Terpenoids,Diterpenoids,Labdane diterpenoids,Sideritis soluta,290043.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Stachydeae'],['Sideritis'],['Sideritis soluta'],4,2,6.624734282493591 148589,6353,75,Terpenoids,Diterpenoids,Polyprenol derivatives,0.40618357,ISDB,ARZVCSLAOOTNER-QCBCFOTHSA-N,"InChI=1S/C38H64O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-20-35(40)41-28-36(4)23-19-24-37(5)32-22-21-31-27-38(32,26-29(31)2)34(25-33(36)37)42-30(3)39/h31-34H,2,6-28H2,1,3-5H3/t31-,32+,33-,34+,36-,37+,38+/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@](C)(COC(=O)CCCCCCCCCCCCCCC)[C@H]1C[C@@H]3OC(C)=O,C38H64O4,,584.4804605279999,ARZVCSLAOOTNER,Terpenoids,Diterpenoids,Labdane diterpenoids,Sideritis ferrensis,218364.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Stachydeae'],['Sideritis'],['Sideritis ferrensis'],4,2,6.624734282493591 148590,6353,75,Terpenoids,Diterpenoids,Polyprenol derivatives,0.40618357,ISDB,ARZVCSLAOOTNER-QCBCFOTHSA-N,"InChI=1S/C38H64O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-20-35(40)41-28-36(4)23-19-24-37(5)32-22-21-31-27-38(32,26-29(31)2)34(25-33(36)37)42-30(3)39/h31-34H,2,6-28H2,1,3-5H3/t31-,32+,33-,34+,36-,37+,38+/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@](C)(COC(=O)CCCCCCCCCCCCCCC)[C@H]1C[C@@H]3OC(C)=O,C38H64O4,,584.4804605279999,ARZVCSLAOOTNER,Terpenoids,Diterpenoids,Labdane diterpenoids,Sideritis cystosiphon,742029.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Stachydeae'],['Sideritis'],['Sideritis cystosiphon'],4,2,6.624734282493591 148571,6352,-1,,,,0.37886128,ISDB,IVQLNJTZWHCVDN-JMSRHPTLSA-N,"InChI=1S/C16H28O8/c1-9(6-7-17)4-3-5-10(2)15(22)24-16-14(21)13(20)12(19)11(8-18)23-16/h5,9,11-14,16-21H,3-4,6-8H2,1-2H3/b10-5+/t9-,11+,12+,13-,14+,16-/m0/s1",C/C(=C\CC[C@H](C)CCO)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H28O8,,348.178417856,IVQLNJTZWHCVDN,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Sambucus ebulus,22350.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Adoxaceae'],['Unknown'],['Sambucus'],['Sambucus ebulus'],5,0,6.515445113182068 148368,6351,-1,,,,0.0,MS1_match,WLYRYWQOUXKANL-JMJQRBITSA-N,"InChI=1S/C11H18O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h5,8-9H,4,6-7H2,1-3H3/b9-8-,10-5+",C/C=C(\C)C(=O)O/C=C\CCCC,C11H18O2,pos_1_1proton2acetonitrile,182.130679816,WLYRYWQOUXKANL,,,,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 148369,6351,-1,,,,0.0,MS1_match,JNWQKXUWZWKUAY-JQEGGOPCSA-N,"InChI=1S/C11H18O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h5-7H,4,8-9H2,1-3H3/b7-6-,10-5+",C/C=C(\C)C(=O)OCC/C=C\CC,C11H18O2,pos_1_1proton2acetonitrile,182.130679816,JNWQKXUWZWKUAY,Fatty acids,Fatty esters,Wax monoesters,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 148364,6347,122,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Iridoids monoterpenoids,0.0,MS1_match,ZHFDCOHUCIESBS-UHFFFAOYSA-N,"InChI=1S/C22H28O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h7-8,10,12,17,20-21H,6,9,11H2,1-5H3",CC(=O)OCC1=COC(OC(=O)C=C(C)C)C2C1=CC(OC(=O)CC(C)C)C21CO1,C22H28O8,pos_2_2proton2acetonitrile,420.178417856,ZHFDCOHUCIESBS,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,3,7.5 148365,6347,122,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Iridoids monoterpenoids,0.0,MS1_match,ZHFDCOHUCIESBS-KVJIRVJXSA-N,"InChI=1S/C22H28O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h7-8,10,12,17,20-21H,6,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)C=C(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H28O8,pos_2_2proton2acetonitrile,420.1784178559999,ZHFDCOHUCIESBS,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana sorbifolia,445623.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana sorbifolia'],6,3,7.5 148366,6347,122,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Iridoids monoterpenoids,0.0,MS1_match,ZHFDCOHUCIESBS-UHFFFAOYSA-N,"InChI=1S/C22H28O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h7-8,10,12,17,20-21H,6,9,11H2,1-5H3",CC(=O)OCC1=COC(OC(=O)C=C(C)C)C2C1=CC(OC(=O)CC(C)C)C21CO1,C22H28O8,pos_2_2proton2acetonitrile,420.178417856,ZHFDCOHUCIESBS,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,3,7.5 148367,6347,122,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Iridoids monoterpenoids,0.0,MS1_match,ZHFDCOHUCIESBS-KVJIRVJXSA-N,"InChI=1S/C22H28O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h7-8,10,12,17,20-21H,6,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)C=C(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H28O8,pos_2_2proton2acetonitrile,420.1784178559999,ZHFDCOHUCIESBS,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana sorbifolia,445623.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana sorbifolia'],6,3,7.5 148360,6346,280,Alkaloids,Monoterpenoids,Terpenoid alkaloids,0.7899317,ISDB,RYVHAUGLXQMZCK-UHFFFAOYSA-N,"InChI=1S/C13H15NO4/c1-4-7-11(17-2)8-5-6-9(15)12(18-3)10(8)14-13(7)16/h5-6,15H,4H2,1-3H3,(H,14,16)",CCc1c(O)nc2c(OC)c(O)ccc2c1OC,C13H15NO4,,249.10010796,RYVHAUGLXQMZCK,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,Haplophyllum acutifolium,239196.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Haplophyllum'],['Haplophyllum acutifolium'],4,1,7.659726858139038 148359,6345,690,,,,0.61797965,ISDB,,,,,,,WFDXOXNFNRHQEC,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.4719185829162598 148358,6341,-1,,,,0.0,MS1_match,VESROWPDCSMBRM-RMTQGBGSSA-N,"InChI=1S/C14H22O2/c1-9-4-5-11(8-10(2)15)14-12(9)6-7-13(14,3)16-14/h9,11-12H,4-8H2,1-3H3/t9-,11+,12-,13+,14-/m1/s1",CC(=O)C[C@@H]1CC[C@@H](C)[C@H]2CC[C@]3(C)O[C@]123,C14H22O2,pos_2MCH3CNNa,222.161979944,VESROWPDCSMBRM,Terpenoids,Sesquiterpenoids,Arteminisin,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 148353,6333,-1,,,,0.0,MS1_match,FCQBGPOADKWYEG-MNRUEBDGSA-N,"InChI=1S/C38H40O10/c1-23-20-29(40)32(45-24(2)39)37(22-44-33(41)25-14-8-5-9-15-25)30(46-34(42)26-16-10-6-11-17-26)21-28-31(38(23,37)48-36(28,3)4)47-35(43)27-18-12-7-13-19-27/h5-19,23,28-32,40H,20-22H2,1-4H3/t23-,28-,29+,30+,31-,32+,37-,38-/m1/s1",CC(=O)O[C@H]1[C@@H](O)C[C@@H](C)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)c4ccccc4)[C@]12COC(=O)c1ccccc1)[C@H]3OC(=O)c1ccccc1,C38H40O10,pos_1_1proton1methanol,656.26214748,FCQBGPOADKWYEG,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Microtropis fokienensis,1015845.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Microtropis'],['Microtropis fokienensis'],6,0,6.0 148354,6333,-1,,,,0.0,MS1_match,ZKSJYLLIQBNONM-MYQHGJAJSA-N,"InChI=1S/C38H40O10/c1-23-20-29(45-24(2)39)31(40)37(22-44-33(41)25-14-8-5-9-15-25)30(46-34(42)26-16-10-6-11-17-26)21-28-32(38(23,37)48-36(28,3)4)47-35(43)27-18-12-7-13-19-27/h5-19,23,28-32,40H,20-22H2,1-4H3/t23-,28-,29+,30+,31+,32-,37-,38-/m1/s1",CC(=O)O[C@H]1C[C@@H](C)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)c4ccccc4)[C@]2(COC(=O)c2ccccc2)[C@H]1O)[C@H]3OC(=O)c1ccccc1,C38H40O10,pos_1_1proton1methanol,656.26214748,ZKSJYLLIQBNONM,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Microtropis fokienensis,1015845.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Microtropis'],['Microtropis fokienensis'],6,0,6.0 148355,6333,-1,,,,0.0,MS1_match,KRIXKONSAFPFFK-UHFFFAOYSA-N,"InChI=1S/C38H40O10/c1-22-21-27(45-33(41)24-15-9-6-10-16-24)31(44-23(2)39)37(5)32(47-35(43)26-19-13-8-14-20-26)29(46-34(42)25-17-11-7-12-18-25)28-30(40)38(22,37)48-36(28,3)4/h6-20,22,27-32,40H,21H2,1-5H3",CC(=O)OC1C(OC(=O)c2ccccc2)CC(C)C23OC(C)(C)C(C(OC(=O)c4ccccc4)C(OC(=O)c4ccccc4)C12C)C3O,C38H40O10,pos_1_1proton1methanol,656.26214748,KRIXKONSAFPFFK,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Celastrus rosthornianus,458804.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Celastrus'],['Celastrus rosthornianus'],6,0,6.0 148356,6333,-1,,,,0.0,MS1_match,LJHPXWBIYHMNIM-GXEJTTBMSA-N,"InChI=1S/C38H40O10/c1-22-21-27(40)31(47-33(41)24-15-9-6-10-16-24)37(5)30(35(43)46-26-19-13-8-14-20-26)28(34(42)45-25-17-11-7-12-18-25)29-32(44-23(2)39)38(22,37)48-36(29,3)4/h6-20,22,27-32,40H,21H2,1-5H3/t22-,27+,28-,29-,30+,31+,32-,37-,38-/m1/s1",CC(=O)O[C@@H]1[C@H]2[C@@H](C(=O)Oc3ccccc3)[C@@H](C(=O)Oc3ccccc3)[C@]3(C)[C@@H](OC(=O)c4ccccc4)[C@@H](O)C[C@@H](C)[C@@]13OC2(C)C,C38H40O10,pos_1_1proton1methanol,656.26214748,LJHPXWBIYHMNIM,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Tripterygium wilfordii,300831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium wilfordii'],6,0,6.0 148357,6333,-1,,,,0.0,MS1_match,AHUFIGKVFOERTN-RSWJJYNZSA-N,"InChI=1S/C38H40O10/c1-22-21-27(40)30(46-34(42)25-17-11-7-12-18-25)37(5)32(47-35(43)26-19-13-8-14-20-26)29(45-33(41)24-15-9-6-10-16-24)28-31(44-23(2)39)38(22,37)48-36(28,3)4/h6-20,22,27-32,40H,21H2,1-5H3/t22-,27+,28-,29-,30+,31-,32-,37+,38-/m1/s1",CC(=O)O[C@@H]1[C@H]2[C@@H](OC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@]3(C)[C@@H](OC(=O)c4ccccc4)[C@@H](O)C[C@@H](C)[C@@]13OC2(C)C,C38H40O10,pos_1_1proton1methanol,656.26214748,AHUFIGKVFOERTN,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Tripterygium wilfordii,300831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium wilfordii'],6,0,6.0 148348,6331,-1,,,,0.0,MS1_match,SXXOKKBSVARFFB-UHFFFAOYSA-N,"InChI=1S/C27H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-30-27(29)23-20-25-18-21-26(28)22-19-25/h18-23,28H,2-17,24H2,1H3",CCCCCCCCCCCCCCCCCCOC(=O)C=Cc1ccc(O)cc1,C27H44O3,pos_1_sodium,416.329045268,SXXOKKBSVARFFB,,,,Celastrus hypoleucus,1019456.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Celastrus'],['Celastrus hypoleucus'],6,0,6.0 148349,6331,-1,,,,0.0,MS1_match,POULHZVOKOAJMA-UHFFFAOYSA-N,"InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)",CCCCCCCCCCCC(=O)O,C12H24O2,pos_2MK,200.177630008,POULHZVOKOAJMA,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Patrinia villosa,971855.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia villosa'],6,0,6.0 148350,6331,-1,,,,0.0,MS1_match,POULHZVOKOAJMA-UHFFFAOYSA-N,"InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)",CCCCCCCCCCCC(=O)O,C12H24O2,pos_2MK,200.177630008,POULHZVOKOAJMA,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Monteverdia ilicifolia,433235.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Monteverdia'],['Monteverdia ilicifolia'],6,0,6.0 148351,6331,-1,,,,0.0,MS1_match,POULHZVOKOAJMA-UHFFFAOYSA-N,"InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)",CCCCCCCCCCCC(=O)O,C12H24O2,pos_2MK,200.177630008,POULHZVOKOAJMA,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Monteverdia truncata,7054806.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Monteverdia'],['Monteverdia truncata'],6,0,6.0 148352,6331,-1,,,,0.0,MS1_match,POULHZVOKOAJMA-UHFFFAOYSA-N,"InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)",CCCCCCCCCCCC(=O)O,C12H24O2,pos_2MK,200.177630008,POULHZVOKOAJMA,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Celastrus paniculatus,561287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Celastrus'],['Celastrus paniculatus'],6,0,6.0 148309,6330,-1,,,,0.21789485,ISDB,LPOVXLVQNSEZGE-UHFFFAOYSA-N,"InChI=1S/C17H24O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,10-14,16-18,20-22H,3-4H2,1-2H3",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(C)C(=O)CC12,C17H24O10,,388.1369469679999,LPOVXLVQNSEZGE,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],7,0,7.87157940864563 148310,6330,-1,,,,0.21789485,ISDB,LPOVXLVQNSEZGE-PMRPVAAPSA-N,"InChI=1S/C17H24O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,10-14,16-18,20-22H,3-4H2,1-2H3/t6-,7+,10+,11+,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1CC(=O)[C@@H]2C,C17H24O10,,388.1369469679999,LPOVXLVQNSEZGE,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera morrowii,484242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],7,0,7.87157940864563 148242,6329,117,Terpenoids,Octadecanoids,Other Octadecanoids,0.23932849,ISDB,VBBXZFLAYWAXSK-RONQOHQESA-N,"InChI=1S/C17H24O4/c1-9-5-6-13(7-11(3)17(19)20)15-10(2)8-14(16(9)15)21-12(4)18/h7,9,13-14,16H,5-6,8H2,1-4H3,(H,19,20)/b11-7+/t9-,13+,14+,16+/m1/s1",CC(=O)O[C@H]1CC(C)=C2[C@H]1[C@H](C)CC[C@H]2/C=C(\C)C(=O)O,C17H24O4,,292.167459248,VBBXZFLAYWAXSK,Terpenoids,Sesquiterpenoids,Valerenane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,1,7.45731395483017 148243,6329,117,Terpenoids,Octadecanoids,Other Octadecanoids,0.23932849,ISDB,VBBXZFLAYWAXSK-YRNVUSSQSA-N,"InChI=1S/C17H24O4/c1-9-5-6-13(7-11(3)17(19)20)15-10(2)8-14(16(9)15)21-12(4)18/h7,9,13-14,16H,5-6,8H2,1-4H3,(H,19,20)/b11-7+",CC(=O)OC1CC(C)=C2C(/C=C(\C)C(=O)O)CCC(C)C21,C17H24O4,,292.167459248,VBBXZFLAYWAXSK,Terpenoids,Sesquiterpenoids,Valerenane sesquiterpenoids,Valeriana wolgensis,5746446.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana wolgensis'],6,1,7.45731395483017 148241,6325,706,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,MILUXBBEUPIOMH-NCKFJCGRSA-N,"InChI=1S/C32H52O5/c1-8-36-26-32-10-9-21-29(5,22(32)17-20(33)24(37-26)19(32)2)14-16-31(7)23-18-28(4,25(34)35)12-11-27(23,3)13-15-30(21,31)6/h19-24,26,33H,8-18H2,1-7H3,(H,34,35)/t19-,20+,21-,22-,23+,24+,26+,27+,28+,29+,30+,31-,32+/m0/s1",CCO[C@@H]1O[C@H]2[C@H](O)C[C@H]3[C@]4(C)CC[C@@]5(C)[C@@H]6C[C@](C)(C(=O)O)CC[C@]6(C)CC[C@]5(C)[C@H]4CC[C@]13[C@H]2C,C32H52O5,pos_1_sodium,516.381474764,MILUXBBEUPIOMH,Terpenoids,Triterpenoids,Friedelane triterpenoids,Tripterygium wilfordii,300831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium wilfordii'],6,2,7.0 148239,6321,-1,,,,0.0,MS1_match,ADNADZOSMJDVIS-UHFFFAOYSA-N,"InChI=1S/C9H18O2/c1-4-5-6-9(10)11-7-8(2)3/h8H,4-7H2,1-3H3",CCCCC(=O)OCC(C)C,C9H18O2,pos_2MHCH3CN,158.130679816,ADNADZOSMJDVIS,Fatty acids,Fatty esters,Wax monoesters,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 148240,6321,-1,,,,0.0,MS1_match,OKJADYKTJJGKDX-UHFFFAOYSA-N,"InChI=1S/C9H18O2/c1-3-5-7-9(10)11-8-6-4-2/h3-8H2,1-2H3",CCCCOC(=O)CCCC,C9H18O2,pos_2MHCH3CN,158.130679816,OKJADYKTJJGKDX,Fatty acids,Fatty esters,Wax monoesters,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 148237,6320,-1,,,,0.0,MS1_match,HMTVXYYWICMXMY-YSVDCJIHSA-N,"InChI=1S/C15H26O3/c1-8-5-11(16)13-9(8)6-10-12(17)7-15(13,4)18-14(10,2)3/h8-13,16-17H,5-7H2,1-4H3/t8-,9-,10+,11-,12+,13+,15+/m1/s1",C[C@@H]1C[C@@H](O)[C@@H]2[C@@H]1C[C@H]1[C@@H](O)C[C@]2(C)OC1(C)C,C15H26O3,pos_1_1proton1methanol,254.188194692,HMTVXYYWICMXMY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 148238,6320,-1,,,,0.0,MS1_match,HMTVXYYWICMXMY-YSVDCJIHSA-N,"InChI=1S/C15H26O3/c1-8-5-11(16)13-9(8)6-10-12(17)7-15(13,4)18-14(10,2)3/h8-13,16-17H,5-7H2,1-4H3/t8-,9-,10+,11-,12+,13+,15+/m1/s1",C[C@@H]1C[C@@H](O)[C@@H]2[C@@H]1C[C@H]1[C@@H](O)C[C@]2(C)OC1(C)C,C15H26O3,pos_1_1proton1methanol,254.188194692,HMTVXYYWICMXMY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Valeriana fauriei,228778.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana fauriei'],6,0,6.0 148235,6319,-1,,,,0.5745165,ISDB,,,,,,,VQQDSKQZMSNFHR,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.2980659008026123 148224,6306,215,Terpenoids,Steroids,Cardenolides,0.0,MS1_match,HCZAFKIGYZFVCO-SYBTYGMXSA-N,"InChI=1S/C35H54O14/c1-15-30(49-32-28(42)26(40)25(39)22(13-36)48-32)27(41)29(43)31(46-15)47-18-11-17-4-5-21-20(34(17,3)23(37)12-18)6-8-33(2)19(7-9-35(21,33)44)16-10-24(38)45-14-16/h10,15,17-23,25-32,36-37,39-44H,4-9,11-14H2,1-3H3/t15-,17+,18+,19+,20-,21+,22+,23+,25+,26-,27-,28+,29+,30-,31-,32-,33+,34-,35-/m0/s1",C[C@@H]1O[C@@H](O[C@@H]2C[C@H]3CC[C@@H]4[C@H](CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]45O)[C@@]3(C)[C@H](O)C2)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C35H54O14,pos_2_2proton2acetonitrile,698.351356408,HCZAFKIGYZFVCO,Terpenoids,Steroids,Cardenolides,Euonymus alatus,601141.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus alatus'],7,3,8.5 148225,6306,215,Terpenoids,Steroids,Cardenolides,0.0,MS1_match,DPHZHOXPZJMWTP-NDAFQYKHSA-N,"InChI=1S/C35H54O14/c1-15-25(39)28(42)30(49-31-29(43)27(41)26(40)22(13-36)48-31)32(46-15)47-18-11-17-4-5-21-20(34(17,3)23(37)12-18)6-8-33(2)19(7-9-35(21,33)44)16-10-24(38)45-14-16/h10,15,17-23,25-32,36-37,39-44H,4-9,11-14H2,1-3H3/t15-,17+,18+,19+,20-,21+,22+,23+,25-,26+,27-,28+,29+,30+,31-,32-,33+,34-,35-/m0/s1",C[C@@H]1O[C@@H](O[C@@H]2C[C@H]3CC[C@@H]4[C@H](CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]45O)[C@@]3(C)[C@H](O)C2)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O,C35H54O14,pos_2_2proton2acetonitrile,698.351356408,DPHZHOXPZJMWTP,Terpenoids,Steroids,Cardenolides,Euonymus alatus,601141.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus alatus'],7,3,8.5 148226,6306,215,Terpenoids,Steroids,Cardenolides,0.0,MS1_match,DPHZHOXPZJMWTP-NDAFQYKHSA-N,"InChI=1S/C35H54O14/c1-15-25(39)28(42)30(49-31-29(43)27(41)26(40)22(13-36)48-31)32(46-15)47-18-11-17-4-5-21-20(34(17,3)23(37)12-18)6-8-33(2)19(7-9-35(21,33)44)16-10-24(38)45-14-16/h10,15,17-23,25-32,36-37,39-44H,4-9,11-14H2,1-3H3/t15-,17+,18+,19+,20-,21+,22+,23+,25-,26+,27-,28+,29+,30+,31-,32-,33+,34-,35-/m0/s1",C[C@@H]1O[C@@H](O[C@@H]2C[C@H]3CC[C@@H]4[C@H](CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]45O)[C@@]3(C)[C@H](O)C2)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O,C35H54O14,pos_2_2proton2acetonitrile,698.351356408,DPHZHOXPZJMWTP,Terpenoids,Steroids,Cardenolides,Euonymus hamiltonianus,174310.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus hamiltonianus'],7,3,8.5 148222,6304,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,HMTVXYYWICMXMY-YSVDCJIHSA-N,"InChI=1S/C15H26O3/c1-8-5-11(16)13-9(8)6-10-12(17)7-15(13,4)18-14(10,2)3/h8-13,16-17H,5-7H2,1-4H3/t8-,9-,10+,11-,12+,13+,15+/m1/s1",C[C@@H]1C[C@@H](O)[C@@H]2[C@@H]1C[C@H]1[C@@H](O)C[C@]2(C)OC1(C)C,C15H26O3,pos_1_1proton1methanol,254.188194692,HMTVXYYWICMXMY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 148223,6304,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,HMTVXYYWICMXMY-YSVDCJIHSA-N,"InChI=1S/C15H26O3/c1-8-5-11(16)13-9(8)6-10-12(17)7-15(13,4)18-14(10,2)3/h8-13,16-17H,5-7H2,1-4H3/t8-,9-,10+,11-,12+,13+,15+/m1/s1",C[C@@H]1C[C@@H](O)[C@@H]2[C@@H]1C[C@H]1[C@@H](O)C[C@]2(C)OC1(C)C,C15H26O3,pos_1_1proton1methanol,254.188194692,HMTVXYYWICMXMY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Valeriana fauriei,228778.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana fauriei'],6,0,6.0 148217,6301,-1,,,,0.6984941,ISDB,BQVUABVGYYSDCJ-ZFWWWQNUSA-N,"InChI=1S/C17H23N3O3/c1-10(2)7-13(18)16(21)20-15(17(22)23)8-11-9-19-14-6-4-3-5-12(11)14/h3-6,9-10,13,15,19H,7-8,18H2,1-2H3,(H,20,21)(H,22,23)/t13-,15-/m0/s1",CC(C)C[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O,C17H23N3O3,,317.173941596,BQVUABVGYYSDCJ,Amino acids and Peptides,Small peptides,Dipeptides,Trypanosoma brucei,494245.0,['Eukaryota'],['Unknown'],['Unknown'],['Unknown'],['Kinetoplastea'],['Unknown'],['Unknown'],['Trypanosoma'],['Trypanosoma brucei'],1,0,3.793976306915283 148213,6296,121,Alkaloids,Lysine alkaloids,Piperidine alkaloids,0.0,MS1_match,QGMXLNCOBCGXMO-HNNXBMFYSA-N,"InChI=1S/C16H25N3O2/c20-16-13-15(14-7-2-1-3-8-14)17-9-4-5-11-19(21)12-6-10-18-16/h1-3,7-8,15,17,21H,4-6,9-13H2,(H,18,20)/t15-/m0/s1",O=C1C[C@@H](c2ccccc2)NCCCCN(O)CCCN1,C16H25N3O2,pos_1_1proton1methanol,291.19467704,QGMXLNCOBCGXMO,Alkaloids,Ornithine alkaloids,Polyamines,Maytenus buxifolia,1060181.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Maytenus'],['Maytenus buxifolia'],6,1,6.5 148212,6293,-1,,,,0.23076408,ISDB,,,,,,,IKMACLPPKYTRBX,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.9230563044548035 148199,6292,121,Alkaloids,Lysine alkaloids,Piperidine alkaloids,0.47071066,ISDB,PSOQPSXOOXHHBU-UHFFFAOYSA-N,"InChI=1S/C22H31NO/c1-14-18-6-7-20-17-5-4-15-12-16(24)8-10-21(15,2)19(17)9-11-22(18,20)13-23(14)3/h8,10,12,14,17-20H,4-7,9,11,13H2,1-3H3",CC1C2CCC3C4CCC5=CC(=O)C=CC5(C)C4CCC32CN1C,C22H31NO,,325.240564612,PSOQPSXOOXHHBU,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Holarrhena pubescens,495827.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Malouetieae'],['Holarrhena'],['Holarrhena pubescens'],4,1,6.382842659950256 148200,6292,121,Alkaloids,Lysine alkaloids,Piperidine alkaloids,0.47071066,ISDB,PSOQPSXOOXHHBU-TVDWCQHHSA-N,"InChI=1S/C22H31NO/c1-14-18-6-7-20-17-5-4-15-12-16(24)8-10-21(15,2)19(17)9-11-22(18,20)13-23(14)3/h8,10,12,14,17-20H,4-7,9,11,13H2,1-3H3/t14-,17-,18+,19-,20-,21+,22+/m0/s1",C[C@H]1[C@H]2CC[C@H]3[C@H]4CCC5=CC(=O)C=C[C@@]5(C)[C@H]4CC[C@@]23CN1C,C22H31NO,,325.240564612,PSOQPSXOOXHHBU,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Holarrhena floribunda,3870702.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Malouetieae'],['Holarrhena'],['Holarrhena floribunda'],4,1,6.382842659950256 148201,6292,121,Alkaloids,Lysine alkaloids,Piperidine alkaloids,0.47071066,ISDB,PSOQPSXOOXHHBU-LJZXKFISSA-N,"InChI=1S/C22H31NO/c1-14-18-6-7-20-17-5-4-15-12-16(24)8-10-21(15,2)19(17)9-11-22(18,20)13-23(14)3/h8,10,12,14,17-20H,4-7,9,11,13H2,1-3H3/t14-,17+,18+,19-,20-,21-,22-/m0/s1",C[C@H]1[C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4CC[C@]23CN1C,C22H31NO,,325.24056461200007,PSOQPSXOOXHHBU,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Wrightia antidysenterica,495827.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Malouetieae'],['Holarrhena'],['Holarrhena pubescens'],4,1,6.382842659950256 148115,6289,58,Polyketides,Glycerolipids,Glycosyldiacylglycerols,0.74650025,ISDB,JDVDGNAHTZMMBI-UHFFFAOYSA-N,"InChI=1S/C21H36O3/c1-5-7-8-9-10-11-12-13-14-15-16-19-17(3)20(22)18(6-2)21(23-4)24-19/h5-16H2,1-4H3",CCCCCCCCCCCCc1oc(OC)c(CC)c(=O)c1C,C21H36O3,,336.266445012,JDVDGNAHTZMMBI,Polyketides,Cyclic polyketides,4-pyrone derivatives,Podolepis rugata,24091.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Podolepis'],['Podolepis rugata'],4,1,7.486001014709473 148110,6286,137,Terpenoids,Sesquiterpenoids,Wax monoesters,0.0,MS1_match,XXZPXRQPWFAXCK-WQFMGJDKSA-N,"InChI=1S/C17H26O5/c1-10(2)7-15(19)22-17-16-11(3)5-6-14(16)13(9-21-17)8-20-12(4)18/h9-11,14,16-17H,5-8H2,1-4H3/t11-,14+,16+,17-/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2[C@@H]1CC[C@@H]2C,C17H26O5,pos_1_minus1proton2sodium,310.178023932,XXZPXRQPWFAXCK,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,1,6.5 148109,6285,331,Fatty acids,Fatty esters,Wax monoesters,0.36873233,ISDB,,,,,,,MXSVVKSZJQKNBC,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.4749293327331543 148107,6283,-1,,,,0.0,MS1_match,SGUOENJPMRQEMJ-PLNGHNRSSA-N,"InChI=1S/C19H34O9/c1-10(21)5-6-19(26)17(2,3)7-11(8-18(19,4)25)27-16-15(24)14(23)13(22)12(9-20)28-16/h5-6,10-16,20-26H,7-9H2,1-4H3/t10-,11-,12-,13-,14+,15-,16-,18+,19+/m1/s1",C[C@@H](O)C=C[C@]1(O)C(C)(C)C[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C[C@]1(C)O,C19H34O9,pos_1_1potassium,406.220282668,SGUOENJPMRQEMJ,Terpenoids,Apocarotenoids,Megastigmanes,Salacia chinensis,380833.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Salacia'],['Salacia chinensis'],6,0,6.0 148108,6283,-1,,,,0.0,MS1_match,FCSXIFYRVMQLAX-HPMNXYLDSA-N,"InChI=1S/C19H34O9/c1-10-6-12(7-18(2,3)19(10,26)5-4-11(22)8-20)27-17-16(25)15(24)14(23)13(9-21)28-17/h4-5,10-17,20-26H,6-9H2,1-3H3/b5-4+/t10-,11+,12+,13-,14+,15+,16-,17-,19-/m1/s1",C[C@@H]1C[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)CC(C)(C)[C@@]1(O)/C=C/[C@H](O)CO,C19H34O9,pos_1_1potassium,406.220282668,FCSXIFYRVMQLAX,Terpenoids,Apocarotenoids,Megastigmanes,Monteverdia ilicifolia,433235.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Monteverdia'],['Monteverdia ilicifolia'],6,0,6.0 148103,6282,-1,,,,0.0,MS1_match,IBFPFYPZOPHYKC-RVSDKLHUSA-N,"InChI=1S/C29H44O4/c1-17-18-7-8-21-27(4,19(18)15-20(30)23(17)31)12-14-29(6)22-16-26(3,24(32)33)10-9-25(22,2)11-13-28(21,29)5/h19-22,30H,7-16H2,1-6H3,(H,32,33)/t19-,20+,21+,22-,25-,26-,27+,28-,29+/m1/s1",CC1=C2CC[C@H]3[C@@](C)(CC[C@@]4(C)[C@@H]5C[C@](C)(C(=O)O)CC[C@]5(C)CC[C@]34C)[C@@H]2C[C@H](O)C1=O,C29H44O4,pos_1_1proton1ammonium,456.323959888,IBFPFYPZOPHYKC,Terpenoids,Triterpenoids,Friedelane triterpenoids,Tripterygium wilfordii,300831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium wilfordii'],6,0,6.0 148104,6282,-1,,,,0.0,MS1_match,RDOIACMZJPLQIZ-UHFFFAOYSA-N,"InChI=1S/C29H44O4/c1-16-9-12-29(25(32)33)14-13-27(5)20(23(29)17(16)2)7-8-22-26(4)15-21(30)24(31)18(3)19(26)10-11-28(22,27)6/h7,16-17,19,21-24,30-31H,3,8-15H2,1-2,4-6H3,(H,32,33)",C=C1C(O)C(O)CC2(C)C1CCC1(C)C2CC=C2C3C(C)C(C)CCC3(C(=O)O)CCC21C,C29H44O4,pos_1_1proton1ammonium,456.323959888,RDOIACMZJPLQIZ,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Weigela subsessilis,82213.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Weigela'],['Weigela subsessilis'],6,0,6.0 148105,6282,-1,,,,0.0,MS1_match,RDOIACMZJPLQIZ-UHFFFAOYSA-N,"InChI=1S/C29H44O4/c1-16-9-12-29(25(32)33)14-13-27(5)20(23(29)17(16)2)7-8-22-26(4)15-21(30)24(31)18(3)19(26)10-11-28(22,27)6/h7,16-17,19,21-24,30-31H,3,8-15H2,1-2,4-6H3,(H,32,33)",C=C1C(O)C(O)CC2(C)C1CCC1(C)C2CC=C2C3C(C)C(C)CCC3(C(=O)O)CCC21C,C29H44O4,pos_1_1proton1ammonium,456.323959888,RDOIACMZJPLQIZ,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Weigela subsessilis,82213.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Weigela'],['Weigela subsessilis'],6,0,6.0 148106,6282,-1,,,,0.0,MS1_match,QYVZEPLDLPYECM-UHFFFAOYSA-N,"InChI=1S/C27H44O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-31-27(30)21-19-24-18-20-25(28)26(29)23-24/h18-21,23,28-29H,2-17,22H2,1H3",CCCCCCCCCCCCCCCCCCOC(=O)C=Cc1ccc(O)c(O)c1,C27H44O4,pos_1_1proton1acetonitrile,432.32395988799993,QYVZEPLDLPYECM,Shikimates and Phenylpropanoids,,,Celastrus hypoleucus,1019456.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Celastrus'],['Celastrus hypoleucus'],6,0,6.0 148099,6279,-1,,,,0.0,MS1_match,CVNWHGNSIXIBPG-GWKMRXIPSA-N,"InChI=1S/C20H24O5/c1-5-17(14-25-19(21)13-15(2)3)20(22)24-12-6-7-16-8-10-18(23-4)11-9-16/h5-11,13H,12,14H2,1-4H3/b7-6+,17-5-",C/C=C(/COC(=O)C=C(C)C)C(=O)OC/C=C/c1ccc(OC)cc1,C20H24O5,pos_1_sodium,344.162373868,CVNWHGNSIXIBPG,,,,Morina chinensis,68249.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Morina'],['Morina chinensis'],6,0,6.0 148100,6279,-1,,,,0.0,MS1_match,OOFFFDNFBGROFL-WYWILGHBSA-N,"InChI=1S/C20H24O5/c1-5-15(2)19(21)25-14-12-16(3)20(22)24-13-6-7-17-8-10-18(23-4)11-9-17/h5-12H,13-14H2,1-4H3/b7-6+,15-5-,16-12-",C/C=C(/C)C(=O)OC/C=C(/C)C(=O)OC/C=C/c1ccc(OC)cc1,C20H24O5,pos_1_sodium,344.162373868,OOFFFDNFBGROFL,,,,Morina chinensis,68249.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Morina'],['Morina chinensis'],6,0,6.0 148101,6279,-1,,,,0.0,MS1_match,KRXLVSZOLMEYHF-SUOLFYLESA-N,"InChI=1S/C20H24O5/c1-5-15(3)19(21)25-14-17(6-2)20(22)24-13-7-8-16-9-11-18(23-4)12-10-16/h5-12H,13-14H2,1-4H3/b8-7+,15-5-,17-6-",C/C=C(/C)C(=O)OC/C(=C/C)C(=O)OC/C=C/c1ccc(OC)cc1,C20H24O5,pos_1_sodium,344.162373868,KRXLVSZOLMEYHF,,,,Morina chinensis,68249.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Morina'],['Morina chinensis'],6,0,6.0 148102,6279,-1,,,,0.0,MS1_match,KRXLVSZOLMEYHF-UHFFFAOYSA-N,"InChI=1S/C20H24O5/c1-5-15(3)19(21)25-14-17(6-2)20(22)24-13-7-8-16-9-11-18(23-4)12-10-16/h5-12H,13-14H2,1-4H3",CC=C(C)C(=O)OCC(=CC)C(=O)OCC=Cc1ccc(OC)cc1,C20H24O5,pos_1_sodium,344.162373868,KRXLVSZOLMEYHF,,,,Cryptothladia chinensis,68249.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Morina'],['Morina chinensis'],6,0,6.0 148096,6274,-1,,,,0.0,MS1_match,LJIDRFNRDLYHNC-VIFPVBQESA-N,"InChI=1S/C12H13NO3/c14-10-5-7-3-4-13-9(1-2-12(13)16)8(7)6-11(10)15/h5-6,9,14-15H,1-4H2/t9-/m0/s1",O=C1CC[C@H]2c3cc(O)c(O)cc3CCN12,C12H13NO3,pos_1_1proton1ammonium,219.089543276,LJIDRFNRDLYHNC,Alkaloids,Lysine alkaloids,Indolizidine alkaloids,Trollius chinensis,877307.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Adonideae'],['Trollius'],['Trollius chinensis'],6,0,6.0 148097,6274,-1,,,,0.0,MS1_match,HCHLTWGUUUDWFP-UHFFFAOYSA-N,"InChI=1S/C12H13NO3/c1-13-5-4-8-6-10(15-2)11(16-3)7-9(8)12(13)14/h4-7H,1-3H3",COc1cc2ccn(C)c(=O)c2cc1OC,C12H13NO3,pos_1_1proton1ammonium,219.089543276,HCHLTWGUUUDWFP,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,Thalictrum przewalskii,782787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum przewalskii'],6,0,6.0 148098,6274,-1,,,,0.0,MS1_match,HCHLTWGUUUDWFP-UHFFFAOYSA-N,"InChI=1S/C12H13NO3/c1-13-5-4-8-6-10(15-2)11(16-3)7-9(8)12(13)14/h4-7H,1-3H3",COc1cc2ccn(C)c(=O)c2cc1OC,C12H13NO3,pos_1_1proton1ammonium,219.089543276,HCHLTWGUUUDWFP,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,Thalictrum isopyroides,98291.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum isopyroides'],6,0,6.0 148072,6260,390,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,0.0,MS1_match,UEHILKCNLIKLEV-LXABABOZSA-N,"InChI=1S/C53H86O22/c1-23-32(57)35(60)39(64)45(70-23)74-42-27(19-54)71-43(41(66)37(42)62)69-21-28-34(59)36(61)40(65)46(72-28)75-47(67)53-16-14-48(2,3)18-25(53)24-8-9-30-49(4)12-11-31(73-44-38(63)33(58)26(56)20-68-44)50(5,22-55)29(49)10-13-52(30,7)51(24,6)15-17-53/h8,23,25-46,54-66H,9-22H2,1-7H3/t23-,25-,26-,27+,28+,29+,30+,31-,32-,33-,34+,35+,36-,37+,38+,39+,40+,41+,42+,43+,44-,45-,46-,49-,50-,51+,52+,53-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C4=CC[C@@H]6[C@@]7(C)CC[C@H](O[C@@H]8OC[C@H](O)[C@H](O)[C@H]8O)[C@@](C)(CO)[C@@H]7CC[C@@]6(C)[C@]4(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O,C53H86O22,pos_2_2proton,1074.561074392,UEHILKCNLIKLEV,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis orientalis,594147.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis orientalis'],8,0,8.0 148073,6260,390,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,0.0,MS1_match,UEHILKCNLIKLEV-FMYTYVRISA-N,"InChI=1S/C53H86O22/c1-23-32(57)35(60)39(64)45(70-23)74-42-27(19-54)71-43(41(66)37(42)62)69-21-28-34(59)36(61)40(65)46(72-28)75-47(67)53-16-14-48(2,3)18-25(53)24-8-9-30-49(4)12-11-31(73-44-38(63)33(58)26(56)20-68-44)50(5,22-55)29(49)10-13-52(30,7)51(24,6)15-17-53/h8,23,25-46,54-66H,9-22H2,1-7H3/t23-,25-,26+,27+,28+,29+,30+,31-,32-,33+,34+,35+,36-,37+,38+,39+,40+,41+,42+,43+,44-,45-,46-,49-,50-,51+,52+,53-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C4=CC[C@@H]6[C@@]7(C)CC[C@H](O[C@@H]8OC[C@@H](O)[C@@H](O)[C@H]8O)[C@@](C)(CO)[C@@H]7CC[C@@]6(C)[C@]4(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O,C53H86O22,pos_2_2proton,1074.561074392,UEHILKCNLIKLEV,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis tibetana,972666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tibetana'],8,0,8.0 148074,6260,390,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,0.0,MS1_match,UEHILKCNLIKLEV-LXABABOZSA-N,"InChI=1S/C53H86O22/c1-23-32(57)35(60)39(64)45(70-23)74-42-27(19-54)71-43(41(66)37(42)62)69-21-28-34(59)36(61)40(65)46(72-28)75-47(67)53-16-14-48(2,3)18-25(53)24-8-9-30-49(4)12-11-31(73-44-38(63)33(58)26(56)20-68-44)50(5,22-55)29(49)10-13-52(30,7)51(24,6)15-17-53/h8,23,25-46,54-66H,9-22H2,1-7H3/t23-,25-,26-,27+,28+,29+,30+,31-,32-,33-,34+,35+,36-,37+,38+,39+,40+,41+,42+,43+,44-,45-,46-,49-,50-,51+,52+,53-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C4=CC[C@@H]6[C@@]7(C)CC[C@H](O[C@@H]8OC[C@H](O)[C@H](O)[C@H]8O)[C@@](C)(CO)[C@@H]7CC[C@@]6(C)[C@]4(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O,C53H86O22,pos_2_2proton,1074.561074392,UEHILKCNLIKLEV,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis chinensis,841986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis chinensis'],8,0,8.0 148075,6260,390,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,0.0,MS1_match,GFPLPBCJRRNZHM-ICUGHKHQSA-N,"InChI=1S/C53H86O22/c1-23-32(57)36(61)40(65)44(70-23)74-42-33(58)26(56)20-68-46(42)73-31-11-12-49(4)29(50(31,5)22-55)10-13-52(7)30(49)9-8-24-25-18-48(2,3)14-16-53(25,17-15-51(24,52)6)47(67)75-45-41(66)38(63)35(60)28(72-45)21-69-43-39(64)37(62)34(59)27(19-54)71-43/h8,23,25-46,54-66H,9-22H2,1-7H3/t23-,25-,26-,27+,28+,29+,30+,31-,32-,33-,34+,35+,36+,37-,38-,39+,40+,41+,42+,43+,44-,45-,46-,49-,50-,51+,52+,53-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)CC[C@]6(C(=O)O[C@@H]6O[C@H](CO[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]45C)[C@]3(C)CO)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C53H86O22,pos_2_2proton,1074.5610743920006,GFPLPBCJRRNZHM,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis tibetana,972666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tibetana'],8,0,8.0 148006,6259,582,Terpenoids,Diterpenoids,Estrane steroids,0.6031287,ISDB,NPAGDVCDWIYMMC-IZPLOLCNSA-N,"InChI=1S/C18H26O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,13-17,20H,2-9H2,1H3/t13-,14+,15+,16-,17-,18-/m0/s1",C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@H]43)[C@@H]1CC[C@@H]2O,C18H26O2,,274.193280072,NPAGDVCDWIYMMC,Terpenoids,Steroids,Estrane steroids,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],4,3,7.912514686584473 148005,6254,-1,,,,0.0,MS1_match,WPPWNTIQMVESCF-XEKQUVPHSA-N,"InChI=1S/C41H47NO16/c1-20-15-16-28-27(14-11-17-42-28)38(50)52-18-39(7)29-32(53-23(4)44)35(55-25(6)46)40(19-51-22(3)43)34(57-37(49)26-12-9-8-10-13-26)30(47)31(56-36(20)48)21(2)41(40,58-39)33(29)54-24(5)45/h8-14,17,20-21,29-35,47H,15-16,18-19H2,1-7H3/t20?,21-,29-,30+,31?,32-,33?,34+,35-,39?,40+,41-/m1/s1",CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3C(OC(C)=O)[C@@]14OC3(C)COC(=O)c1cccnc1CCC(C)C(=O)OC([C@H]4C)[C@H](O)[C@@H]2OC(=O)c1ccccc1,C41H47NO16,pos_1_1proton1dmso,809.289484424,WPPWNTIQMVESCF,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Euonymus japonicus,180140.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus japonicus'],7,0,7.0 147995,6251,53,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.22258675,ISDB,CNLCQYMRNGWEJB-OERKHBLVSA-N,"InChI=1S/C13H20O4/c1-9-6-11(16)7-12(2,3)13(9,17)5-4-10(15)8-14/h4-6,10,14-15,17H,7-8H2,1-3H3/b5-4+/t10-,13+/m0/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@H](O)CO,C13H20O4,,240.13615912,CNLCQYMRNGWEJB,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cucumis sativus,1006246.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cucurbitales'],['Cucurbitaceae'],['Benincaseae'],['Cucumis'],['Cucumis sativus'],4,3,6.390347003936768 147996,6251,53,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.22258675,ISDB,CNLCQYMRNGWEJB-OERKHBLVSA-N,"InChI=1S/C13H20O4/c1-9-6-11(16)7-12(2,3)13(9,17)5-4-10(15)8-14/h4-6,10,14-15,17H,7-8H2,1-3H3/b5-4+/t10-,13+/m0/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@H](O)CO,C13H20O4,,240.13615912,CNLCQYMRNGWEJB,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cucumis sativus var. sativus,800021.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cucurbitales'],['Cucurbitaceae'],['Benincaseae'],['Cucumis'],['Cucumis sativus'],4,3,6.390347003936768 147997,6251,53,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.22258675,ISDB,CNLCQYMRNGWEJB-OERKHBLVSA-N,"InChI=1S/C13H20O4/c1-9-6-11(16)7-12(2,3)13(9,17)5-4-10(15)8-14/h4-6,10,14-15,17H,7-8H2,1-3H3/b5-4+/t10-,13+/m0/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@H](O)CO,C13H20O4,,240.13615912,CNLCQYMRNGWEJB,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Brucea javanica,841359.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Simaroubaceae'],['Unknown'],['Brucea'],['Brucea javanica'],4,3,6.390347003936768 147734,6243,-1,,,,0.34206358,ISDB,MEIJIKXWOMTKCH-SDNRFBISSA-N,"InChI=1S/C28H44O3/c1-16(2)17(3)7-8-18(4)20-9-10-21-23-22(12-13-26(20,21)5)27(6)14-11-19(29)15-28(27)25(31-28)24(23)30/h7-8,16-20,22,24-25,29-30H,9-15H2,1-6H3/b8-7+/t17-,18+,19-,20+,22-,24-,25-,26+,27+,28-/m0/s1",CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CCC2=C3[C@H](O)[C@@H]4O[C@@]45C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@@]21C,C28H44O3,,428.329045268,MEIJIKXWOMTKCH,Terpenoids,Steroids,Cholestane steroids,Momordica charantia,955521.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cucurbitales'],['Cucurbitaceae'],['Momordiceae'],['Momordica'],['Momordica charantia'],4,0,5.36825430393219 147732,6241,-1,,,,0.22283155,ISDB,,,,,,,CNAASNXQROGRGE,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.8913261890411377 147727,6239,729,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.43102452,ISDB,GGBVEOSSAOGQGK-BRAKJYLBSA-N,"InChI=1S/C37H38O18/c1-48-20-12-22(41)27-24(13-20)52-31(18-5-7-19(39)8-6-18)32(29(27)44)54-35-33(30(45)28(43)25(14-38)53-35)55-36-34(46)37(47,16-51-36)15-50-26(42)10-4-17-3-9-21(40)23(11-17)49-2/h3-13,25,28,30,33-36,38-41,43,45-47H,14-16H2,1-2H3/b10-4+/t25-,28-,30+,33-,34+,35+,36+,37-/m1/s1",COc1cc(O)c2c(=O)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3OC[C@](O)(COC(=O)/C=C/c4ccc(O)c(OC)c4)[C@H]3O)c(-c3ccc(O)cc3)oc2c1,C37H38O18,,770.205814376,GGBVEOSSAOGQGK,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Phyllolobium chinense,192321.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus complanatus'],4,3,7.224098086357117 147725,6230,201,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,NPDSHTNEKLQQIJ-ZJHFMPGASA-N,"InChI=1S/C18H32O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14,17,19H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-6-,14-11+",CCCCC/C=C\C=C\C(O)CCCCCCCC(=O)O,C18H32O3,pos_2MK,296.235144884,NPDSHTNEKLQQIJ,Fatty acids,Octadecanoids,Other Octadecanoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 147726,6230,201,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,NPDSHTNEKLQQIJ-ZJHFMPGASA-N,"InChI=1S/C18H32O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14,17,19H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-6-,14-11+",CCCCC/C=C\C=C\C(O)CCCCCCCC(=O)O,C18H32O3,pos_2MK,296.235144884,NPDSHTNEKLQQIJ,Fatty acids,Octadecanoids,Other Octadecanoids,Valeriana fauriei,228778.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana fauriei'],6,0,6.0 147592,6228,440,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,0.7261826,ISDB,NPDSHTNEKLQQIJ-ZJHFMPGASA-N,"InChI=1S/C18H32O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14,17,19H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-6-,14-11+",CCCCC/C=C\C=C\C(O)CCCCCCCC(=O)O,C18H32O3,,296.235144884,NPDSHTNEKLQQIJ,Fatty acids,Octadecanoids,Other Octadecanoids,Valeriana fauriei,228778.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana fauriei'],6,1,9.404730319976807 147593,6228,440,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,0.7261826,ISDB,NPDSHTNEKLQQIJ-ZJHFMPGASA-N,"InChI=1S/C18H32O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14,17,19H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-6-,14-11+",CCCCC/C=C\C=C\C(O)CCCCCCCC(=O)O,C18H32O3,,296.235144884,NPDSHTNEKLQQIJ,Fatty acids,Octadecanoids,Other Octadecanoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,1,9.404730319976807 147590,6224,-1,,,,0.0,MS1_match,LSFCBUIGYCTVGI-UHFFFAOYSA-N,"InChI=1S/C26H28O14/c1-9-17(30)20(33)22(35)26(37-9)39-15-8-36-25(21(34)18(15)31)40-24-19(32)16-13(29)6-12(28)7-14(16)38-23(24)10-2-4-11(27)5-3-10/h2-7,9,15,17-18,20-22,25-31,33-35H,8H2,1H3",CC1OC(OC2COC(Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)C(O)C2O)C(O)C(O)C1O,C26H28O14,pos_1_sodium,564.147905576,LSFCBUIGYCTVGI,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euonymus alatus,601141.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus alatus'],7,0,7.0 147582,6223,-1,,,,0.0,MS1_match,IMIAGCONYJPMDY-UHFFFAOYSA-N,"InChI=1S/C36H43NO17/c1-15-16(2)31(44)53-29-26(49-18(4)39)30(52-21(7)42)35(14-47-17(3)38)28(51-20(6)41)25(43)23-27(50-19(5)40)36(35,34(29,9)46)54-33(23,8)13-48-32(45)22-11-10-12-37-24(15)22/h10-12,15-16,23,26-30,46H,13-14H2,1-9H3",CC(=O)OCC12C(OC(C)=O)C(=O)C3C(OC(C)=O)C14OC3(C)COC(=O)c1cccnc1C(C)C(C)C(=O)OC(C(OC(C)=O)C2OC(C)=O)C4(C)O,C36H43NO17,pos_1_sodium,761.253098916,IMIAGCONYJPMDY,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Euonymus nanus,70569.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus nanus'],7,0,7.0 147583,6223,-1,,,,0.0,MS1_match,IMIAGCONYJPMDY-IZJUWVJPSA-N,"InChI=1S/C36H43NO17/c1-15-16(2)31(44)53-29-26(49-18(4)39)30(52-21(7)42)35(14-47-17(3)38)28(51-20(6)41)25(43)23-27(50-19(5)40)36(35,34(29,9)46)54-33(23,8)13-48-32(45)22-11-10-12-37-24(15)22/h10-12,15-16,23,26-30,46H,13-14H2,1-9H3/t15-,16-,23+,26+,27-,28+,29-,30+,33-,34+,35-,36-/m1/s1",CC(=O)OC[C@]12[C@@H](OC(C)=O)C(=O)[C@H]3[C@@H](OC(C)=O)[C@]14O[C@]3(C)COC(=O)c1cccnc1[C@H](C)[C@@H](C)C(=O)O[C@H]([C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@]4(C)O,C36H43NO17,pos_1_sodium,761.253098916,IMIAGCONYJPMDY,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Euonymus sachalinensis,598270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus sachalinensis'],7,0,7.0 147584,6223,-1,,,,0.0,MS1_match,IMIAGCONYJPMDY-DYYRVMIMSA-N,"InChI=1S/C36H43NO17/c1-15-16(2)31(44)53-29-26(49-18(4)39)30(52-21(7)42)35(14-47-17(3)38)28(51-20(6)41)25(43)23-27(50-19(5)40)36(35,34(29,9)46)54-33(23,8)13-48-32(45)22-11-10-12-37-24(15)22/h10-12,15-16,23,26-30,46H,13-14H2,1-9H3/t15-,16-,23+,26-,27+,28+,29-,30-,33-,34-,35+,36-/m0/s1",CC(=O)OC[C@]12[C@H](OC(C)=O)C(=O)[C@@H]3[C@@H](OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1[C@@H](C)[C@H](C)C(=O)O[C@@H]([C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@]4(C)O,C36H43NO17,pos_1_sodium,761.253098916,IMIAGCONYJPMDY,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Euonymus alatus,601141.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus alatus'],7,0,7.0 147585,6223,-1,,,,0.0,MS1_match,IMIAGCONYJPMDY-DYYRVMIMSA-N,"InChI=1S/C36H43NO17/c1-15-16(2)31(44)53-29-26(49-18(4)39)30(52-21(7)42)35(14-47-17(3)38)28(51-20(6)41)25(43)23-27(50-19(5)40)36(35,34(29,9)46)54-33(23,8)13-48-32(45)22-11-10-12-37-24(15)22/h10-12,15-16,23,26-30,46H,13-14H2,1-9H3/t15-,16-,23+,26-,27+,28+,29-,30-,33-,34-,35+,36-/m0/s1",CC(=O)OC[C@]12[C@H](OC(C)=O)C(=O)[C@@H]3[C@@H](OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1[C@@H](C)[C@H](C)C(=O)O[C@@H]([C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@]4(C)O,C36H43NO17,pos_1_sodium,761.253098916,IMIAGCONYJPMDY,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Euonymus europaeus,806632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus europaeus'],7,0,7.0 147586,6223,-1,,,,0.0,MS1_match,QFMYKKJPSVFBKJ-UHFFFAOYSA-N,"InChI=1S/C36H43NO17/c1-16-11-12-23-22(10-9-13-37-23)32(45)48-14-33(7)24-25(43)28(51-20(5)41)35(15-47-17(2)38)30(52-21(6)42)26(49-18(3)39)29(53-31(16)44)34(8,46)36(35,54-33)27(24)50-19(4)40/h9-10,13,16,24,26-30,46H,11-12,14-15H2,1-8H3",CC(=O)OCC12C(OC(C)=O)C(=O)C3C(OC(C)=O)C14OC3(C)COC(=O)c1cccnc1CCC(C)C(=O)OC(C(OC(C)=O)C2OC(C)=O)C4(C)O,C36H43NO17,pos_1_sodium,761.253098916,QFMYKKJPSVFBKJ,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Euonymus europaeus,806632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus europaeus'],7,0,7.0 147587,6223,-1,,,,0.0,MS1_match,QFMYKKJPSVFBKJ-UHFFFAOYSA-N,"InChI=1S/C36H43NO17/c1-16-11-12-23-22(10-9-13-37-23)32(45)48-14-33(7)24-25(43)28(51-20(5)41)35(15-47-17(2)38)30(52-21(6)42)26(49-18(3)39)29(53-31(16)44)34(8,46)36(35,54-33)27(24)50-19(4)40/h9-10,13,16,24,26-30,46H,11-12,14-15H2,1-8H3",CC(=O)OCC12C(OC(C)=O)C(=O)C3C(OC(C)=O)C14OC3(C)COC(=O)c1cccnc1CCC(C)C(=O)OC(C(OC(C)=O)C2OC(C)=O)C4(C)O,C36H43NO17,pos_1_sodium,761.253098916,QFMYKKJPSVFBKJ,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Euonymus nanus,70569.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus nanus'],7,0,7.0 147570,6221,81,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,0.0,MS1_match,ICJMGMIQWBNSNM-QRCQAKELSA-N,"InChI=1S/C42H48N2O18/c1-19-20(2)36(50)60-33-31(57-23(5)47)35(61-37(51)26-12-10-14-43-16-26)41(18-54-21(3)45)34(59-25(7)49)30(56-22(4)46)28-32(58-24(6)48)42(41,40(33,9)53)62-39(28,8)17-55-38(52)27-13-11-15-44-29(19)27/h10-16,19-20,28,30-35,53H,17-18H2,1-9H3/t19-,20+,28-,30-,31+,32-,33+,34-,35+,39+,40+,41-,42+/m1/s1",CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3[C@@H](OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1[C@H](C)[C@H](C)C(=O)O[C@@H]([C@H](OC(C)=O)[C@@H]2OC(=O)c1cccnc1)[C@]4(C)O,C42H48N2O18,pos_1_1proton,868.2902126960001,ICJMGMIQWBNSNM,,,,Euonymus japonicus,180140.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus japonicus'],7,0,7.0 147571,6221,81,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,0.0,MS1_match,ICJMGMIQWBNSNM-QRCQAKELSA-N,"InChI=1S/C42H48N2O18/c1-19-20(2)36(50)60-33-31(57-23(5)47)35(61-37(51)26-12-10-14-43-16-26)41(18-54-21(3)45)34(59-25(7)49)30(56-22(4)46)28-32(58-24(6)48)42(41,40(33,9)53)62-39(28,8)17-55-38(52)27-13-11-15-44-29(19)27/h10-16,19-20,28,30-35,53H,17-18H2,1-9H3/t19-,20+,28-,30-,31+,32-,33+,34-,35+,39+,40+,41-,42+/m1/s1",CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3[C@@H](OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1[C@H](C)[C@H](C)C(=O)O[C@@H]([C@H](OC(C)=O)[C@@H]2OC(=O)c1cccnc1)[C@]4(C)O,C42H48N2O18,pos_1_1proton,868.2902126960001,ICJMGMIQWBNSNM,,,,Euonymus japonicus,180140.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus japonicus'],7,0,7.0 147568,6220,424,,,,0.5748807,ISDB,XBIPNCBYIRUADC-GRIDYHOASA-N,"InChI=1S/C50H88N8O12/c1-27(2)18-16-14-13-15-17-19-33-25-40(60)52-34(20-21-39(51)59)44(63)53-35(22-28(3)4)45(64)54-36(23-29(5)6)47(66)57-42(31(9)10)49(68)56-38(26-41(61)62)46(65)55-37(24-30(7)8)48(67)58-43(32(11)12)50(69)70-33/h27-38,42-43H,13-26H2,1-12H3,(H2,51,59)(H,52,60)(H,53,63)(H,54,64)(H,55,65)(H,56,68)(H,57,66)(H,58,67)(H,61,62)/t33-,34+,35+,36-,37+,38+,42+,43+/m1/s1",CC(C)CCCCCCC[C@@H]1CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)O1,C50H88N8O12,,992.652170256,XBIPNCBYIRUADC,,,,Bacillus licheniformis,37595.0,['Bacteria'],['Unknown'],['Firmicutes'],['Bacilli'],['Bacillales'],['Bacillaceae'],['Unknown'],['Bacillus'],['Bacillus licheniformis'],0,0,2.299522876739502 147498,6217,7,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.40969938,ISDB,QOCBLJWPUILPNE-DGDOQUKGSA-N,"InChI=1S/C40H54O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(43-40)28-39(40,10)42/h11-20,23-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39-,40-/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]23O[C@@H](CC2(C)C)C[C@@]3(C)O)C(C)(C)C[C@H](O)C1,C40H54O3,,582.407295588,QOCBLJWPUILPNE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Corbicula sandai,920655.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Bivalvia'],['Venerida'],['Cyrenidae'],['Unknown'],['Corbicula'],['Corbicula sandai'],1,3,4.1387975215911865 147499,6217,7,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.40969938,ISDB,QOCBLJWPUILPNE-DGDOQUKGSA-N,"InChI=1S/C40H54O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(43-40)28-39(40,10)42/h11-20,23-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39-,40-/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]23O[C@@H](CC2(C)C)C[C@@]3(C)O)C(C)(C)C[C@H](O)C1,C40H54O3,,582.407295588,QOCBLJWPUILPNE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Corbicula japonica,920654.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Bivalvia'],['Venerida'],['Cyrenidae'],['Unknown'],['Corbicula'],['Corbicula japonica'],1,3,4.1387975215911865 147500,6217,7,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.40969938,ISDB,QOCBLJWPUILPNE-DGDOQUKGSA-N,"InChI=1S/C40H54O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(43-40)28-39(40,10)42/h11-20,23-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39-,40-/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]23O[C@@H](CC2(C)C)C[C@@]3(C)O)C(C)(C)C[C@H](O)C1,C40H54O3,,582.407295588,QOCBLJWPUILPNE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Crassostrea gigas,987409.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Bivalvia'],['Ostreida'],['Ostreidae'],['Unknown'],['Magallana'],['Magallana gigas'],1,3,4.1387975215911865 147501,6217,7,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.40969938,ISDB,QOCBLJWPUILPNE-DGDOQUKGSA-N,"InChI=1S/C40H54O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(43-40)28-39(40,10)42/h11-20,23-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39-,40-/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]23O[C@@H](CC2(C)C)C[C@@]3(C)O)C(C)(C)C[C@H](O)C1,C40H54O3,,582.407295588,QOCBLJWPUILPNE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Magallana gigas,987409.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Bivalvia'],['Ostreida'],['Ostreidae'],['Unknown'],['Magallana'],['Magallana gigas'],1,3,4.1387975215911865 147494,6214,806,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,0.0,MS1_match,ZIJTXZAMPUCYSG-HFOQERPQSA-N,"InChI=1S/C29H34O12/c1-15(30)37-20-14-27(5,34)29-22(40-25(33)19-10-8-12-36-19)17(26(3,4)41-29)13-21(28(29,6)23(20)38-16(2)31)39-24(32)18-9-7-11-35-18/h7-12,17,20-23,34H,13-14H2,1-6H3/t17-,20+,21+,22-,23+,27+,28-,29+/m1/s1",CC(=O)O[C@H]1C[C@](C)(O)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)c4ccco4)[C@]2(C)[C@H]1OC(C)=O)[C@H]3OC(=O)c1ccco1,C29H34O12,pos_1_1proton1ammonium,574.205026528,ZIJTXZAMPUCYSG,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Monteverdia cuzcoina,6092941.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Monteverdia'],['Monteverdia cuzcoina'],6,3,7.5 147495,6214,806,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,0.0,MS1_match,DYAWIECXRLDDTM-ALCSWTQMSA-N,"InChI=1S/C29H34O12/c1-15(30)37-19-7-10-27(5,34)29-22(39-24(32)17-8-11-35-13-17)20(26(3,4)41-29)21(38-16(2)31)23(28(19,29)6)40-25(33)18-9-12-36-14-18/h8-9,11-14,19-23,34H,7,10H2,1-6H3/t19-,20+,21-,22-,23+,27+,28-,29-/m0/s1",CC(=O)O[C@H]1[C@@H]2[C@H](OC(=O)c3ccoc3)[C@@]3(OC2(C)C)[C@@](C)([C@@H](OC(C)=O)CC[C@@]3(C)O)[C@@H]1OC(=O)c1ccoc1,C29H34O12,pos_1_1proton1ammonium,574.205026528,DYAWIECXRLDDTM,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Maytenus boaria,418513.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Maytenus'],['Maytenus boaria'],6,3,7.5 147496,6214,806,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,0.0,MS1_match,RPUCXGXPWYXBOD-UHFFFAOYSA-N,"InChI=1S/C29H37NO12/c1-15(31)37-14-28-22(41-25(35)19-9-8-10-30-13-19)11-20-23(39-17(3)33)29(28,42-26(20,5)6)27(7,36)12-21(38-16(2)32)24(28)40-18(4)34/h8-10,13,20-24,36H,11-12,14H2,1-7H3",CC(=O)OCC12C(OC(=O)c3cccnc3)CC3C(OC(C)=O)C1(OC3(C)C)C(C)(O)CC(OC(C)=O)C2OC(C)=O,C29H37NO12,pos_1_1proton,591.231575624,RPUCXGXPWYXBOD,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Gymnosporia ovata,6092769.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Gymnosporia'],['Gymnosporia ovata'],6,3,7.5 147474,6211,1152,Fatty acids,Fatty esters,Wax monoesters,0.0,MS1_match,SNXPWYFWAZVIAU-UHFFFAOYSA-N,"InChI=1S/C22H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24-4-2/h8-9,11-12,14-15,17-18H,3-7,10,13,16,19-21H2,1-2H3",CCCCCC=CCC=CCC=CCC=CCCCC(=O)OCC,C22H36O2,pos_2_2proton,332.271530392,SNXPWYFWAZVIAU,Fatty acids,Fatty esters,Wax monoesters,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,3,7.5 147468,6209,79,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,QEYACURRVKYESS-UHFFFAOYSA-N,"InChI=1S/C21H24NO4/c1-22-11-10-16-17(13-19(24-3)21(26-5)20(16)25-4)18(22)12-14-6-8-15(23-2)9-7-14/h6-11,13H,12H2,1-5H3/q+1",COc1ccc(Cc2c3cc(OC)c(OC)c(OC)c3cc[n+]2C)cc1,C21H24NO4+,pos_1_1proton1acetonitrile,354.16998466809,QEYACURRVKYESS,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Thalictrum minus,491705.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum minus'],6,0,6.0 147469,6209,79,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,AZGCZIGARDCCNC-UHFFFAOYSA-N,"InChI=1S/C21H24NO4/c1-22-11-10-15-13-18(24-3)20(25-4)21(26-5)19(15)17(22)12-14-6-8-16(23-2)9-7-14/h6-11,13H,12H2,1-5H3/q+1",COc1ccc(Cc2c3c(=[O+]C)c(OC)c(OC)cc-3ccn2C)cc1,C21H24NO4+,pos_1_1proton1acetonitrile,354.1699846680899,AZGCZIGARDCCNC,Alkaloids,Histidine alkaloids,,Thalictrum minus,491705.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum minus'],6,0,6.0 147470,6209,79,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,KKZYXZUXNZXFFZ-HNNXBMFYSA-N,"InChI=1S/C21H24NO4/c1-22(2)6-5-12-8-18(23-3)21(24-4)20-14-10-17-16(25-11-26-17)9-13(14)7-15(22)19(12)20/h8-10,15H,5-7,11H2,1-4H3/q+1/t15-/m0/s1",COc1cc2c3c(c1OC)-c1cc4c(cc1C[C@@H]3[N+](C)(C)CC2)OCO4,C21H24NO4+,pos_1_1proton1acetonitrile,354.16998466809,KKZYXZUXNZXFFZ,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Thalictrum przewalskii,782787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum przewalskii'],6,0,6.0 147471,6209,79,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,IPABSWBNWMXCHM-LBOXEOMUSA-N,"InChI=1S/C21H24NO4/c1-22-7-6-14-9-19-20(26-12-25-19)10-15(14)17(22)8-13-4-5-18(23-2)21(24-3)16(13)11-22/h4-5,9-10,17H,6-8,11-12H2,1-3H3/q+1/t17-,22?/m0/s1",COc1ccc2c(c1OC)C[N+]1(C)CCc3cc4c(cc3[C@@H]1C2)OCO4,C21H24NO4+,pos_1_1proton1acetonitrile,354.16998466809,IPABSWBNWMXCHM,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Thalictrum minus,491705.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum minus'],6,0,6.0 147472,6209,79,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,IPABSWBNWMXCHM-LBOXEOMUSA-N,"InChI=1S/C21H24NO4/c1-22-7-6-14-9-19-20(26-12-25-19)10-15(14)17(22)8-13-4-5-18(23-2)21(24-3)16(13)11-22/h4-5,9-10,17H,6-8,11-12H2,1-3H3/q+1/t17-,22?/m0/s1",COc1ccc2c(c1OC)C[N+]1(C)CCc3cc4c(cc3[C@@H]1C2)OCO4,C21H24NO4+,pos_1_1proton1acetonitrile,354.16998466809,IPABSWBNWMXCHM,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Thalictrum minus,491705.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum minus'],6,0,6.0 147452,6206,81,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,0.0,MS1_match,VZNBBVMTJYKZLE-VNSUZFEMSA-N,"InChI=1S/C36H45NO17/c1-10-17(2)31(44)53-29-26(49-19(4)39)30(52-22(7)42)35(16-47-18(3)38)28(51-21(6)41)25(43)24-27(50-20(5)40)36(35,34(29,9)46)54-33(24,8)15-48-32(45)23-12-11-13-37-14-23/h11-14,17,24,26-30,46H,10,15-16H2,1-9H3/t17-,24-,26+,27-,28-,29+,30+,33+,34+,35-,36+/m1/s1",CC[C@@H](C)C(=O)O[C@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]2(COC(C)=O)[C@H](OC(C)=O)C(=O)[C@@H]3[C@@H](OC(C)=O)[C@]2(O[C@@]3(C)COC(=O)c2cccnc2)[C@@]1(C)O,C36H45NO17,pos_1_1proton,763.26874898,VZNBBVMTJYKZLE,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Tripterygium wilfordii,300831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium wilfordii'],6,3,7.5 147463,6206,81,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,0.0,MS1_match,VCRRHFSJEWAFJW-NTYBQZHASA-N,"InChI=1S/C36H45NO17/c1-16-11-12-23-22(10-9-13-37-23)32(45)48-14-33(7)24-25(49-18(3)39)29(51-20(5)41)35(15-47-17(2)38)30(52-21(6)42)26(50-19(4)40)28(53-31(16)44)34(8,46)36(35,54-33)27(24)43/h9-10,13,16,24-30,43,46H,11-12,14-15H2,1-8H3/t16-,24+,25+,26-,27-,28-,29+,30-,33+,34+,35+,36-/m0/s1",CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3[C@H](O)[C@@]14O[C@]3(C)COC(=O)c1cccnc1CC[C@H](C)C(=O)O[C@@H]([C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@@]4(C)O,C36H45NO17,pos_1_1proton,763.26874898,VCRRHFSJEWAFJW,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Tripterygium wilfordii,300831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium wilfordii'],6,3,7.5 147448,6205,475,,,,0.48964885,ISDB,,,,,,,CETJCAVHXCTDSZ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.9585953950881958 147440,6204,81,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,0.0,MS1_match,IMIAGCONYJPMDY-UHFFFAOYSA-N,"InChI=1S/C36H43NO17/c1-15-16(2)31(44)53-29-26(49-18(4)39)30(52-21(7)42)35(14-47-17(3)38)28(51-20(6)41)25(43)23-27(50-19(5)40)36(35,34(29,9)46)54-33(23,8)13-48-32(45)22-11-10-12-37-24(15)22/h10-12,15-16,23,26-30,46H,13-14H2,1-9H3",CC(=O)OCC12C(OC(C)=O)C(=O)C3C(OC(C)=O)C14OC3(C)COC(=O)c1cccnc1C(C)C(C)C(=O)OC(C(OC(C)=O)C2OC(C)=O)C4(C)O,C36H43NO17,pos_1_1proton,761.253098916,IMIAGCONYJPMDY,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Euonymus nanus,70569.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus nanus'],7,0,7.0 147441,6204,81,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,0.0,MS1_match,IMIAGCONYJPMDY-IZJUWVJPSA-N,"InChI=1S/C36H43NO17/c1-15-16(2)31(44)53-29-26(49-18(4)39)30(52-21(7)42)35(14-47-17(3)38)28(51-20(6)41)25(43)23-27(50-19(5)40)36(35,34(29,9)46)54-33(23,8)13-48-32(45)22-11-10-12-37-24(15)22/h10-12,15-16,23,26-30,46H,13-14H2,1-9H3/t15-,16-,23+,26+,27-,28+,29-,30+,33-,34+,35-,36-/m1/s1",CC(=O)OC[C@]12[C@@H](OC(C)=O)C(=O)[C@H]3[C@@H](OC(C)=O)[C@]14O[C@]3(C)COC(=O)c1cccnc1[C@H](C)[C@@H](C)C(=O)O[C@H]([C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@]4(C)O,C36H43NO17,pos_1_1proton,761.253098916,IMIAGCONYJPMDY,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Euonymus sachalinensis,598270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus sachalinensis'],7,0,7.0 147442,6204,81,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,0.0,MS1_match,IMIAGCONYJPMDY-DYYRVMIMSA-N,"InChI=1S/C36H43NO17/c1-15-16(2)31(44)53-29-26(49-18(4)39)30(52-21(7)42)35(14-47-17(3)38)28(51-20(6)41)25(43)23-27(50-19(5)40)36(35,34(29,9)46)54-33(23,8)13-48-32(45)22-11-10-12-37-24(15)22/h10-12,15-16,23,26-30,46H,13-14H2,1-9H3/t15-,16-,23+,26-,27+,28+,29-,30-,33-,34-,35+,36-/m0/s1",CC(=O)OC[C@]12[C@H](OC(C)=O)C(=O)[C@@H]3[C@@H](OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1[C@@H](C)[C@H](C)C(=O)O[C@@H]([C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@]4(C)O,C36H43NO17,pos_1_1proton,761.253098916,IMIAGCONYJPMDY,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Euonymus alatus,601141.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus alatus'],7,0,7.0 147443,6204,81,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,0.0,MS1_match,IMIAGCONYJPMDY-DYYRVMIMSA-N,"InChI=1S/C36H43NO17/c1-15-16(2)31(44)53-29-26(49-18(4)39)30(52-21(7)42)35(14-47-17(3)38)28(51-20(6)41)25(43)23-27(50-19(5)40)36(35,34(29,9)46)54-33(23,8)13-48-32(45)22-11-10-12-37-24(15)22/h10-12,15-16,23,26-30,46H,13-14H2,1-9H3/t15-,16-,23+,26-,27+,28+,29-,30-,33-,34-,35+,36-/m0/s1",CC(=O)OC[C@]12[C@H](OC(C)=O)C(=O)[C@@H]3[C@@H](OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1[C@@H](C)[C@H](C)C(=O)O[C@@H]([C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@]4(C)O,C36H43NO17,pos_1_1proton,761.253098916,IMIAGCONYJPMDY,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Euonymus europaeus,806632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus europaeus'],7,0,7.0 147444,6204,81,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,0.0,MS1_match,QFMYKKJPSVFBKJ-UHFFFAOYSA-N,"InChI=1S/C36H43NO17/c1-16-11-12-23-22(10-9-13-37-23)32(45)48-14-33(7)24-25(43)28(51-20(5)41)35(15-47-17(2)38)30(52-21(6)42)26(49-18(3)39)29(53-31(16)44)34(8,46)36(35,54-33)27(24)50-19(4)40/h9-10,13,16,24,26-30,46H,11-12,14-15H2,1-8H3",CC(=O)OCC12C(OC(C)=O)C(=O)C3C(OC(C)=O)C14OC3(C)COC(=O)c1cccnc1CCC(C)C(=O)OC(C(OC(C)=O)C2OC(C)=O)C4(C)O,C36H43NO17,pos_1_1proton,761.253098916,QFMYKKJPSVFBKJ,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Euonymus europaeus,806632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus europaeus'],7,0,7.0 147445,6204,81,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,0.0,MS1_match,QFMYKKJPSVFBKJ-UHFFFAOYSA-N,"InChI=1S/C36H43NO17/c1-16-11-12-23-22(10-9-13-37-23)32(45)48-14-33(7)24-25(43)28(51-20(5)41)35(15-47-17(2)38)30(52-21(6)42)26(49-18(3)39)29(53-31(16)44)34(8,46)36(35,54-33)27(24)50-19(4)40/h9-10,13,16,24,26-30,46H,11-12,14-15H2,1-8H3",CC(=O)OCC12C(OC(C)=O)C(=O)C3C(OC(C)=O)C14OC3(C)COC(=O)c1cccnc1CCC(C)C(=O)OC(C(OC(C)=O)C2OC(C)=O)C4(C)O,C36H43NO17,pos_1_1proton,761.253098916,QFMYKKJPSVFBKJ,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Euonymus nanus,70569.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus nanus'],7,0,7.0 147439,6203,81,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,0.0,MS1_match,SGYXRITWGDMMSS-OUWJXSMFSA-N,"InChI=1S/C38H47NO17/c1-17-12-13-26-25(11-10-14-39-26)35(47)49-15-36(9)27-29(50-20(4)41)32(53-23(7)44)37(16-48-19(3)40)33(54-24(8)45)30(51-21(5)42)28(55-34(17)46)18(2)38(37,56-36)31(27)52-22(6)43/h10-11,14,17-18,27-33H,12-13,15-16H2,1-9H3/t17-,18+,27-,28-,29-,30+,31+,32+,33+,36-,37+,38-/m0/s1",CC(=O)OC[C@@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(=O)[C@@H](C)CCc4ncccc4C(=O)OC[C@]4(C)O[C@@]1([C@@H]3C)[C@H](OC(C)=O)[C@@H]4[C@H](OC(C)=O)[C@H]2OC(C)=O,C38H47NO17,pos_1_sodium,789.284399044,SGYXRITWGDMMSS,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Euonymus alatus,601141.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus alatus'],7,3,8.5 147434,6202,-1,,,,0.0,MS1_match,LISHAQDJMDPPOF-TVUKNPRMSA-N,"InChI=1S/C34H39NO12/c1-19(36)42-18-33-24(43-20(2)37)14-15-32(6,41)34(33)27(44-21(3)38)25(31(4,5)47-34)26(45-29(39)22-11-8-7-9-12-22)28(33)46-30(40)23-13-10-16-35-17-23/h7-13,16-17,24-28,41H,14-15,18H2,1-6H3/t24-,25+,26+,27+,28+,32-,33-,34-/m0/s1",CC(=O)OC[C@@]12[C@@H](OC(C)=O)CC[C@](C)(O)[C@]13OC(C)(C)[C@H]([C@@H](OC(=O)c1ccccc1)[C@H]2OC(=O)c1cccnc1)[C@H]3OC(C)=O,C34H39NO12,pos_1_sodium,653.247225688,LISHAQDJMDPPOF,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Tripterygium wilfordii,300831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium wilfordii'],6,0,6.0 147435,6202,-1,,,,0.0,MS1_match,BBAGKYDYEJAAKK-LTVCKWSDSA-N,"InChI=1S/C34H39NO12/c1-18-15-24(43-20(3)37)27(39)33(17-42-19(2)36)29(46-30(40)22-11-8-7-9-12-22)26(45-31(41)23-13-10-14-35-16-23)25-28(44-21(4)38)34(18,33)47-32(25,5)6/h7-14,16,18,24-29,39H,15,17H2,1-6H3/t18-,24+,25-,26-,27+,28-,29-,33+,34-/m1/s1",CC(=O)OC[C@]12[C@H](OC(=O)c3ccccc3)[C@H](OC(=O)c3cccnc3)[C@@H]3[C@@H](OC(C)=O)[C@]1(OC3(C)C)[C@H](C)C[C@H](OC(C)=O)[C@@H]2O,C34H39NO12,pos_1_sodium,653.247225688,BBAGKYDYEJAAKK,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Celastrus angulatus,709269.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Celastrus'],['Celastrus angulatus'],6,0,6.0 147436,6202,-1,,,,0.0,MS1_match,OSWYHQBZDXCTCZ-TVUKNPRMSA-N,"InChI=1S/C34H39NO12/c1-19(36)42-18-33-24(45-30(40)23-13-10-16-35-17-23)14-15-32(6,41)34(33)27(44-21(3)38)25(31(4,5)47-34)26(43-20(2)37)28(33)46-29(39)22-11-8-7-9-12-22/h7-13,16-17,24-28,41H,14-15,18H2,1-6H3/t24-,25+,26+,27+,28+,32-,33-,34-/m0/s1",CC(=O)OC[C@@]12[C@@H](OC(=O)c3cccnc3)CC[C@](C)(O)[C@]13OC(C)(C)[C@H]([C@@H](OC(C)=O)[C@H]2OC(=O)c1ccccc1)[C@H]3OC(C)=O,C34H39NO12,pos_1_sodium,653.247225688,OSWYHQBZDXCTCZ,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Tripterygium wilfordii,300831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium wilfordii'],6,0,6.0 147437,6202,-1,,,,0.0,MS1_match,OSWYHQBZDXCTCZ-TVUKNPRMSA-N,"InChI=1S/C34H39NO12/c1-19(36)42-18-33-24(45-30(40)23-13-10-16-35-17-23)14-15-32(6,41)34(33)27(44-21(3)38)25(31(4,5)47-34)26(43-20(2)37)28(33)46-29(39)22-11-8-7-9-12-22/h7-13,16-17,24-28,41H,14-15,18H2,1-6H3/t24-,25+,26+,27+,28+,32-,33-,34-/m0/s1",CC(=O)OC[C@@]12[C@@H](OC(=O)c3cccnc3)CC[C@](C)(O)[C@]13OC(C)(C)[C@H]([C@@H](OC(C)=O)[C@H]2OC(=O)c1ccccc1)[C@H]3OC(C)=O,C34H39NO12,pos_1_sodium,653.247225688,OSWYHQBZDXCTCZ,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Tripterygium regelii,483028.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium regelii'],6,0,6.0 147438,6202,-1,,,,0.0,MS1_match,YDMQFVLNJYKGRK-DPWNUWMNSA-N,"InChI=1S/C34H39NO12/c1-19(36)42-18-33-26(45-29(39)22-11-8-7-9-12-22)15-24-27(44-21(3)38)34(33,47-31(24,4)5)32(6,41)16-25(43-20(2)37)28(33)46-30(40)23-13-10-14-35-17-23/h7-14,17,24-28,41H,15-16,18H2,1-6H3/t24-,25+,26+,27-,28+,32+,33-,34+/m1/s1",CC(=O)OC[C@]12[C@@H](OC(=O)c3ccccc3)C[C@@H]3[C@@H](OC(C)=O)[C@]1(OC3(C)C)[C@@](C)(O)C[C@H](OC(C)=O)[C@@H]2OC(=O)c1cccnc1,C34H39NO12,pos_1_sodium,653.247225688,YDMQFVLNJYKGRK,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Celastrus angulatus,709269.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Celastrus'],['Celastrus angulatus'],6,0,6.0 147433,6201,416,,,,0.3031313,ISDB,,,,,,,PGYLYGLYGRZSNC,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.2125252485275269 147431,6198,-1,,,,0.0,MS1_match,YLPWIVXPAOTLTE-MDUHTVMBSA-N,"InChI=1S/C25H34O12/c1-11-9-17(33-13(3)27)20(34-14(4)28)24(10-32-12(2)26)22(36-16(6)30)19(31)18-21(35-15(5)29)25(11,24)37-23(18,7)8/h11,17-18,20-22H,9-10H2,1-8H3/t11-,17+,18-,20+,21-,22-,24+,25-/m1/s1",CC(=O)OC[C@]12[C@H](OC(C)=O)C(=O)[C@@H]3[C@@H](OC(C)=O)[C@]1(OC3(C)C)[C@H](C)C[C@H](OC(C)=O)[C@@H]2OC(C)=O,C25H34O12,pos_1_1sodium1acetonitrile,526.2050265279998,YLPWIVXPAOTLTE,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Zinowiewia integerrima,470269.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Zinowiewia'],['Zinowiewia costaricensis'],6,0,6.0 147432,6198,-1,,,,0.0,MS1_match,YLPWIVXPAOTLTE-MDUHTVMBSA-N,"InChI=1S/C25H34O12/c1-11-9-17(33-13(3)27)20(34-14(4)28)24(10-32-12(2)26)22(36-16(6)30)19(31)18-21(35-15(5)29)25(11,24)37-23(18,7)8/h11,17-18,20-22H,9-10H2,1-8H3/t11-,17+,18-,20+,21-,22-,24+,25-/m1/s1",CC(=O)OC[C@]12[C@H](OC(C)=O)C(=O)[C@@H]3[C@@H](OC(C)=O)[C@]1(OC3(C)C)[C@H](C)C[C@H](OC(C)=O)[C@@H]2OC(C)=O,C25H34O12,pos_1_1sodium1acetonitrile,526.2050265279998,YLPWIVXPAOTLTE,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Zinowiewia costaricensis,470269.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Zinowiewia'],['Zinowiewia costaricensis'],6,0,6.0 147429,6195,-1,,,,0.0,MS1_match,HIZXOIDYACHULC-MOTSPOBHSA-N,"InChI=1S/C36H43NO16/c1-15-16(2)32(44)52-27-17(3)36-29(49-20(6)40)24(34(9,53-36)13-47-33(45)23-11-10-12-37-25(15)23)26(43)30(50-21(7)41)35(36,14-46-18(4)38)31(51-22(8)42)28(27)48-19(5)39/h10-12,15-17,24,27-31H,13-14H2,1-9H3/t15-,16-,17+,24?,27+,28+,29+,30+,31+,34+,35-,36+/m0/s1",CC(=O)OC[C@@]12[C@H](OC(C)=O)C(=O)C3[C@@H](OC(C)=O)[C@@]14O[C@]3(C)COC(=O)c1cccnc1[C@@H](C)[C@H](C)C(=O)O[C@@H]([C@@H](OC(C)=O)[C@H]2OC(C)=O)[C@H]4C,C36H43NO16,pos_1_sodium,745.258184296,HIZXOIDYACHULC,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Euonymus sachalinensis,598270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus sachalinensis'],7,0,7.0 147430,6195,-1,,,,0.0,MS1_match,DHLFYSNOCHUPMP-ZIBOQDOISA-N,"InChI=1S/C34H40O16/c1-16-26(45-18(3)36)27(46-19(4)37)30(49-22(7)40)33(15-43-17(2)35)29(48-21(6)39)25(41)24-28(47-20(5)38)34(16,33)50-32(24,8)14-44-31(42)23-12-10-9-11-13-23/h9-13,16,24,26-30H,14-15H2,1-8H3/t16-,24-,26-,27+,28-,29-,30+,32+,33-,34-/m1/s1",CC(=O)OC[C@]12[C@H](OC(C)=O)C(=O)[C@@H]3[C@@H](OC(C)=O)[C@]1(O[C@@]3(C)COC(=O)c1ccccc1)[C@H](C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O,C34H40O16,pos_1_1sodium1acetonitrile,704.2316352,DHLFYSNOCHUPMP,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Euonymus sachalinensis,598270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus sachalinensis'],7,0,7.0 147364,6194,94,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.6453372,ISDB,SBLKVIQSIHEQOF-UHFFFAOYSA-N,"InChI=1S/C18H32O4/c19-17(20)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(21)22/h1-2H,3-16H2,(H,19,20)(H,21,22)",O=C(O)CCCCCCCC=CCCCCCCCC(=O)O,C18H32O4,,312.230059504,SBLKVIQSIHEQOF,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],4,2,7.581348896026611 147362,6190,-1,,,,0.0,MS1_match,JJUCBHSRJQINGH-YGUDKLPYSA-N,"InChI=1S/C14H24O4/c1-12(2)8-6-10(16)13(3)11(17)9(15)4-5-14(13,7-8)18-12/h8-11,15-17H,4-7H2,1-3H3/t8-,9+,10+,11+,13-,14-/m1/s1",CC1(C)O[C@@]23CC[C@H](O)[C@H](O)[C@@]2(C)[C@@H](O)C[C@@H]1C3,C14H24O4,pos_1_sodium,256.167459248,JJUCBHSRJQINGH,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Celastrus hypoleucus,1019456.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Celastrus'],['Celastrus hypoleucus'],6,0,6.0 147354,6189,-1,,,,0.0,MS1_match,IMIAGCONYJPMDY-UHFFFAOYSA-N,"InChI=1S/C36H43NO17/c1-15-16(2)31(44)53-29-26(49-18(4)39)30(52-21(7)42)35(14-47-17(3)38)28(51-20(6)41)25(43)23-27(50-19(5)40)36(35,34(29,9)46)54-33(23,8)13-48-32(45)22-11-10-12-37-24(15)22/h10-12,15-16,23,26-30,46H,13-14H2,1-9H3",CC(=O)OCC12C(OC(C)=O)C(=O)C3C(OC(C)=O)C14OC3(C)COC(=O)c1cccnc1C(C)C(C)C(=O)OC(C(OC(C)=O)C2OC(C)=O)C4(C)O,C36H43NO17,pos_1_sodium,761.253098916,IMIAGCONYJPMDY,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Euonymus nanus,70569.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus nanus'],7,0,7.0 147355,6189,-1,,,,0.0,MS1_match,IMIAGCONYJPMDY-IZJUWVJPSA-N,"InChI=1S/C36H43NO17/c1-15-16(2)31(44)53-29-26(49-18(4)39)30(52-21(7)42)35(14-47-17(3)38)28(51-20(6)41)25(43)23-27(50-19(5)40)36(35,34(29,9)46)54-33(23,8)13-48-32(45)22-11-10-12-37-24(15)22/h10-12,15-16,23,26-30,46H,13-14H2,1-9H3/t15-,16-,23+,26+,27-,28+,29-,30+,33-,34+,35-,36-/m1/s1",CC(=O)OC[C@]12[C@@H](OC(C)=O)C(=O)[C@H]3[C@@H](OC(C)=O)[C@]14O[C@]3(C)COC(=O)c1cccnc1[C@H](C)[C@@H](C)C(=O)O[C@H]([C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@]4(C)O,C36H43NO17,pos_1_sodium,761.253098916,IMIAGCONYJPMDY,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Euonymus sachalinensis,598270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus sachalinensis'],7,0,7.0 147356,6189,-1,,,,0.0,MS1_match,IMIAGCONYJPMDY-DYYRVMIMSA-N,"InChI=1S/C36H43NO17/c1-15-16(2)31(44)53-29-26(49-18(4)39)30(52-21(7)42)35(14-47-17(3)38)28(51-20(6)41)25(43)23-27(50-19(5)40)36(35,34(29,9)46)54-33(23,8)13-48-32(45)22-11-10-12-37-24(15)22/h10-12,15-16,23,26-30,46H,13-14H2,1-9H3/t15-,16-,23+,26-,27+,28+,29-,30-,33-,34-,35+,36-/m0/s1",CC(=O)OC[C@]12[C@H](OC(C)=O)C(=O)[C@@H]3[C@@H](OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1[C@@H](C)[C@H](C)C(=O)O[C@@H]([C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@]4(C)O,C36H43NO17,pos_1_sodium,761.253098916,IMIAGCONYJPMDY,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Euonymus alatus,601141.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus alatus'],7,0,7.0 147357,6189,-1,,,,0.0,MS1_match,IMIAGCONYJPMDY-DYYRVMIMSA-N,"InChI=1S/C36H43NO17/c1-15-16(2)31(44)53-29-26(49-18(4)39)30(52-21(7)42)35(14-47-17(3)38)28(51-20(6)41)25(43)23-27(50-19(5)40)36(35,34(29,9)46)54-33(23,8)13-48-32(45)22-11-10-12-37-24(15)22/h10-12,15-16,23,26-30,46H,13-14H2,1-9H3/t15-,16-,23+,26-,27+,28+,29-,30-,33-,34-,35+,36-/m0/s1",CC(=O)OC[C@]12[C@H](OC(C)=O)C(=O)[C@@H]3[C@@H](OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1[C@@H](C)[C@H](C)C(=O)O[C@@H]([C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@]4(C)O,C36H43NO17,pos_1_sodium,761.253098916,IMIAGCONYJPMDY,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Euonymus europaeus,806632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus europaeus'],7,0,7.0 147358,6189,-1,,,,0.0,MS1_match,QFMYKKJPSVFBKJ-UHFFFAOYSA-N,"InChI=1S/C36H43NO17/c1-16-11-12-23-22(10-9-13-37-23)32(45)48-14-33(7)24-25(43)28(51-20(5)41)35(15-47-17(2)38)30(52-21(6)42)26(49-18(3)39)29(53-31(16)44)34(8,46)36(35,54-33)27(24)50-19(4)40/h9-10,13,16,24,26-30,46H,11-12,14-15H2,1-8H3",CC(=O)OCC12C(OC(C)=O)C(=O)C3C(OC(C)=O)C14OC3(C)COC(=O)c1cccnc1CCC(C)C(=O)OC(C(OC(C)=O)C2OC(C)=O)C4(C)O,C36H43NO17,pos_1_sodium,761.253098916,QFMYKKJPSVFBKJ,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Euonymus europaeus,806632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus europaeus'],7,0,7.0 147359,6189,-1,,,,0.0,MS1_match,QFMYKKJPSVFBKJ-UHFFFAOYSA-N,"InChI=1S/C36H43NO17/c1-16-11-12-23-22(10-9-13-37-23)32(45)48-14-33(7)24-25(43)28(51-20(5)41)35(15-47-17(2)38)30(52-21(6)42)26(49-18(3)39)29(53-31(16)44)34(8,46)36(35,54-33)27(24)50-19(4)40/h9-10,13,16,24,26-30,46H,11-12,14-15H2,1-8H3",CC(=O)OCC12C(OC(C)=O)C(=O)C3C(OC(C)=O)C14OC3(C)COC(=O)c1cccnc1CCC(C)C(=O)OC(C(OC(C)=O)C2OC(C)=O)C4(C)O,C36H43NO17,pos_1_sodium,761.253098916,QFMYKKJPSVFBKJ,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Euonymus nanus,70569.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus nanus'],7,0,7.0 147319,6188,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-PNQZTZQXSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14+,16-/m0/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1C[C@](O)(C(=O)O)C[C@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera bournei,5746380.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera bournei'],7,3,8.5 147320,6188,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton1ammonium,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 147321,6188,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton1ammonium,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera macrantha,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 147322,6188,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton1ammonium,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera fulvotomentosa,650610.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera fulvotomentosa'],7,3,8.5 147323,6188,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton1ammonium,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera confusa,594829.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera confusa'],7,3,8.5 147324,6188,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton1ammonium,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera dasystyla,960340.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera dasystyla'],7,3,8.5 147325,6188,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton1ammonium,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera similis,960338.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera similis'],7,3,8.5 147326,6188,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton1ammonium,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera similis,960338.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera similis'],7,3,8.5 147327,6188,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton1ammonium,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera dasystyla,960340.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera dasystyla'],7,3,8.5 147328,6188,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton1ammonium,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera confusa,594829.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera confusa'],7,3,8.5 147329,6188,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton1ammonium,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera fulvotomentosa,650610.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera fulvotomentosa'],7,3,8.5 147330,6188,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton1ammonium,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera macrantha,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 147331,6188,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton1ammonium,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera hypoglauca,235196.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera hypoglauca'],7,3,8.5 147332,6188,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera implexa,692207.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera implexa'],7,3,8.5 147333,6188,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GWTUHAXUUFROTF-AVXJPILUSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-16(15(23)24)6-11(19)14(22)12(20)7-16/h1-5,11-12,14,17-20,22H,6-7H2,(H,23,24)/b4-2+/t11-,12-,14?,16?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC1(C(=O)O)C[C@@H](O)C(O)[C@H](O)C1,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,GWTUHAXUUFROTF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 147334,6188,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton1ammonium,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 147335,6188,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GWTUHAXUUFROTF-AVXJPILUSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-16(15(23)24)6-11(19)14(22)12(20)7-16/h1-5,11-12,14,17-20,22H,6-7H2,(H,23,24)/b4-2+/t11-,12-,14?,16?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC1(C(=O)O)C[C@@H](O)C(O)[C@H](O)C1,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,GWTUHAXUUFROTF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 147336,6188,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-PNQZTZQXSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14+,16-/m0/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1C[C@](O)(C(=O)O)C[C@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera bournei,5746380.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera bournei'],7,3,8.5 147337,6188,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton1ammonium,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera hypoglauca,235196.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera hypoglauca'],7,3,8.5 147338,6188,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera implexa,692207.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera implexa'],7,3,8.5 147317,6182,121,Alkaloids,Lysine alkaloids,Piperidine alkaloids,0.5704854,ISDB,YUVGUUFSLOQITK-HZJYTTRNSA-N,"InChI=1S/C24H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-21-20-24(26)22-18-15-16-19-23(22)25-21/h6-7,9-10,15-16,18-20H,2-5,8,11-14,17H2,1H3,(H,25,26)/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCc1cc(=O)c2ccccc2[nH]1,C24H33NO,,351.25621467600007,YUVGUUFSLOQITK,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,Tetradium ruticarpum,976536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Tetradium'],['Tetradium ruticarpum'],4,1,6.781941652297974 147282,6180,627,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_sodium,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera macrantha,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 147283,6180,627,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_sodium,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera hypoglauca,235196.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera hypoglauca'],7,3,8.5 147284,6180,627,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-PNQZTZQXSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14+,16-/m0/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1C[C@](O)(C(=O)O)C[C@H](O)[C@H]1O,C16H18O9,pos_1_sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera bournei,5746380.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera bournei'],7,3,8.5 147285,6180,627,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_sodium,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera macrantha,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 147286,6180,627,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_sodium,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera fulvotomentosa,650610.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera fulvotomentosa'],7,3,8.5 147287,6180,627,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_sodium,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera confusa,594829.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera confusa'],7,3,8.5 147288,6180,627,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_sodium,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera similis,960338.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera similis'],7,3,8.5 147289,6180,627,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_sodium,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera dasystyla,960340.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera dasystyla'],7,3,8.5 147290,6180,627,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_sodium,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera confusa,594829.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera confusa'],7,3,8.5 147291,6180,627,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_sodium,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera fulvotomentosa,650610.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera fulvotomentosa'],7,3,8.5 147292,6180,627,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera implexa,692207.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera implexa'],7,3,8.5 147293,6180,627,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_sodium,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera hypoglauca,235196.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera hypoglauca'],7,3,8.5 147294,6180,627,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera implexa,692207.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera implexa'],7,3,8.5 147295,6180,627,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_sodium,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera dasystyla,960340.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera dasystyla'],7,3,8.5 147296,6180,627,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_sodium,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera similis,960338.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera similis'],7,3,8.5 147297,6180,627,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_sodium,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 147298,6180,627,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-PNQZTZQXSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14+,16-/m0/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1C[C@](O)(C(=O)O)C[C@H](O)[C@H]1O,C16H18O9,pos_1_sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera bournei,5746380.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera bournei'],7,3,8.5 147299,6180,627,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GWTUHAXUUFROTF-AVXJPILUSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-16(15(23)24)6-11(19)14(22)12(20)7-16/h1-5,11-12,14,17-20,22H,6-7H2,(H,23,24)/b4-2+/t11-,12-,14?,16?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC1(C(=O)O)C[C@@H](O)C(O)[C@H](O)C1,C16H18O9,pos_1_sodium,354.0950821559999,GWTUHAXUUFROTF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 147300,6180,627,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GWTUHAXUUFROTF-AVXJPILUSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-16(15(23)24)6-11(19)14(22)12(20)7-16/h1-5,11-12,14,17-20,22H,6-7H2,(H,23,24)/b4-2+/t11-,12-,14?,16?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC1(C(=O)O)C[C@@H](O)C(O)[C@H](O)C1,C16H18O9,pos_1_sodium,354.0950821559999,GWTUHAXUUFROTF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 147301,6180,627,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_sodium,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 147281,6179,81,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,0.0,MS1_match,SGYXRITWGDMMSS-OUWJXSMFSA-N,"InChI=1S/C38H47NO17/c1-17-12-13-26-25(11-10-14-39-26)35(47)49-15-36(9)27-29(50-20(4)41)32(53-23(7)44)37(16-48-19(3)40)33(54-24(8)45)30(51-21(5)42)28(55-34(17)46)18(2)38(37,56-36)31(27)52-22(6)43/h10-11,14,17-18,27-33H,12-13,15-16H2,1-9H3/t17-,18+,27-,28-,29-,30+,31+,32+,33+,36-,37+,38-/m0/s1",CC(=O)OC[C@@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(=O)[C@@H](C)CCc4ncccc4C(=O)OC[C@]4(C)O[C@@]1([C@@H]3C)[C@H](OC(C)=O)[C@@H]4[C@H](OC(C)=O)[C@H]2OC(C)=O,C38H47NO17,pos_1_1proton,789.284399044,SGYXRITWGDMMSS,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Euonymus alatus,601141.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus alatus'],7,3,8.5 147280,6178,81,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,0.0,MS1_match,SGYXRITWGDMMSS-OUWJXSMFSA-N,"InChI=1S/C38H47NO17/c1-17-12-13-26-25(11-10-14-39-26)35(47)49-15-36(9)27-29(50-20(4)41)32(53-23(7)44)37(16-48-19(3)40)33(54-24(8)45)30(51-21(5)42)28(55-34(17)46)18(2)38(37,56-36)31(27)52-22(6)43/h10-11,14,17-18,27-33H,12-13,15-16H2,1-9H3/t17-,18+,27-,28-,29-,30+,31+,32+,33+,36-,37+,38-/m0/s1",CC(=O)OC[C@@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(=O)[C@@H](C)CCc4ncccc4C(=O)OC[C@]4(C)O[C@@]1([C@@H]3C)[C@H](OC(C)=O)[C@@H]4[C@H](OC(C)=O)[C@H]2OC(C)=O,C38H47NO17,pos_1_sodium,789.284399044,SGYXRITWGDMMSS,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Euonymus alatus,601141.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus alatus'],7,3,8.5 147189,6177,81,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,0.0,MS1_match,WQXGLECMNMWOGT-AUJIDJOBSA-N,"InChI=1S/C43H49NO18/c1-21-16-17-29-28(15-12-18-44-29)39(52)55-19-40(7)30-31(56-23(3)46)35(59-26(6)49)42(20-54-22(2)45)36(61-38(51)27-13-10-9-11-14-27)32(57-24(4)47)34(60-37(21)50)41(8,53)43(42,62-40)33(30)58-25(5)48/h9-15,18,21,30-36,53H,16-17,19-20H2,1-8H3/t21-,30-,31+,32+,33+,34+,35-,36-,40+,41-,42-,43+/m1/s1",CC(=O)OC[C@@]12[C@H](OC(=O)c3ccccc3)[C@@H](OC(C)=O)[C@@H]3OC(=O)[C@H](C)CCc4ncccc4C(=O)OC[C@]4(C)O[C@@]1([C@@H](OC(C)=O)[C@H]4[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@]3(C)O,C43H49NO18,pos_1_sodium,867.294963728,WQXGLECMNMWOGT,,,,Euonymus fortunei,484232.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus fortunei'],8,0,8.0 147188,6176,1308,,,,0.6601598,ISDB,,,,,,,ZJWICVPGFNAAKI,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.640639305114746 147164,6175,81,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,0.0,MS1_match,MKBQPQRKKGIVKB-WRUJPEORSA-N,"InChI=1S/C38H47NO18/c1-17-26(46)13-12-25-24(11-10-14-39-25)34(47)50-15-35(8)27-28(52-19(3)41)32(55-22(6)44)37(16-49-18(2)40)33(56-23(7)45)29(53-20(4)42)31(51-17)36(9,48)38(37,57-35)30(27)54-21(5)43/h10-11,14,17,27-33,48H,12-13,15-16H2,1-9H3/t17-,27+,28+,29-,30+,31-,32+,33-,35-,36+,37+,38-/m0/s1",CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3[C@@H](OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1CCC(=O)[C@H](C)O[C@@H]([C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@@]4(C)O,C38H47NO18,pos_1_sodium,805.279313664,MKBQPQRKKGIVKB,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Tripterygium wilfordii,300831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium wilfordii'],6,3,7.5 147150,6172,-1,,,,0.48531187,ISDB,,,,,,,YQOAGQXZERPGOO,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.9412474632263184 147149,6170,81,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,0.0,MS1_match,HNFOZXOCLKEAOY-LZRIJZTESA-N,"InChI=1S/C41H51NO18/c1-12-18(2)35(48)59-34-30(55-23(7)45)32-39(11,51)41-31(56-24(8)46)27(29(54-22(6)44)33(57-25(9)47)40(34,41)17-52-21(5)43)38(10,60-41)16-53-37(50)26-14-13-15-42-28(26)19(3)20(4)36(49)58-32/h12-15,19-20,27,29-34,51H,16-17H2,1-11H3/b18-12+/t19-,20-,27-,29-,30-,31-,32-,33-,34+,38+,39+,40-,41+/m1/s1",C/C=C(\C)C(=O)O[C@H]1[C@H](OC(C)=O)[C@H]2OC(=O)[C@H](C)[C@@H](C)c3ncccc3C(=O)OC[C@]3(C)O[C@@]4([C@H](OC(C)=O)[C@H]3[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@]14COC(C)=O)[C@@]2(C)O,C41H51NO18,pos_1_sodium,845.310613792,HNFOZXOCLKEAOY,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Monteverdia laevis,6092971.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Monteverdia'],['Monteverdia laevis'],6,3,7.5 147148,6169,81,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,0.0,MS1_match,DHLFYSNOCHUPMP-ZIBOQDOISA-N,"InChI=1S/C34H40O16/c1-16-26(45-18(3)36)27(46-19(4)37)30(49-22(7)40)33(15-43-17(2)35)29(48-21(6)39)25(41)24-28(47-20(5)38)34(16,33)50-32(24,8)14-44-31(42)23-12-10-9-11-13-23/h9-13,16,24,26-30H,14-15H2,1-8H3/t16-,24-,26-,27+,28-,29-,30+,32+,33-,34-/m1/s1",CC(=O)OC[C@]12[C@H](OC(C)=O)C(=O)[C@@H]3[C@@H](OC(C)=O)[C@]1(O[C@@]3(C)COC(=O)c1ccccc1)[C@H](C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O,C34H40O16,pos_1_1proton1acetonitrile,704.2316352,DHLFYSNOCHUPMP,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Euonymus sachalinensis,598270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus sachalinensis'],7,3,8.5 147146,6168,81,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,0.0,MS1_match,SGYXRITWGDMMSS-OUWJXSMFSA-N,"InChI=1S/C38H47NO17/c1-17-12-13-26-25(11-10-14-39-26)35(47)49-15-36(9)27-29(50-20(4)41)32(53-23(7)44)37(16-48-19(3)40)33(54-24(8)45)30(51-21(5)42)28(55-34(17)46)18(2)38(37,56-36)31(27)52-22(6)43/h10-11,14,17-18,27-33H,12-13,15-16H2,1-9H3/t17-,18+,27-,28-,29-,30+,31+,32+,33+,36-,37+,38-/m0/s1",CC(=O)OC[C@@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(=O)[C@@H](C)CCc4ncccc4C(=O)OC[C@]4(C)O[C@@]1([C@@H]3C)[C@H](OC(C)=O)[C@@H]4[C@H](OC(C)=O)[C@H]2OC(C)=O,C38H47NO17,pos_1_1proton,789.284399044,SGYXRITWGDMMSS,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Euonymus alatus,601141.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus alatus'],7,3,8.5 147136,6167,806,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,0.22733282,ISDB,BOSWOPWZUWOKCS-JENPMCLXSA-N,"InChI=1S/C34H39NO11/c1-19-16-26(42-20(2)36)28(44-22(4)38)33(18-41-31(40)25-14-10-11-15-35-25)29(45-30(39)23-12-8-7-9-13-23)27(43-21(3)37)24-17-34(19,33)46-32(24,5)6/h7-15,19,24,26-29H,16-18H2,1-6H3/t19-,24-,26+,27+,28+,29-,33+,34+/m1/s1",CC(=O)O[C@H]1[C@H]2C[C@]3(OC2(C)C)[C@H](C)C[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]3(COC(=O)c2ccccn2)[C@@H]1OC(=O)c1ccccc1,C34H39NO11,,637.252311068,BOSWOPWZUWOKCS,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Celastrus angulatus,709269.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Celastrus'],['Celastrus angulatus'],6,3,8.409331262111664 147128,6166,81,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,0.0,MS1_match,IMIAGCONYJPMDY-UHFFFAOYSA-N,"InChI=1S/C36H43NO17/c1-15-16(2)31(44)53-29-26(49-18(4)39)30(52-21(7)42)35(14-47-17(3)38)28(51-20(6)41)25(43)23-27(50-19(5)40)36(35,34(29,9)46)54-33(23,8)13-48-32(45)22-11-10-12-37-24(15)22/h10-12,15-16,23,26-30,46H,13-14H2,1-9H3",CC(=O)OCC12C(OC(C)=O)C(=O)C3C(OC(C)=O)C14OC3(C)COC(=O)c1cccnc1C(C)C(C)C(=O)OC(C(OC(C)=O)C2OC(C)=O)C4(C)O,C36H43NO17,pos_1_1proton,761.253098916,IMIAGCONYJPMDY,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Euonymus nanus,70569.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus nanus'],7,0,7.0 147129,6166,81,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,0.0,MS1_match,IMIAGCONYJPMDY-IZJUWVJPSA-N,"InChI=1S/C36H43NO17/c1-15-16(2)31(44)53-29-26(49-18(4)39)30(52-21(7)42)35(14-47-17(3)38)28(51-20(6)41)25(43)23-27(50-19(5)40)36(35,34(29,9)46)54-33(23,8)13-48-32(45)22-11-10-12-37-24(15)22/h10-12,15-16,23,26-30,46H,13-14H2,1-9H3/t15-,16-,23+,26+,27-,28+,29-,30+,33-,34+,35-,36-/m1/s1",CC(=O)OC[C@]12[C@@H](OC(C)=O)C(=O)[C@H]3[C@@H](OC(C)=O)[C@]14O[C@]3(C)COC(=O)c1cccnc1[C@H](C)[C@@H](C)C(=O)O[C@H]([C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@]4(C)O,C36H43NO17,pos_1_1proton,761.253098916,IMIAGCONYJPMDY,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Euonymus sachalinensis,598270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus sachalinensis'],7,0,7.0 147130,6166,81,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,0.0,MS1_match,IMIAGCONYJPMDY-DYYRVMIMSA-N,"InChI=1S/C36H43NO17/c1-15-16(2)31(44)53-29-26(49-18(4)39)30(52-21(7)42)35(14-47-17(3)38)28(51-20(6)41)25(43)23-27(50-19(5)40)36(35,34(29,9)46)54-33(23,8)13-48-32(45)22-11-10-12-37-24(15)22/h10-12,15-16,23,26-30,46H,13-14H2,1-9H3/t15-,16-,23+,26-,27+,28+,29-,30-,33-,34-,35+,36-/m0/s1",CC(=O)OC[C@]12[C@H](OC(C)=O)C(=O)[C@@H]3[C@@H](OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1[C@@H](C)[C@H](C)C(=O)O[C@@H]([C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@]4(C)O,C36H43NO17,pos_1_1proton,761.253098916,IMIAGCONYJPMDY,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Euonymus alatus,601141.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus alatus'],7,0,7.0 147131,6166,81,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,0.0,MS1_match,IMIAGCONYJPMDY-DYYRVMIMSA-N,"InChI=1S/C36H43NO17/c1-15-16(2)31(44)53-29-26(49-18(4)39)30(52-21(7)42)35(14-47-17(3)38)28(51-20(6)41)25(43)23-27(50-19(5)40)36(35,34(29,9)46)54-33(23,8)13-48-32(45)22-11-10-12-37-24(15)22/h10-12,15-16,23,26-30,46H,13-14H2,1-9H3/t15-,16-,23+,26-,27+,28+,29-,30-,33-,34-,35+,36-/m0/s1",CC(=O)OC[C@]12[C@H](OC(C)=O)C(=O)[C@@H]3[C@@H](OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1[C@@H](C)[C@H](C)C(=O)O[C@@H]([C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@]4(C)O,C36H43NO17,pos_1_1proton,761.253098916,IMIAGCONYJPMDY,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Euonymus europaeus,806632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus europaeus'],7,0,7.0 147132,6166,81,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,0.0,MS1_match,QFMYKKJPSVFBKJ-UHFFFAOYSA-N,"InChI=1S/C36H43NO17/c1-16-11-12-23-22(10-9-13-37-23)32(45)48-14-33(7)24-25(43)28(51-20(5)41)35(15-47-17(2)38)30(52-21(6)42)26(49-18(3)39)29(53-31(16)44)34(8,46)36(35,54-33)27(24)50-19(4)40/h9-10,13,16,24,26-30,46H,11-12,14-15H2,1-8H3",CC(=O)OCC12C(OC(C)=O)C(=O)C3C(OC(C)=O)C14OC3(C)COC(=O)c1cccnc1CCC(C)C(=O)OC(C(OC(C)=O)C2OC(C)=O)C4(C)O,C36H43NO17,pos_1_1proton,761.253098916,QFMYKKJPSVFBKJ,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Euonymus europaeus,806632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus europaeus'],7,0,7.0 147133,6166,81,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,0.0,MS1_match,QFMYKKJPSVFBKJ-UHFFFAOYSA-N,"InChI=1S/C36H43NO17/c1-16-11-12-23-22(10-9-13-37-23)32(45)48-14-33(7)24-25(43)28(51-20(5)41)35(15-47-17(2)38)30(52-21(6)42)26(49-18(3)39)29(53-31(16)44)34(8,46)36(35,54-33)27(24)50-19(4)40/h9-10,13,16,24,26-30,46H,11-12,14-15H2,1-8H3",CC(=O)OCC12C(OC(C)=O)C(=O)C3C(OC(C)=O)C14OC3(C)COC(=O)c1cccnc1CCC(C)C(=O)OC(C(OC(C)=O)C2OC(C)=O)C4(C)O,C36H43NO17,pos_1_1proton,761.253098916,QFMYKKJPSVFBKJ,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Euonymus nanus,70569.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus nanus'],7,0,7.0 147104,6164,81,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,0.0,MS1_match,MKBQPQRKKGIVKB-WRUJPEORSA-N,"InChI=1S/C38H47NO18/c1-17-26(46)13-12-25-24(11-10-14-39-25)34(47)50-15-35(8)27-28(52-19(3)41)32(55-22(6)44)37(16-49-18(2)40)33(56-23(7)45)29(53-20(4)42)31(51-17)36(9,48)38(37,57-35)30(27)54-21(5)43/h10-11,14,17,27-33,48H,12-13,15-16H2,1-9H3/t17-,27+,28+,29-,30+,31-,32+,33-,35-,36+,37+,38-/m0/s1",CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3[C@@H](OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1CCC(=O)[C@H](C)O[C@@H]([C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@@]4(C)O,C38H47NO18,pos_1_1proton,805.279313664,MKBQPQRKKGIVKB,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Tripterygium wilfordii,300831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium wilfordii'],6,3,7.5 147089,6162,789,Terpenoids,Triterpenoids,Friedelane triterpenoids,0.0,MS1_match,DPKBLLFCUGWECD-GTYQNAEWSA-N,"InChI=1S/C28H46O3/c1-18-19(29)7-8-20-24(18,3)10-9-21-25(20,4)12-13-27(6)22-17-23(2,30)11-15-28(22,31)16-14-26(21,27)5/h18,20-22,30-31H,7-17H2,1-6H3/t18-,20+,21-,22-,23+,24+,25-,26+,27-,28-/m0/s1",C[C@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(O)CC[C@]3(O)CC[C@]12C,C28H46O3,pos_2MNa,430.344695332,DPKBLLFCUGWECD,Terpenoids,Triterpenoids,Friedelane triterpenoids,Euonymus laxiflorus,310705.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus laxiflorus'],7,3,8.5 147087,6161,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,BMRSEYFENKXDIS-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O8,pos_1_1proton1ammonium,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 147088,6161,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,BMRSEYFENKXDIS-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O8,pos_1_1proton1ammonium,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 147084,6160,627,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.63969535,ISDB,INMABPVEUVMMPG-UHFFFAOYSA-N,"InChI=1S/C18H16O8/c1-6-4-10(20)7(2)14-11(6)18(24)26-16-9(5-19)13(21)12(17(22)23)8(3)15(16)25-14/h4,19-21H,5H2,1-3H3,(H,22,23)",Cc1cc(O)c(C)c2c1C(=O)Oc1c(CO)c(O)c(C(=O)O)c(C)c1O2,C18H16O8,,360.084517472,INMABPVEUVMMPG,Polyketides,Aromatic polyketides,Depsidones,Relicina incongrua,3768319.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Lecanoromycetes'],['Lecanorales'],['Parmeliaceae'],['Unknown'],['Relicina'],['Relicina incongrua'],1,0,3.558781385421753 147085,6160,627,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.63969535,ISDB,INMABPVEUVMMPG-UHFFFAOYSA-N,"InChI=1S/C18H16O8/c1-6-4-10(20)7(2)14-11(6)18(24)26-16-9(5-19)13(21)12(17(22)23)8(3)15(16)25-14/h4,19-21H,5H2,1-3H3,(H,22,23)",Cc1cc(O)c(C)c2c1C(=O)Oc1c(CO)c(O)c(C(=O)O)c(C)c1O2,C18H16O8,,360.084517472,INMABPVEUVMMPG,Polyketides,Aromatic polyketides,Depsidones,Lecanora myriocarpoides,3777073.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Lecanoromycetes'],['Lecanorales'],['Lecanoraceae'],['Unknown'],['Lecanora'],['Lecanora myriocarpoides'],1,0,3.558781385421753 147071,6157,806,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,0.28184167,ISDB,LISHAQDJMDPPOF-TVUKNPRMSA-N,"InChI=1S/C34H39NO12/c1-19(36)42-18-33-24(43-20(2)37)14-15-32(6,41)34(33)27(44-21(3)38)25(31(4,5)47-34)26(45-29(39)22-11-8-7-9-12-22)28(33)46-30(40)23-13-10-16-35-17-23/h7-13,16-17,24-28,41H,14-15,18H2,1-6H3/t24-,25+,26+,27+,28+,32-,33-,34-/m0/s1",CC(=O)OC[C@@]12[C@@H](OC(C)=O)CC[C@](C)(O)[C@]13OC(C)(C)[C@H]([C@@H](OC(=O)c1ccccc1)[C@H]2OC(=O)c1cccnc1)[C@H]3OC(C)=O,C34H39NO12,,653.247225688,LISHAQDJMDPPOF,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Tripterygium wilfordii,300831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium wilfordii'],6,3,8.627366662025452 147002,6151,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.3185921,ISDB,YJMNEZANCYQLJR-RXRZWOQSSA-N,"InChI=1S/C30H26O13/c31-12-6-17(35)23-22(7-12)42-29(10-1-2-14(32)16(34)3-10)27(41)25(23)24-18(36)9-15(33)13-8-21(39)28(43-30(13)24)11-4-19(37)26(40)20(38)5-11/h1-7,9,21,25,27-29,31-41H,8H2/t21-,25?,27-,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2c1c(O)cc(O)c2c1O[C@H](c1cc(O)c(O)c(O)c1)[C@H](O)C2,C30H26O13,,594.137340892,YJMNEZANCYQLJR,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Gymnosporia senegalensis,170566.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Gymnosporia'],['Gymnosporia senegalensis'],6,3,8.774368405342102 146968,6149,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera fulvotomentosa,650610.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera fulvotomentosa'],7,3,8.5 146969,6149,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 146970,6149,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera macrantha,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 146971,6149,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-PNQZTZQXSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14+,16-/m0/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1C[C@](O)(C(=O)O)C[C@H](O)[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera bournei,5746380.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera bournei'],7,3,8.5 146972,6149,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera fulvotomentosa,650610.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera fulvotomentosa'],7,3,8.5 146973,6149,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera confusa,594829.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera confusa'],7,3,8.5 146974,6149,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera dasystyla,960340.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera dasystyla'],7,3,8.5 146975,6149,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera similis,960338.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera similis'],7,3,8.5 146976,6149,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera dasystyla,960340.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera dasystyla'],7,3,8.5 146977,6149,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera confusa,594829.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera confusa'],7,3,8.5 146978,6149,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera implexa,692207.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera implexa'],7,3,8.5 146979,6149,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera macrantha,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 146980,6149,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera hypoglauca,235196.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera hypoglauca'],7,3,8.5 146981,6149,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera implexa,692207.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera implexa'],7,3,8.5 146982,6149,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera similis,960338.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera similis'],7,3,8.5 146983,6149,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 146984,6149,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GWTUHAXUUFROTF-AVXJPILUSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-16(15(23)24)6-11(19)14(22)12(20)7-16/h1-5,11-12,14,17-20,22H,6-7H2,(H,23,24)/b4-2+/t11-,12-,14?,16?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC1(C(=O)O)C[C@@H](O)C(O)[C@H](O)C1,C16H18O9,pos_1_1proton,354.0950821559999,GWTUHAXUUFROTF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 146985,6149,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-PNQZTZQXSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14+,16-/m0/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1C[C@](O)(C(=O)O)C[C@H](O)[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera bournei,5746380.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera bournei'],7,3,8.5 146986,6149,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GWTUHAXUUFROTF-AVXJPILUSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-16(15(23)24)6-11(19)14(22)12(20)7-16/h1-5,11-12,14,17-20,22H,6-7H2,(H,23,24)/b4-2+/t11-,12-,14?,16?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC1(C(=O)O)C[C@@H](O)C(O)[C@H](O)C1,C16H18O9,pos_1_1proton,354.0950821559999,GWTUHAXUUFROTF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 146987,6149,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera hypoglauca,235196.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera hypoglauca'],7,3,8.5 146967,6148,121,Alkaloids,Lysine alkaloids,Piperidine alkaloids,0.0,MS1_match,XNQNGMLBSCADES-RWWGKFEVSA-N,"InChI=1S/C19H33N3O2/c1-3-4-5-6-7-11-18-16-19(24)21-13-10-15-22(17(2)23)14-9-8-12-20-18/h4-5,7,11,18,20H,3,6,8-10,12-16H2,1-2H3,(H,21,24)/b5-4-,11-7-/t18-/m0/s1",CC/C=C\C/C=C\[C@H]1CC(=O)NCCCN(C(C)=O)CCCCN1,C19H33N3O2,pos_1_1proton,335.257277296,XNQNGMLBSCADES,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Monteverdia loeseneri,5750134.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Monteverdia'],['Monteverdia loeseneri'],6,3,7.5 146958,6147,650,Polyketides,Aromatic polyketides,Catechols with side chains,0.3153726,ISDB,FGPOGAUCGOZVPS-XBLVEGMJSA-N,"InChI=1S/C18H26O/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(19)16-14-17/h7-10,13-16,19H,2-6,11-12H2,1H3/b8-7+,10-9+",CCCCCC/C=C/C=C/CCc1ccc(O)cc1,C18H26O,,258.198365452,FGPOGAUCGOZVPS,Polyketides,Aromatic polyketides,Catechols with side chains,Piper villiramulum,865488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper villiramulum'],4,3,6.761490345001221 144250,6146,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.26230672,ISDB,MIJYXULNPSFWEK-GTOFXWBISA-N,"InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O3,,456.3603453959999,MIJYXULNPSFWEK,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lonicera angustifolia,6061340.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera angustifolia'],7,3,9.549226880073547 144246,6145,219,Fatty acids,Fatty acyls,Fatty aldehydes,0.0,MS1_match,QPJVMBTYPHYUOC-UHFFFAOYSA-N,"InChI=1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3",COC(=O)c1ccccc1,C8H8O2,pos_2MHNH3,136.052429496,QPJVMBTYPHYUOC,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 144244,6143,-1,,,,0.0,MS1_match,GEWDNTWNSAZUDX-WQMVXFAESA-N,"InChI=1S/C13H20O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h4-5,10-11H,3,6-9H2,1-2H3/b5-4-/t10-,11-/m1/s1",CC/C=C\C[C@H]1C(=O)CC[C@@H]1CC(=O)OC,C13H20O3,pos_1_sodium,224.1412445,GEWDNTWNSAZUDX,Fatty acids,Octadecanoids,Jasmonic acids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 144243,6142,-1,,,,0.0,MS1_match,PRCDDNKVZQBPNG-YBWZTWLNSA-N,"InChI=1S/C18H30O3/c1-11-9-14(20-12(2)19)15-17(11,5)10-13-7-8-18(15,6)21-16(13,3)4/h11,13-15H,7-10H2,1-6H3/t11-,13-,14-,15-,17-,18+/m1/s1",CC(=O)O[C@@H]1C[C@@H](C)[C@@]2(C)C[C@H]3CC[C@](C)(OC3(C)C)[C@H]12,C18H30O3,pos_2MHNH3,294.21949482,PRCDDNKVZQBPNG,Terpenoids,Sesquiterpenoids,,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 144212,6139,-1,,,,0.72279507,ISDB,VFNUNYPYULIJSN-UHFFFAOYSA-N,"InChI=1S/C12H18O/c1-8(2)10-5-6-11(9(3)4)12(13)7-10/h5-9,13H,1-4H3",CC(C)c1ccc(C(C)C)c(O)c1,C12H18O,,178.135765196,VFNUNYPYULIJSN,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Thymus capitatus,27200.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Thymbra'],['Thymbra capitata'],4,0,6.8911802768707275 144213,6139,-1,,,,0.72279507,ISDB,VFNUNYPYULIJSN-UHFFFAOYSA-N,"InChI=1S/C12H18O/c1-8(2)10-5-6-11(9(3)4)12(13)7-10/h5-9,13H,1-4H3",CC(C)c1ccc(C(C)C)c(O)c1,C12H18O,,178.135765196,VFNUNYPYULIJSN,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Coridothymus capitatus,27200.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Thymbra'],['Thymbra capitata'],4,0,6.8911802768707275 144214,6139,-1,,,,0.72279507,ISDB,VFNUNYPYULIJSN-UHFFFAOYSA-N,"InChI=1S/C12H18O/c1-8(2)10-5-6-11(9(3)4)12(13)7-10/h5-9,13H,1-4H3",CC(C)c1ccc(C(C)C)c(O)c1,C12H18O,,178.135765196,VFNUNYPYULIJSN,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Thymus martinezii,27200.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Thymbra'],['Thymbra capitata'],4,0,6.8911802768707275 144215,6139,-1,,,,0.72279507,ISDB,VFNUNYPYULIJSN-UHFFFAOYSA-N,"InChI=1S/C12H18O/c1-8(2)10-5-6-11(9(3)4)12(13)7-10/h5-9,13H,1-4H3",CC(C)c1ccc(C(C)C)c(O)c1,C12H18O,,178.135765196,VFNUNYPYULIJSN,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Thymbra capitata,27200.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Thymbra'],['Thymbra capitata'],4,0,6.8911802768707275 144209,6138,1226,Polyketides,Aromatic polyketides,Depsides,0.48126298,ISDB,ZWERVKPIXLXNTP-YXDDMCJOSA-N,"InChI=1S/C30H48O8/c1-3-21(2)25(37-30-29(36)28(35)27(34)26(20-31)38-30)16-14-12-10-8-6-4-5-7-9-11-13-15-22-17-23(32)19-24(33)18-22/h5,7,9,11,17-19,21,25-36H,3-4,6,8,10,12-16,20H2,1-2H3/b7-5+,11-9+/t21-,25+,26+,27+,28-,29+,30-/m0/s1",CC[C@H](C)[C@@H](CCCCCCC/C=C/C=C/CCc1cc(O)cc(O)c1)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C30H48O8,,536.3349184959998,ZWERVKPIXLXNTP,Polyketides,Aromatic polyketides,Depsides,Penicillium simplicissimum,968742.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Penicillium'],['Penicillium simplicissimum'],1,3,4.425051927566528 144210,6138,1226,Polyketides,Aromatic polyketides,Depsides,0.48126298,ISDB,ZWERVKPIXLXNTP-YXDDMCJOSA-N,"InChI=1S/C30H48O8/c1-3-21(2)25(37-30-29(36)28(35)27(34)26(20-31)38-30)16-14-12-10-8-6-4-5-7-9-11-13-15-22-17-23(32)19-24(33)18-22/h5,7,9,11,17-19,21,25-36H,3-4,6,8,10,12-16,20H2,1-2H3/b7-5+,11-9+/t21-,25+,26+,27+,28-,29+,30-/m0/s1",CC[C@H](C)[C@@H](CCCCCCC/C=C/C=C/CCc1cc(O)cc(O)c1)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C30H48O8,,536.3349184959998,ZWERVKPIXLXNTP,Polyketides,Aromatic polyketides,Depsides,Penicillium janthinellum,226477.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Penicillium'],['Penicillium janthinellum'],1,3,4.425051927566528 144211,6138,1226,Polyketides,Aromatic polyketides,Depsides,0.48126298,ISDB,ZWERVKPIXLXNTP-YXDDMCJOSA-N,"InChI=1S/C30H48O8/c1-3-21(2)25(37-30-29(36)28(35)27(34)26(20-31)38-30)16-14-12-10-8-6-4-5-7-9-11-13-15-22-17-23(32)19-24(33)18-22/h5,7,9,11,17-19,21,25-36H,3-4,6,8,10,12-16,20H2,1-2H3/b7-5+,11-9+/t21-,25+,26+,27+,28-,29+,30-/m0/s1",CC[C@H](C)[C@@H](CCCCCCC/C=C/C=C/CCc1cc(O)cc(O)c1)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C30H48O8,,536.3349184959998,ZWERVKPIXLXNTP,Polyketides,Aromatic polyketides,Depsides,Penicillium ianthinellum,82948.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Penicillium'],['Penicillium ianthinellum'],1,3,4.425051927566528 144207,6136,1014,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,0.0,MS1_match,MLIXRKUBDYCIFK-HQJQHLMTSA-N,"InChI=1S/C11H14O3/c1-7-4-3-5-8-10(13)14-9(12)6-11(7,8)2/h5,7H,3-4,6H2,1-2H3/t7-,11+/m1/s1",C[C@@H]1CCC=C2C(=O)OC(=O)C[C@]21C,C11H14O3,pos_1_1sodium1acetonitrile,194.094294308,MLIXRKUBDYCIFK,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Nardostachys jatamansi,24101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Nardostachys'],['Nardostachys jatamansi'],6,3,7.5 144143,6133,94,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.611186,ISDB,HRALRUDVSKRSQK-UHFFFAOYSA-N,"InChI=1S/C19H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h2H,1,3-14,17-18H2,(H,20,21)",C=CCCCCCCCCCCCCC#CCCC(=O)O,C19H32O2,,292.240230264,HRALRUDVSKRSQK,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Hymenodictyon orixense,47116.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Hymenodictyeae'],['Hymenodictyon'],['Hymenodictyon orixense'],4,3,7.944744110107422 144144,6133,94,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.611186,ISDB,HRALRUDVSKRSQK-UHFFFAOYSA-N,"InChI=1S/C19H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h2H,1,3-14,17-18H2,(H,20,21)",C=CCCCCCCCCCCCCC#CCCC(=O)O,C19H32O2,,292.240230264,HRALRUDVSKRSQK,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Hymenodictyon excelsum,535691.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Hymenodictyeae'],['Hymenodictyon'],['Hymenodictyon excelsum'],4,3,7.944744110107422 144096,6132,-1,,,,0.2245733,ISDB,AGHYYIRUYLLBAR-DOTOQJQBSA-N,"InChI=1S/C19H32O4/c1-15(20)9-7-5-3-2-4-6-8-10-17(21)11-16-12-18(22)14-19(23)13-16/h12-15,17,20-23H,2-11H2,1H3/t15-,17+/m0/s1",C[C@H](O)CCCCCCCCC[C@@H](O)Cc1cc(O)cc(O)c1,C19H32O4,,324.230059504,AGHYYIRUYLLBAR,Polyketides,,,Ononis pubescens,323322.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Ononis'],['Ononis pubescens'],4,0,4.898293197154999 143397,6120,15,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,0.35148275,ISDB,AFMMLDAVYSFRHS-HGNGLJKMSA-N,"InChI=1S/C15H22O4/c1-14(2)9-6-7-15(3)8(4-5-10(16)19-15)11(12(9)14)13(17)18/h8-9,11-12H,4-7H2,1-3H3,(H,17,18)/t8-,9-,11-,12-,15-/m0/s1",CC1(C)[C@@H]2[C@@H](C(=O)O)[C@@H]3CCC(=O)O[C@@]3(C)CC[C@@H]21,C15H22O4,,266.151809184,AFMMLDAVYSFRHS,Terpenoids,Sesquiterpenoids,Aromadendrane sesquiterpenoids,Valeriana dageletiana,7625130.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana dageletiana'],6,2,8.405930995941162 143398,6120,15,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,0.35148275,ISDB,AFMMLDAVYSFRHS-HGNGLJKMSA-N,"InChI=1S/C15H22O4/c1-14(2)9-6-7-15(3)8(4-5-10(16)19-15)11(12(9)14)13(17)18/h8-9,11-12H,4-7H2,1-3H3,(H,17,18)/t8-,9-,11-,12-,15-/m0/s1",CC1(C)[C@@H]2[C@@H](C(=O)O)[C@@H]3CCC(=O)O[C@@]3(C)CC[C@@H]21,C15H22O4,,266.151809184,AFMMLDAVYSFRHS,Terpenoids,Sesquiterpenoids,Aromadendrane sesquiterpenoids,Valeriana officinalis var. latifolia,430697.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,2,8.405930995941162 143399,6120,15,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,0.35148275,ISDB,AFMMLDAVYSFRHS-HGNGLJKMSA-N,"InChI=1S/C15H22O4/c1-14(2)9-6-7-15(3)8(4-5-10(16)19-15)11(12(9)14)13(17)18/h8-9,11-12H,4-7H2,1-3H3,(H,17,18)/t8-,9-,11-,12-,15-/m0/s1",CC1(C)[C@@H]2[C@@H](C(=O)O)[C@@H]3CCC(=O)O[C@@]3(C)CC[C@@H]21,C15H22O4,,266.151809184,AFMMLDAVYSFRHS,Terpenoids,Sesquiterpenoids,Aromadendrane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,2,8.405930995941162 143316,6117,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_1_1proton,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Lonicera tatarica,980069.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],8,0,8.0 143317,6117,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_1_1proton,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Lonicera tatarica,980069.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],8,0,8.0 143315,6112,689,Fatty acids,Fatty esters,Wax monoesters,0.0,MS1_match,HDDLVZWGOPWKFW-UHFFFAOYSA-N,"InChI=1S/C9H14O7/c1-14-6(10)4-9(13,8(12)16-3)5-7(11)15-2/h13H,4-5H2,1-3H3",COC(=O)CC(O)(CC(=O)OC)C(=O)OC,C9H14O7,pos_1_1proton1acetonitrile,234.073952788,HDDLVZWGOPWKFW,Fatty acids,Fatty esters,Wax monoesters,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],7,3,8.5 143312,6108,-1,,,,0.0,MS1_match,OUWXZGMEFZQYEK-WQLSENKSSA-N,"InChI=1S/C16H24O2/c1-9-5-6-13(8-12(4)16(17)18)15-11(3)7-10(2)14(9)15/h8-10,13-14H,5-7H2,1-4H3,(H,17,18)/b12-8-",CC1=C2C(/C=C(/C)C(=O)O)CCC(C)C2C(C)C1,C16H24O2,pos_1_minus1proton2sodium,248.177630008,OUWXZGMEFZQYEK,Terpenoids,Sesquiterpenoids,Valerenane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 143313,6108,-1,,,,0.0,MS1_match,QZOHYBQLEGSTNQ-JQNTVMKESA-N,"InChI=1S/C29H44O12/c1-16(2)9-23(32)36-13-20-14-37-27(40-24(33)10-17(3)4)26-21(20)11-22(39-18(5)30)29(26,35)15-38-25(34)12-28(7,8)41-19(6)31/h14,16-17,21-22,26-27,35H,9-13,15H2,1-8H3/t21-,22+,26-,27+,29-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]1(O)COC(=O)CC(C)(C)OC(C)=O,C29H44O12,pos_2_2proton,584.2832768479999,QZOHYBQLEGSTNQ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,0,6.0 143314,6108,-1,,,,0.0,MS1_match,QZOHYBQLEGSTNQ-JQNTVMKESA-N,"InChI=1S/C29H44O12/c1-16(2)9-23(32)36-13-20-14-37-27(40-24(33)10-17(3)4)26-21(20)11-22(39-18(5)30)29(26,35)15-38-25(34)12-28(7,8)41-19(6)31/h14,16-17,21-22,26-27,35H,9-13,15H2,1-8H3/t21-,22+,26-,27+,29-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]1(O)COC(=O)CC(C)(C)OC(C)=O,C29H44O12,pos_2_2proton,584.2832768479999,QZOHYBQLEGSTNQ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Nardostachys jatamansi,24101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Nardostachys'],['Nardostachys jatamansi'],6,0,6.0 143308,6105,82,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.4150284,ISDB,WKQNRCYKYCKESD-UHFFFAOYSA-N,"InChI=1S/C26H48NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h6-7,9-10,12-13,25,28H,5,8,11,14-24H2,1-4H3",CCC=CCC=CCC=CCCCCCCCC(=O)OCC(O)COP(=O)([O-])OCC[N+](C)(C)C,C26H48NO7P,,517.316839506,WKQNRCYKYCKESD,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],4,3,7.160113573074341 143309,6105,82,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.4150284,ISDB,WKQNRCYKYCKESD-YVHLTTHBSA-N,"InChI=1S/C26H48NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h6-7,9-10,12-13,25,28H,5,8,11,14-24H2,1-4H3/b7-6-,10-9-,13-12-/t25-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C,C26H48NO7P,,517.316839506,WKQNRCYKYCKESD,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Vitis vinifera,756728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Vitales'],['Vitaceae'],['Viteae'],['Vitis'],['Vitis vinifera'],4,3,7.160113573074341 143293,6103,-1,,,,0.0,MS1_match,HSUIVCLOAAJSRE-UHFFFAOYSA-N,"InChI=1S/C14H18O6/c1-17-7-9-19-13(15)11-5-3-4-6-12(11)14(16)20-10-8-18-2/h3-6H,7-10H2,1-2H3",COCCOC(=O)c1ccccc1C(=O)OCCOC,C14H18O6,pos_1_1proton1ammonium,282.110338296,HSUIVCLOAAJSRE,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 143292,6102,-1,,,,0.2765777,ISDB,XSAPVTUEGDPTEC-ZBEZCMNISA-N,"InChI=1S/C14H19NO4/c1-8-11(17)15-14(12(18)19-13(8,14)2)10(16)9-6-4-3-5-7-9/h4,6,8-10,16H,3,5,7H2,1-2H3,(H,15,17)/t8-,9-,10+,13+,14+/m1/s1",C[C@@H]1C(=O)N[C@@]2([C@@H](O)[C@@H]3C=CCCC3)C(=O)O[C@@]12C,C14H19NO4,,265.131408088,XSAPVTUEGDPTEC,Amino acids and Peptides,γ-lactam-β-lactones,Salinosporamides,Salinispora tropica,530014.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Micromonosporales'],['Micromonosporaceae'],['Unknown'],['Salinispora'],['Salinispora tropica'],0,0,1.1063108444213867 143291,6095,7,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.41002455,ISDB,OZOLQBVPEIWKPL-ARJAWSKDSA-N,"InChI=1S/C22H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h1,3-4,23H,5-8,11-14,17-19,22H2/b4-3-",C#C/C=C\CCCCC#CCCCCC#CCCCC#CCO,C22H28O,,308.214015516,OZOLQBVPEIWKPL,Fatty acids,Fatty acyls,Fatty alcohols,Callyspongia,1031750.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Haplosclerida'],['Callyspongiidae'],['Unknown'],['Callyspongia'],['Unknown'],0,0,1.640098214149475 143207,6093,58,Polyketides,Glycerolipids,Glycosyldiacylglycerols,0.7420103,ISDB,JDVDGNAHTZMMBI-UHFFFAOYSA-N,"InChI=1S/C21H36O3/c1-5-7-8-9-10-11-12-13-14-15-16-19-17(3)20(22)18(6-2)21(23-4)24-19/h5-16H2,1-4H3",CCCCCCCCCCCCc1oc(OC)c(CC)c(=O)c1C,C21H36O3,,336.266445012,JDVDGNAHTZMMBI,Polyketides,Cyclic polyketides,4-pyrone derivatives,Podolepis rugata,24091.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Podolepis'],['Podolepis rugata'],4,1,7.468041181564331 143189,6092,-1,,,,0.8607143,ISDB,LRYANVPYFCKCCR-UHFFFAOYSA-N,"InChI=1S/C14H12O4/c15-11-6-7-13(16)12(8-11)14(17)18-9-10-4-2-1-3-5-10/h1-8,15-16H,9H2",O=C(OCc1ccccc1)c1cc(O)ccc1O,C14H12O4,,244.073558864,LRYANVPYFCKCCR,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Populus balsamifera,374288.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Salicaceae'],['Saliceae'],['Populus'],['Populus balsamifera'],4,0,7.442857265472412 143190,6092,-1,,,,0.8607143,ISDB,LRYANVPYFCKCCR-UHFFFAOYSA-N,"InChI=1S/C14H12O4/c15-11-6-7-13(16)12(8-11)14(17)18-9-10-4-2-1-3-5-10/h1-8,15-16H,9H2",O=C(OCc1ccccc1)c1cc(O)ccc1O,C14H12O4,,244.073558864,LRYANVPYFCKCCR,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Populus candicans,5763646.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Salicaceae'],['Saliceae'],['Populus'],['Populus candicans'],4,0,7.442857265472412 143178,6085,266,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,KZNWWOXBZGCGSK-UHFFFAOYSA-N,"InChI=1S/C11H10O3/c1-13-5-9-6-14-7-11-8(4-12)2-3-10(9)11/h2-4,6-7H,5H2,1H3",COCc1cocc2c(C=O)ccc1-2,C11H10O3,pos_1_1proton1ammonium,190.06299418,KZNWWOXBZGCGSK,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,3,7.5 143177,6084,-1,,,,0.51502806,ISDB,OYEWMEUDOVKFPP-UHFFFAOYSA-N,"InChI=1S/C23H28O7/c1-4-5-6-7-8-9-15-11-16(29-3)12-19(25)21(15)23(28)30-17-10-14(2)20(22(26)27)18(24)13-17/h10-13,24-25H,4-9H2,1-3H3,(H,26,27)",CCCCCCCc1cc(OC)cc(O)c1C(=O)Oc1cc(C)c(C(=O)O)c(O)c1,C23H28O7,,416.183503236,OYEWMEUDOVKFPP,Polyketides,Aromatic polyketides,Depsides,Dimelaena oreina,730644.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Lecanoromycetes'],['Teloschistales'],['Physciaceae'],['Unknown'],['Dimelaena'],['Dimelaena oreina'],1,0,3.060112237930298 143176,6083,86,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.21192063,ISDB,GUUVNQSNUOVRLG-RMQGLKJSSA-N,"InChI=1S/C27H42O12/c1-13(8-9-28)6-5-7-14(2)24(33)37-18-10-16-17(25(34)35-4)12-36-26(20(16)15(18)3)39-27-23(32)22(31)21(30)19(11-29)38-27/h7,12-13,15-16,18-23,26-32H,5-6,8-11H2,1-4H3/b14-7+/t13-,15-,16+,18-,19+,20+,21+,22-,23+,26-,27-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](C)[C@@H](OC(=O)/C(C)=C/CC[C@H](C)CCO)C[C@H]12,C27H42O12,,558.267626784,GUUVNQSNUOVRLG,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Picconia excelsa,89219.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Oleaceae'],['Oleeae'],['Picconia'],['Picconia excelsa'],4,2,5.847682535648346 143174,6082,266,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,SCTDPJFVWAWKPB-JBKQMOEBSA-N,"InChI=1S/C24H28O10/c25-8-17-19(26)20(27)21(28)24(33-17)34-23-18-13(15(10-32-23)22(29)30)6-12-7-16(18)31-9-14(12)11-4-2-1-3-5-11/h1-5,9-10,12-13,16-21,23-28H,6-8H2,(H,29,30)/t12-,13-,16-,17-,18+,19-,20+,21-,23+,24+/m1/s1",O=C(O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1C[C@@H]1C[C@H]2OC=C1c1ccccc1,C24H28O10,pos_2_2proton2acetonitrile,476.1682470959998,SCTDPJFVWAWKPB,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],8,3,9.5 143157,6081,-1,,,,0.0,MS1_match,PLUVLWUSXQCTNH-UHFFFAOYSA-N,"InChI=1S/C15H20O3/c1-5-6-12-7-8-13(14(10-12)17-4)18-15(16)9-11(2)3/h5,7-8,10-11H,1,6,9H2,2-4H3",C=CCc1ccc(OC(=O)CC(C)C)c(OC)c1,C15H20O3,pos_1_minus1proton2sodium,248.1412445,PLUVLWUSXQCTNH,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 143158,6081,-1,,,,0.0,MS1_match,JGTLWLBBZPVAFK-UHFFFAOYSA-N,"InChI=1S/C27H36O14/c1-4-12-13(5-6-28)16(10-38-26(12)41-27-22(32)21(31)20(30)18(8-29)40-27)23(33)39-17-7-14-15(11(17)2)9-37-25(35)19(14)24(34)36-3/h4,6,10-15,17-22,26-27,29-32H,1,5,7-9H2,2-3H3",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC2CC3C(C(=O)OC)C(=O)OCC3C2C)C1CC=O,C27H36O14,pos_2_2proton,584.210505832,JGTLWLBBZPVAFK,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Dipsacus laciniatus,489131.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Dipsacus'],['Dipsacus laciniatus'],6,0,6.0 143159,6081,-1,,,,0.0,MS1_match,IAXYZHODIUFGKB-QFVDPHNQSA-N,"InChI=1S/C27H36O14/c1-4-12-13(5-6-28)15(10-38-26(12)41-27-22(32)21(31)20(30)18(8-29)40-27)24(34)39-17-7-14-16(23(33)36-3)9-37-25(35)19(14)11(17)2/h4,6,9-14,17-22,25-27,29-32,35H,1,5,7-8H2,2-3H3/t11-,12-,13-,14+,17-,18-,19-,20+,21-,22-,25+,26-,27-/m0/s1",C=C[C@@H]1[C@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)OC=C(C(=O)O[C@H]2C[C@@H]3C(C(=O)OC)=CO[C@@H](O)[C@H]3[C@H]2C)[C@H]1CC=O,C27H36O14,pos_2_2proton,584.210505832,IAXYZHODIUFGKB,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Dipsacus sylvestris,994148.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Dipsacus'],['Dipsacus fullonum'],6,0,6.0 143160,6081,-1,,,,0.0,MS1_match,IAXYZHODIUFGKB-QFVDPHNQSA-N,"InChI=1S/C27H36O14/c1-4-12-13(5-6-28)15(10-38-26(12)41-27-22(32)21(31)20(30)18(8-29)40-27)24(34)39-17-7-14-16(23(33)36-3)9-37-25(35)19(14)11(17)2/h4,6,9-14,17-22,25-27,29-32,35H,1,5,7-8H2,2-3H3/t11-,12-,13-,14+,17-,18-,19-,20+,21-,22-,25+,26-,27-/m0/s1",C=C[C@@H]1[C@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)OC=C(C(=O)O[C@H]2C[C@@H]3C(C(=O)OC)=CO[C@@H](O)[C@H]3[C@H]2C)[C@H]1CC=O,C27H36O14,pos_2_2proton,584.210505832,IAXYZHODIUFGKB,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Dipsacus fullonum,994148.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Dipsacus'],['Dipsacus fullonum'],6,0,6.0 143161,6081,-1,,,,0.0,MS1_match,IAXYZHODIUFGKB-CQWPOWKPSA-N,"InChI=1S/C27H36O14/c1-4-12-13(5-6-28)15(10-38-26(12)41-27-22(32)21(31)20(30)18(8-29)40-27)24(34)39-17-7-14-16(23(33)36-3)9-37-25(35)19(14)11(17)2/h4,6,9-14,17-22,25-27,29-32,35H,1,5,7-8H2,2-3H3/t11-,12+,13-,14+,17-,18+,19+,20+,21-,22+,25+,26-,27-/m0/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)O[C@H]2C[C@@H]3C(C(=O)OC)=CO[C@@H](O)[C@@H]3[C@H]2C)[C@H]1CC=O,C27H36O14,pos_2_2proton,584.2105058319999,IAXYZHODIUFGKB,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Dipsacus laciniatus,489131.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Dipsacus'],['Dipsacus laciniatus'],6,0,6.0 143162,6081,-1,,,,0.0,MS1_match,IAXYZHODIUFGKB-CQWPOWKPSA-N,"InChI=1S/C27H36O14/c1-4-12-13(5-6-28)15(10-38-26(12)41-27-22(32)21(31)20(30)18(8-29)40-27)24(34)39-17-7-14-16(23(33)36-3)9-37-25(35)19(14)11(17)2/h4,6,9-14,17-22,25-27,29-32,35H,1,5,7-8H2,2-3H3/t11-,12+,13-,14+,17-,18+,19+,20+,21-,22+,25+,26-,27-/m0/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)O[C@H]2C[C@@H]3C(C(=O)OC)=CO[C@@H](O)[C@@H]3[C@H]2C)[C@H]1CC=O,C27H36O14,pos_2_2proton,584.2105058319999,IAXYZHODIUFGKB,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Abelia chinensis,589178.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Abelia'],['Abelia chinensis'],6,0,6.0 143163,6081,-1,,,,0.0,MS1_match,IAXYZHODIUFGKB-QFVDPHNQSA-N,"InChI=1S/C27H36O14/c1-4-12-13(5-6-28)15(10-38-26(12)41-27-22(32)21(31)20(30)18(8-29)40-27)24(34)39-17-7-14-16(23(33)36-3)9-37-25(35)19(14)11(17)2/h4,6,9-14,17-22,25-27,29-32,35H,1,5,7-8H2,2-3H3/t11-,12-,13-,14+,17-,18-,19-,20+,21-,22-,25+,26-,27-/m0/s1",C=C[C@@H]1[C@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)OC=C(C(=O)O[C@H]2C[C@@H]3C(C(=O)OC)=CO[C@@H](O)[C@H]3[C@H]2C)[C@H]1CC=O,C27H36O14,pos_2_2proton,584.210505832,IAXYZHODIUFGKB,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Dipsacus sylvestris,994148.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Dipsacus'],['Dipsacus fullonum'],6,0,6.0 143164,6081,-1,,,,0.0,MS1_match,JGTLWLBBZPVAFK-UWFCLSDTSA-N,"InChI=1S/C27H36O14/c1-4-12-13(5-6-28)16(10-38-26(12)41-27-22(32)21(31)20(30)18(8-29)40-27)23(33)39-17-7-14-15(11(17)2)9-37-25(35)19(14)24(34)36-3/h4,6,10-15,17-22,26-27,29-32H,1,5,7-9H2,2-3H3/t11-,12+,13-,14-,15+,17+,18-,19-,20+,21+,22+,26+,27+/m1/s1",C=C[C@@H]1[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)OC=C(C(=O)O[C@H]2C[C@H]3[C@H](C(=O)OC)C(=O)OC[C@H]3[C@H]2C)[C@@H]1CC=O,C27H36O14,pos_2_2proton,584.210505832,JGTLWLBBZPVAFK,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Dipsacus fullonum,994148.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Dipsacus'],['Dipsacus fullonum'],6,0,6.0 143165,6081,-1,,,,0.0,MS1_match,IAXYZHODIUFGKB-QFVDPHNQSA-N,"InChI=1S/C27H36O14/c1-4-12-13(5-6-28)15(10-38-26(12)41-27-22(32)21(31)20(30)18(8-29)40-27)24(34)39-17-7-14-16(23(33)36-3)9-37-25(35)19(14)11(17)2/h4,6,9-14,17-22,25-27,29-32,35H,1,5,7-8H2,2-3H3/t11-,12-,13-,14+,17-,18-,19-,20+,21-,22-,25+,26-,27-/m0/s1",C=C[C@@H]1[C@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)OC=C(C(=O)O[C@H]2C[C@@H]3C(C(=O)OC)=CO[C@@H](O)[C@H]3[C@H]2C)[C@H]1CC=O,C27H36O14,pos_2_2proton,584.210505832,IAXYZHODIUFGKB,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Dipsacus fullonum,994148.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Dipsacus'],['Dipsacus fullonum'],6,0,6.0 143166,6081,-1,,,,0.0,MS1_match,IAXYZHODIUFGKB-CQWPOWKPSA-N,"InChI=1S/C27H36O14/c1-4-12-13(5-6-28)15(10-38-26(12)41-27-22(32)21(31)20(30)18(8-29)40-27)24(34)39-17-7-14-16(23(33)36-3)9-37-25(35)19(14)11(17)2/h4,6,9-14,17-22,25-27,29-32,35H,1,5,7-8H2,2-3H3/t11-,12+,13-,14+,17-,18+,19+,20+,21-,22+,25+,26-,27-/m0/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)O[C@H]2C[C@@H]3C(C(=O)OC)=CO[C@@H](O)[C@@H]3[C@H]2C)[C@H]1CC=O,C27H36O14,pos_2_2proton,584.2105058319999,IAXYZHODIUFGKB,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Abelia chinensis,589178.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Abelia'],['Abelia chinensis'],6,0,6.0 143167,6081,-1,,,,0.0,MS1_match,UOBZWMPWXPIGBV-UHFFFAOYSA-N,"InChI=1S/C15H20O3/c1-14(2)11-5-6-15(9-17)13(18-15)4-3-10(8-16)7-12(11)14/h7-9,11-13H,3-6H2,1-2H3",CC1(C)C2C=C(C=O)CCC3OC3(C=O)CCC21,C15H20O3,pos_1_minus1proton2sodium,248.1412445,UOBZWMPWXPIGBV,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 143168,6081,-1,,,,0.0,MS1_match,UOBZWMPWXPIGBV-UHFFFAOYSA-N,"InChI=1S/C15H20O3/c1-14(2)11-5-6-15(9-17)13(18-15)4-3-10(8-16)7-12(11)14/h7-9,11-13H,3-6H2,1-2H3",CC1(C)C2C=C(C=O)CCC3OC3(C=O)CCC21,C15H20O3,pos_1_minus1proton2sodium,248.1412445,UOBZWMPWXPIGBV,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,Valeriana dageletiana,7625130.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana dageletiana'],6,0,6.0 143169,6081,-1,,,,0.0,MS1_match,NGUGLLPTHUYIGI-CKRUZVNXSA-N,"InChI=1S/C15H20O3/c1-7-5-6-8-15(18-8)12(17)10(16)9-11(13(9,2)3)14(7,15)4/h7-9,11H,5-6H2,1-4H3/t7-,8+,9-,11+,14-,15-/m1/s1",C[C@@H]1CC[C@@H]2O[C@@]23C(=O)C(=O)[C@@H]2[C@@H](C2(C)C)[C@@]13C,C15H20O3,pos_1_minus1proton2sodium,248.1412445,NGUGLLPTHUYIGI,Terpenoids,Sesquiterpenoids,Aristolane sesquiterpenoids,Nardostachys jatamansi,24101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Nardostachys'],['Nardostachys jatamansi'],6,0,6.0 143170,6081,-1,,,,0.0,MS1_match,IAXYZHODIUFGKB-CQWPOWKPSA-N,"InChI=1S/C27H36O14/c1-4-12-13(5-6-28)15(10-38-26(12)41-27-22(32)21(31)20(30)18(8-29)40-27)24(34)39-17-7-14-16(23(33)36-3)9-37-25(35)19(14)11(17)2/h4,6,9-14,17-22,25-27,29-32,35H,1,5,7-8H2,2-3H3/t11-,12+,13-,14+,17-,18+,19+,20+,21-,22+,25+,26-,27-/m0/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)O[C@H]2C[C@@H]3C(C(=O)OC)=CO[C@@H](O)[C@@H]3[C@H]2C)[C@H]1CC=O,C27H36O14,pos_2_2proton,584.2105058319999,IAXYZHODIUFGKB,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Dipsacus laciniatus,489131.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Dipsacus'],['Dipsacus laciniatus'],6,0,6.0 143171,6081,-1,,,,0.0,MS1_match,JGTLWLBBZPVAFK-UWFCLSDTSA-N,"InChI=1S/C27H36O14/c1-4-12-13(5-6-28)16(10-38-26(12)41-27-22(32)21(31)20(30)18(8-29)40-27)23(33)39-17-7-14-15(11(17)2)9-37-25(35)19(14)24(34)36-3/h4,6,10-15,17-22,26-27,29-32H,1,5,7-9H2,2-3H3/t11-,12+,13-,14-,15+,17+,18-,19-,20+,21+,22+,26+,27+/m1/s1",C=C[C@@H]1[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)OC=C(C(=O)O[C@H]2C[C@H]3[C@H](C(=O)OC)C(=O)OC[C@H]3[C@H]2C)[C@@H]1CC=O,C27H36O14,pos_2_2proton,584.210505832,JGTLWLBBZPVAFK,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Dipsacus sylvestris,994148.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Dipsacus'],['Dipsacus fullonum'],6,0,6.0 143150,6080,-1,,,,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_1_1proton1ammonium,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera microphylla,980075.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera microphylla'],7,0,7.0 143149,6078,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.6501549,ISDB,,,,,,,LNKDQHNGMLFJHH,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.6006195545196533 143144,6077,-1,,,,0.0,MS1_match,RKWHWFONKJEUEF-WYFQJXRYSA-N,"InChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26)/t16-,17+,18+,19-,21?/m1/s1",[O-]c1cc(-c2[o+]c3cc(O)cc(O)c3cc2OC2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)ccc1O,C21H20O11,pos_1_1proton1isopropanol,448.10056146,RKWHWFONKJEUEF,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],7,0,7.0 143145,6077,-1,,,,0.0,MS1_match,RKWHWFONKJEUEF-WYFQJXRYSA-O,"InChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26)/p+1/t16-,17+,18+,19-,21?/m1/s1",OC[C@H]1OC(Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@H]1O,C21H21O11+,pos_1_1proton1isopropanol,449.10783791209,RKWHWFONKJEUEF,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Lonicera caucasica,5746390.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caucasica'],7,0,7.0 143146,6077,-1,,,,0.0,MS1_match,RKWHWFONKJEUEF-WYFQJXRYSA-N,"InChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26)/t16-,17+,18+,19-,21?/m1/s1",[O-]c1cc(-c2[o+]c3cc(O)cc(O)c3cc2OC2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)ccc1O,C21H20O11,pos_1_1proton1isopropanol,448.10056146,RKWHWFONKJEUEF,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],7,0,7.0 143147,6077,-1,,,,0.0,MS1_match,RKWHWFONKJEUEF-WYFQJXRYSA-O,"InChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26)/p+1/t16-,17+,18+,19-,21?/m1/s1",OC[C@H]1OC(Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@H]1O,C21H21O11+,pos_1_1proton1isopropanol,449.10783791209,RKWHWFONKJEUEF,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Lonicera caucasica,5746390.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caucasica'],7,0,7.0 143098,6074,108,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.44632643,ISDB,YSOBQIMODQOGKQ-HOZAMIDDSA-N,"InChI=1S/C19H26O12/c1-7(21)28-5-8-3-10(22)13-9(17(26)27-2)6-29-18(12(8)13)31-19-16(25)15(24)14(23)11(4-20)30-19/h3,6,10-16,18-20,22-25H,4-5H2,1-2H3/t10-,11+,12+,13-,14+,15-,16+,18-,19-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(COC(C)=O)=C[C@H](O)[C@H]12,C19H26O12,,446.1424262719998,YSOBQIMODQOGKQ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Oldenlandia herbacea var. herbacea,1062412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Spermacoceae'],['Oldenlandia'],['Oldenlandia herbacea'],4,3,7.285305738449097 143099,6074,108,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.44632643,ISDB,YSOBQIMODQOGKQ-UHFFFAOYSA-N,"InChI=1S/C19H26O12/c1-7(21)28-5-8-3-10(22)13-9(17(26)27-2)6-29-18(12(8)13)31-19-16(25)15(24)14(23)11(4-20)30-19/h3,6,10-16,18-20,22-25H,4-5H2,1-2H3",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(COC(C)=O)=CC(O)C12,C19H26O12,,446.142426272,YSOBQIMODQOGKQ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Oldenlandia diffusa,161897.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Spermacoceae'],['Oldenlandia'],['Oldenlandia diffusa'],4,3,7.285305738449097 143100,6074,108,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.44632643,ISDB,YSOBQIMODQOGKQ-HOZAMIDDSA-N,"InChI=1S/C19H26O12/c1-7(21)28-5-8-3-10(22)13-9(17(26)27-2)6-29-18(12(8)13)31-19-16(25)15(24)14(23)11(4-20)30-19/h3,6,10-16,18-20,22-25H,4-5H2,1-2H3/t10-,11+,12+,13-,14+,15-,16+,18-,19-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(COC(C)=O)=C[C@H](O)[C@H]12,C19H26O12,,446.1424262719998,YSOBQIMODQOGKQ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Spermacoce verticillata,606235.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Spermacoceae'],['Hedyotis'],['Hedyotis verticillata'],4,3,7.285305738449097 143101,6074,108,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.44632643,ISDB,YSOBQIMODQOGKQ-HOZAMIDDSA-N,"InChI=1S/C19H26O12/c1-7(21)28-5-8-3-10(22)13-9(17(26)27-2)6-29-18(12(8)13)31-19-16(25)15(24)14(23)11(4-20)30-19/h3,6,10-16,18-20,22-25H,4-5H2,1-2H3/t10-,11+,12+,13-,14+,15-,16+,18-,19-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(COC(C)=O)=C[C@H](O)[C@H]12,C19H26O12,,446.1424262719998,YSOBQIMODQOGKQ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Daphniphyllum himalense,5729568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Daphniphyllaceae'],['Unknown'],['Daphniphyllum'],['Daphniphyllum himalense'],4,3,7.285305738449097 143102,6074,108,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.44632643,ISDB,YSOBQIMODQOGKQ-HOZAMIDDSA-N,"InChI=1S/C19H26O12/c1-7(21)28-5-8-3-10(22)13-9(17(26)27-2)6-29-18(12(8)13)31-19-16(25)15(24)14(23)11(4-20)30-19/h3,6,10-16,18-20,22-25H,4-5H2,1-2H3/t10-,11+,12+,13-,14+,15-,16+,18-,19-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(COC(C)=O)=C[C@H](O)[C@H]12,C19H26O12,,446.1424262719998,YSOBQIMODQOGKQ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Daphniphyllum angustifolium,7050033.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Daphniphyllaceae'],['Unknown'],['Daphniphyllum'],['Daphniphyllum angustifolium'],4,3,7.285305738449097 143103,6074,108,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.44632643,ISDB,YSOBQIMODQOGKQ-HOZAMIDDSA-N,"InChI=1S/C19H26O12/c1-7(21)28-5-8-3-10(22)13-9(17(26)27-2)6-29-18(12(8)13)31-19-16(25)15(24)14(23)11(4-20)30-19/h3,6,10-16,18-20,22-25H,4-5H2,1-2H3/t10-,11+,12+,13-,14+,15-,16+,18-,19-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(COC(C)=O)=C[C@H](O)[C@H]12,C19H26O12,,446.1424262719998,YSOBQIMODQOGKQ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Daphniphyllum himalayense,559409.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Daphniphyllaceae'],['Unknown'],['Daphniphyllum'],['Daphniphyllum himalaense'],4,3,7.285305738449097 143104,6074,108,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.44632643,ISDB,YSOBQIMODQOGKQ-XYRJWDFLSA-N,"InChI=1S/C19H26O12/c1-7(21)28-5-8-3-10(22)13-9(17(26)27-2)6-29-18(12(8)13)31-19-16(25)15(24)14(23)11(4-20)30-19/h3,6,10-16,18-20,22-25H,4-5H2,1-2H3/t10-,11-,12-,13+,14-,15+,16-,18+,19+/m1/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(COC(C)=O)=C[C@@H](O)[C@H]12,C19H26O12,,446.142426272,YSOBQIMODQOGKQ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Daphniphyllum macropodum,828634.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Daphniphyllaceae'],['Unknown'],['Daphniphyllum'],['Daphniphyllum macropodum'],4,3,7.285305738449097 143105,6074,108,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.44632643,ISDB,YSOBQIMODQOGKQ-HOZAMIDDSA-N,"InChI=1S/C19H26O12/c1-7(21)28-5-8-3-10(22)13-9(17(26)27-2)6-29-18(12(8)13)31-19-16(25)15(24)14(23)11(4-20)30-19/h3,6,10-16,18-20,22-25H,4-5H2,1-2H3/t10-,11+,12+,13-,14+,15-,16+,18-,19-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(COC(C)=O)=C[C@H](O)[C@H]12,C19H26O12,,446.1424262719998,YSOBQIMODQOGKQ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Spermacoce latifolia,7053645.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Spermacoceae'],['Spermacoce'],['Spermacoce latifolia'],4,3,7.285305738449097 143106,6074,108,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.44632643,ISDB,YSOBQIMODQOGKQ-HOZAMIDDSA-N,"InChI=1S/C19H26O12/c1-7(21)28-5-8-3-10(22)13-9(17(26)27-2)6-29-18(12(8)13)31-19-16(25)15(24)14(23)11(4-20)30-19/h3,6,10-16,18-20,22-25H,4-5H2,1-2H3/t10-,11+,12+,13-,14+,15-,16+,18-,19-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(COC(C)=O)=C[C@H](O)[C@H]12,C19H26O12,,446.1424262719998,YSOBQIMODQOGKQ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Spermacoce alata,3871861.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Spermacoceae'],['Spermacoce'],['Spermacoce alata'],4,3,7.285305738449097 143107,6074,108,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.44632643,ISDB,YSOBQIMODQOGKQ-UHFFFAOYSA-N,"InChI=1S/C19H26O12/c1-7(21)28-5-8-3-10(22)13-9(17(26)27-2)6-29-18(12(8)13)31-19-16(25)15(24)14(23)11(4-20)30-19/h3,6,10-16,18-20,22-25H,4-5H2,1-2H3",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(COC(C)=O)=CC(O)C12,C19H26O12,,446.142426272,YSOBQIMODQOGKQ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Mycaranthes latifolia,3992452.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Podochileae'],['Eria'],['Eria iridifolia'],4,3,7.285305738449097 143108,6074,108,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.44632643,ISDB,YSOBQIMODQOGKQ-HOZAMIDDSA-N,"InChI=1S/C19H26O12/c1-7(21)28-5-8-3-10(22)13-9(17(26)27-2)6-29-18(12(8)13)31-19-16(25)15(24)14(23)11(4-20)30-19/h3,6,10-16,18-20,22-25H,4-5H2,1-2H3/t10-,11+,12+,13-,14+,15-,16+,18-,19-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(COC(C)=O)=C[C@H](O)[C@H]12,C19H26O12,,446.1424262719998,YSOBQIMODQOGKQ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Paederia foetida,716211.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Paederieae'],['Paederia'],['Paederia foetida'],4,3,7.285305738449097 143109,6074,108,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.44632643,ISDB,YSOBQIMODQOGKQ-HOZAMIDDSA-N,"InChI=1S/C19H26O12/c1-7(21)28-5-8-3-10(22)13-9(17(26)27-2)6-29-18(12(8)13)31-19-16(25)15(24)14(23)11(4-20)30-19/h3,6,10-16,18-20,22-25H,4-5H2,1-2H3/t10-,11+,12+,13-,14+,15-,16+,18-,19-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(COC(C)=O)=C[C@H](O)[C@H]12,C19H26O12,,446.1424262719998,YSOBQIMODQOGKQ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Paederia scandens,611353.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Paederieae'],['Paederia'],['Paederia scandens'],4,3,7.285305738449097 143110,6074,108,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.44632643,ISDB,YSOBQIMODQOGKQ-UHFFFAOYSA-N,"InChI=1S/C19H26O12/c1-7(21)28-5-8-3-10(22)13-9(17(26)27-2)6-29-18(12(8)13)31-19-16(25)15(24)14(23)11(4-20)30-19/h3,6,10-16,18-20,22-25H,4-5H2,1-2H3",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(COC(C)=O)=CC(O)C12,C19H26O12,,446.142426272,YSOBQIMODQOGKQ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Paederia,716213.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Paederieae'],['Paederia'],['Unknown'],4,3,7.285305738449097 143111,6074,108,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.44632643,ISDB,YSOBQIMODQOGKQ-UHFFFAOYSA-N,"InChI=1S/C19H26O12/c1-7(21)28-5-8-3-10(22)13-9(17(26)27-2)6-29-18(12(8)13)31-19-16(25)15(24)14(23)11(4-20)30-19/h3,6,10-16,18-20,22-25H,4-5H2,1-2H3",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(COC(C)=O)=CC(O)C12,C19H26O12,,446.142426272,YSOBQIMODQOGKQ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Galium verum,541023.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Rubieae'],['Galium'],['Galium verum'],4,3,7.285305738449097 143112,6074,108,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.44632643,ISDB,YSOBQIMODQOGKQ-HOZAMIDDSA-N,"InChI=1S/C19H26O12/c1-7(21)28-5-8-3-10(22)13-9(17(26)27-2)6-29-18(12(8)13)31-19-16(25)15(24)14(23)11(4-20)30-19/h3,6,10-16,18-20,22-25H,4-5H2,1-2H3/t10-,11+,12+,13-,14+,15-,16+,18-,19-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(COC(C)=O)=C[C@H](O)[C@H]12,C19H26O12,,446.1424262719998,YSOBQIMODQOGKQ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Oldenlandia hedyotidea,84591.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Spermacoceae'],['Oldenlandia'],['Oldenlandia hedyotidea'],4,3,7.285305738449097 143113,6074,108,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.44632643,ISDB,YSOBQIMODQOGKQ-UHFFFAOYSA-N,"InChI=1S/C19H26O12/c1-7(21)28-5-8-3-10(22)13-9(17(26)27-2)6-29-18(12(8)13)31-19-16(25)15(24)14(23)11(4-20)30-19/h3,6,10-16,18-20,22-25H,4-5H2,1-2H3",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(COC(C)=O)=CC(O)C12,C19H26O12,,446.142426272,YSOBQIMODQOGKQ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lasianthus,447902.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Lasiantheae'],['Lasianthus'],['Unknown'],4,3,7.285305738449097 143114,6074,108,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.44632643,ISDB,YSOBQIMODQOGKQ-HOZAMIDDSA-N,"InChI=1S/C19H26O12/c1-7(21)28-5-8-3-10(22)13-9(17(26)27-2)6-29-18(12(8)13)31-19-16(25)15(24)14(23)11(4-20)30-19/h3,6,10-16,18-20,22-25H,4-5H2,1-2H3/t10-,11+,12+,13-,14+,15-,16+,18-,19-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(COC(C)=O)=C[C@H](O)[C@H]12,C19H26O12,,446.1424262719998,YSOBQIMODQOGKQ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Escallonia myrtoidea,532769.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Escalloniales'],['Escalloniaceae'],['Unknown'],['Escallonia'],['Escallonia myrtoidea'],4,3,7.285305738449097 143115,6074,108,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.44632643,ISDB,YSOBQIMODQOGKQ-HOZAMIDDSA-N,"InChI=1S/C19H26O12/c1-7(21)28-5-8-3-10(22)13-9(17(26)27-2)6-29-18(12(8)13)31-19-16(25)15(24)14(23)11(4-20)30-19/h3,6,10-16,18-20,22-25H,4-5H2,1-2H3/t10-,11+,12+,13-,14+,15-,16+,18-,19-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(COC(C)=O)=C[C@H](O)[C@H]12,C19H26O12,,446.1424262719998,YSOBQIMODQOGKQ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Galium lovcense,3873065.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Rubieae'],['Galium'],['Galium lovcense'],4,3,7.285305738449097 143116,6074,108,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.44632643,ISDB,YSOBQIMODQOGKQ-HOZAMIDDSA-N,"InChI=1S/C19H26O12/c1-7(21)28-5-8-3-10(22)13-9(17(26)27-2)6-29-18(12(8)13)31-19-16(25)15(24)14(23)11(4-20)30-19/h3,6,10-16,18-20,22-25H,4-5H2,1-2H3/t10-,11+,12+,13-,14+,15-,16+,18-,19-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(COC(C)=O)=C[C@H](O)[C@H]12,C19H26O12,,446.1424262719998,YSOBQIMODQOGKQ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Galium humifusum,7053600.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Rubieae'],['Galium'],['Galium humifusum'],4,3,7.285305738449097 143117,6074,108,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.44632643,ISDB,YSOBQIMODQOGKQ-HOZAMIDDSA-N,"InChI=1S/C19H26O12/c1-7(21)28-5-8-3-10(22)13-9(17(26)27-2)6-29-18(12(8)13)31-19-16(25)15(24)14(23)11(4-20)30-19/h3,6,10-16,18-20,22-25H,4-5H2,1-2H3/t10-,11+,12+,13-,14+,15-,16+,18-,19-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(COC(C)=O)=C[C@H](O)[C@H]12,C19H26O12,,446.1424262719998,YSOBQIMODQOGKQ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Galium rhodopeum,3872802.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Rubieae'],['Galium'],['Galium rhodopeum'],4,3,7.285305738449097 143118,6074,108,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.44632643,ISDB,YSOBQIMODQOGKQ-HOZAMIDDSA-N,"InChI=1S/C19H26O12/c1-7(21)28-5-8-3-10(22)13-9(17(26)27-2)6-29-18(12(8)13)31-19-16(25)15(24)14(23)11(4-20)30-19/h3,6,10-16,18-20,22-25H,4-5H2,1-2H3/t10-,11+,12+,13-,14+,15-,16+,18-,19-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(COC(C)=O)=C[C@H](O)[C@H]12,C19H26O12,,446.1424262719998,YSOBQIMODQOGKQ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Crucianella graeca,3872711.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Rubieae'],['Crucianella'],['Crucianella graeca'],4,3,7.285305738449097 143119,6074,108,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.44632643,ISDB,YSOBQIMODQOGKQ-HOZAMIDDSA-N,"InChI=1S/C19H26O12/c1-7(21)28-5-8-3-10(22)13-9(17(26)27-2)6-29-18(12(8)13)31-19-16(25)15(24)14(23)11(4-20)30-19/h3,6,10-16,18-20,22-25H,4-5H2,1-2H3/t10-,11+,12+,13-,14+,15-,16+,18-,19-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(COC(C)=O)=C[C@H](O)[C@H]12,C19H26O12,,446.1424262719998,YSOBQIMODQOGKQ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Cruciata laevipes,442651.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Rubieae'],['Cruciata'],['Cruciata laevipes'],4,3,7.285305738449097 143120,6074,108,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.44632643,ISDB,YSOBQIMODQOGKQ-HOZAMIDDSA-N,"InChI=1S/C19H26O12/c1-7(21)28-5-8-3-10(22)13-9(17(26)27-2)6-29-18(12(8)13)31-19-16(25)15(24)14(23)11(4-20)30-19/h3,6,10-16,18-20,22-25H,4-5H2,1-2H3/t10-,11+,12+,13-,14+,15-,16+,18-,19-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(COC(C)=O)=C[C@H](O)[C@H]12,C19H26O12,,446.1424262719998,YSOBQIMODQOGKQ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Cruciata pedemontana,221977.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Rubieae'],['Cruciata'],['Cruciata pedemontana'],4,3,7.285305738449097 143121,6074,108,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.44632643,ISDB,YSOBQIMODQOGKQ-HOZAMIDDSA-N,"InChI=1S/C19H26O12/c1-7(21)28-5-8-3-10(22)13-9(17(26)27-2)6-29-18(12(8)13)31-19-16(25)15(24)14(23)11(4-20)30-19/h3,6,10-16,18-20,22-25H,4-5H2,1-2H3/t10-,11+,12+,13-,14+,15-,16+,18-,19-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(COC(C)=O)=C[C@H](O)[C@H]12,C19H26O12,,446.1424262719998,YSOBQIMODQOGKQ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Galium aegeum,3873173.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Rubieae'],['Galium'],['Galium aegeum'],4,3,7.285305738449097 143122,6074,108,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.44632643,ISDB,YSOBQIMODQOGKQ-HOZAMIDDSA-N,"InChI=1S/C19H26O12/c1-7(21)28-5-8-3-10(22)13-9(17(26)27-2)6-29-18(12(8)13)31-19-16(25)15(24)14(23)11(4-20)30-19/h3,6,10-16,18-20,22-25H,4-5H2,1-2H3/t10-,11+,12+,13-,14+,15-,16+,18-,19-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(COC(C)=O)=C[C@H](O)[C@H]12,C19H26O12,,446.1424262719998,YSOBQIMODQOGKQ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Galium album,807617.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Rubieae'],['Galium'],['Galium album'],4,3,7.285305738449097 143123,6074,108,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.44632643,ISDB,YSOBQIMODQOGKQ-HOZAMIDDSA-N,"InChI=1S/C19H26O12/c1-7(21)28-5-8-3-10(22)13-9(17(26)27-2)6-29-18(12(8)13)31-19-16(25)15(24)14(23)11(4-20)30-19/h3,6,10-16,18-20,22-25H,4-5H2,1-2H3/t10-,11+,12+,13-,14+,15-,16+,18-,19-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(COC(C)=O)=C[C@H](O)[C@H]12,C19H26O12,,446.1424262719998,YSOBQIMODQOGKQ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Galium macedonicum,3872925.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Rubieae'],['Galium'],['Galium macedonicum'],4,3,7.285305738449097 143124,6074,108,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.44632643,ISDB,YSOBQIMODQOGKQ-HOZAMIDDSA-N,"InChI=1S/C19H26O12/c1-7(21)28-5-8-3-10(22)13-9(17(26)27-2)6-29-18(12(8)13)31-19-16(25)15(24)14(23)11(4-20)30-19/h3,6,10-16,18-20,22-25H,4-5H2,1-2H3/t10-,11+,12+,13-,14+,15-,16+,18-,19-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(COC(C)=O)=C[C@H](O)[C@H]12,C19H26O12,,446.1424262719998,YSOBQIMODQOGKQ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Globularia bisnagarica,7053916.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Globularieae'],['Globularia'],['Globularia bisnagarica'],4,3,7.285305738449097 143125,6074,108,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.44632643,ISDB,YSOBQIMODQOGKQ-HOZAMIDDSA-N,"InChI=1S/C19H26O12/c1-7(21)28-5-8-3-10(22)13-9(17(26)27-2)6-29-18(12(8)13)31-19-16(25)15(24)14(23)11(4-20)30-19/h3,6,10-16,18-20,22-25H,4-5H2,1-2H3/t10-,11+,12+,13-,14+,15-,16+,18-,19-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(COC(C)=O)=C[C@H](O)[C@H]12,C19H26O12,,446.1424262719998,YSOBQIMODQOGKQ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Galium mirum,3873051.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Rubieae'],['Galium'],['Galium mirum'],4,3,7.285305738449097 143126,6074,108,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.44632643,ISDB,YSOBQIMODQOGKQ-UHFFFAOYSA-N,"InChI=1S/C19H26O12/c1-7(21)28-5-8-3-10(22)13-9(17(26)27-2)6-29-18(12(8)13)31-19-16(25)15(24)14(23)11(4-20)30-19/h3,6,10-16,18-20,22-25H,4-5H2,1-2H3",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(COC(C)=O)=CC(O)C12,C19H26O12,,446.142426272,YSOBQIMODQOGKQ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Globularia vulgaris,5783296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Globularieae'],['Globularia'],['Globularia vulgaris'],4,3,7.285305738449097 143127,6074,108,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.44632643,ISDB,YSOBQIMODQOGKQ-HOZAMIDDSA-N,"InChI=1S/C19H26O12/c1-7(21)28-5-8-3-10(22)13-9(17(26)27-2)6-29-18(12(8)13)31-19-16(25)15(24)14(23)11(4-20)30-19/h3,6,10-16,18-20,22-25H,4-5H2,1-2H3/t10-,11+,12+,13-,14+,15-,16+,18-,19-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(COC(C)=O)=C[C@H](O)[C@H]12,C19H26O12,,446.1424262719998,YSOBQIMODQOGKQ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lamium amplexicaule,907329.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Lamieae'],['Lamium'],['Lamium amplexicaule'],4,3,7.285305738449097 143128,6074,108,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.44632643,ISDB,YSOBQIMODQOGKQ-HOZAMIDDSA-N,"InChI=1S/C19H26O12/c1-7(21)28-5-8-3-10(22)13-9(17(26)27-2)6-29-18(12(8)13)31-19-16(25)15(24)14(23)11(4-20)30-19/h3,6,10-16,18-20,22-25H,4-5H2,1-2H3/t10-,11+,12+,13-,14+,15-,16+,18-,19-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(COC(C)=O)=C[C@H](O)[C@H]12,C19H26O12,,446.1424262719998,YSOBQIMODQOGKQ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Galium mollugo,720440.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Rubieae'],['Galium'],['Galium mollugo'],4,3,7.285305738449097 143129,6074,108,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.44632643,ISDB,YSOBQIMODQOGKQ-UHFFFAOYSA-N,"InChI=1S/C19H26O12/c1-7(21)28-5-8-3-10(22)13-9(17(26)27-2)6-29-18(12(8)13)31-19-16(25)15(24)14(23)11(4-20)30-19/h3,6,10-16,18-20,22-25H,4-5H2,1-2H3",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(COC(C)=O)=CC(O)C12,C19H26O12,,446.142426272,YSOBQIMODQOGKQ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Globularia punctata,150364.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Globularieae'],['Globularia'],['Globularia punctata'],4,3,7.285305738449097 143015,6072,1267,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.4419729,ISDB,DKGYTSKPMLWLEI-FIZOKRMRSA-N,"InChI=1S/C10H14O4/c1-5-2-3-6-7(9(11)12)4-14-10(13)8(5)6/h4-6,8,10,13H,2-3H2,1H3,(H,11,12)/t5-,6+,8+,10+/m0/s1",C[C@H]1CC[C@@H]2C(C(=O)O)=CO[C@@H](O)[C@@H]21,C10H14O4,,198.089208928,DKGYTSKPMLWLEI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,10.267891645431519 143008,6070,86,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,CVNWHGNSIXIBPG-GWKMRXIPSA-N,"InChI=1S/C20H24O5/c1-5-17(14-25-19(21)13-15(2)3)20(22)24-12-6-7-16-8-10-18(23-4)11-9-16/h5-11,13H,12,14H2,1-4H3/b7-6+,17-5-",C/C=C(/COC(=O)C=C(C)C)C(=O)OC/C=C/c1ccc(OC)cc1,C20H24O5,pos_1_1proton1methanol,344.162373868,CVNWHGNSIXIBPG,,,,Morina chinensis,68249.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Morina'],['Morina chinensis'],6,0,6.0 143009,6070,86,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,OOFFFDNFBGROFL-WYWILGHBSA-N,"InChI=1S/C20H24O5/c1-5-15(2)19(21)25-14-12-16(3)20(22)24-13-6-7-17-8-10-18(23-4)11-9-17/h5-12H,13-14H2,1-4H3/b7-6+,15-5-,16-12-",C/C=C(/C)C(=O)OC/C=C(/C)C(=O)OC/C=C/c1ccc(OC)cc1,C20H24O5,pos_1_1proton1methanol,344.162373868,OOFFFDNFBGROFL,,,,Morina chinensis,68249.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Morina'],['Morina chinensis'],6,0,6.0 143010,6070,86,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,KRXLVSZOLMEYHF-SUOLFYLESA-N,"InChI=1S/C20H24O5/c1-5-15(3)19(21)25-14-17(6-2)20(22)24-13-7-8-16-9-11-18(23-4)12-10-16/h5-12H,13-14H2,1-4H3/b8-7+,15-5-,17-6-",C/C=C(/C)C(=O)OC/C(=C/C)C(=O)OC/C=C/c1ccc(OC)cc1,C20H24O5,pos_1_1proton1methanol,344.162373868,KRXLVSZOLMEYHF,,,,Morina chinensis,68249.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Morina'],['Morina chinensis'],6,0,6.0 143011,6070,86,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,KRXLVSZOLMEYHF-UHFFFAOYSA-N,"InChI=1S/C20H24O5/c1-5-15(3)19(21)25-14-17(6-2)20(22)24-13-7-8-16-9-11-18(23-4)12-10-16/h5-12H,13-14H2,1-4H3",CC=C(C)C(=O)OCC(=CC)C(=O)OCC=Cc1ccc(OC)cc1,C20H24O5,pos_1_1proton1methanol,344.162373868,KRXLVSZOLMEYHF,,,,Cryptothladia chinensis,68249.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Morina'],['Morina chinensis'],6,0,6.0 143012,6070,86,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,CTNJQMRGPONFBS-DENIDVDHSA-N,"InChI=1S/C21H28O6/c1-6-17(14-27-20(22)12-15(2)3)21(23)26-11-7-8-16-9-10-18(24-4)19(13-16)25-5/h6-10,13,15H,11-12,14H2,1-5H3/b8-7+,17-6-",C/C=C(/COC(=O)CC(C)C)C(=O)OC/C=C/c1ccc(OC)c(OC)c1,C21H28O6,pos_1_1proton,376.188588616,CTNJQMRGPONFBS,Fatty acids,Fatty esters,Wax monoesters,Morina chinensis,68249.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Morina'],['Morina chinensis'],6,0,6.0 143007,6069,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.7379698,ISDB,,,,,,,IZAXLQJAMBHSAA,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.9518792629241943 142995,6067,1019,Amino acids and Peptides,Coumarins,Cyanogenic glycosides,0.35499454,ISDB,QOJMEKKFSSPMRF-RKQHYHRCSA-N,"InChI=1S/C14H17NO6/c15-6-5-8-1-3-9(4-2-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-4,10-14,16-19H,5,7H2/t10-,11-,12+,13-,14-/m1/s1",N#CCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,C14H17NO6,,295.105587264,QOJMEKKFSSPMRF,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Hydrangea macrophylla,162001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Hydrangeaceae'],['Hydrangeeae'],['Hydrangea'],['Hydrangea macrophylla'],4,3,6.919978141784668 142992,6066,1691,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,RODXRVNMMDRFIK-UHFFFAOYSA-N,"InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3",COc1cc2ccc(=O)oc2cc1O,C10H8O4,pos_2MH,192.042258736,RODXRVNMMDRFIK,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Lonicera hypoleuca,5746397.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera hypoleuca'],7,3,8.5 142989,6065,397,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LUDMVJVLHCEECS-PXKJKYEHSA-N,"InChI=1S/C27H42O12/c1-14(2)8-20(30)38-22(16(5)6)24(32)35-11-18-12-36-25(39-21(31)9-15(3)4)23-26(18,33)10-19(29)27(23,34)13-37-17(7)28/h12,14-16,19,22-23,25,29,33-34H,8-11,13H2,1-7H3/t19-,22+,23-,25-,26-,27+/m0/s1",CC(=O)OC[C@]1(O)[C@H]2[C@H](OC(=O)CC(C)C)OC=C(COC(=O)[C@H](OC(=O)CC(C)C)C(C)C)[C@@]2(O)C[C@@H]1O,C27H42O12,pos_1_sodium,558.267626784,LUDMVJVLHCEECS,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,3,7.5 142990,6065,397,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LUDMVJVLHCEECS-UHFFFAOYSA-N,"InChI=1S/C27H42O12/c1-14(2)8-20(30)38-22(16(5)6)24(32)35-11-18-12-36-25(39-21(31)9-15(3)4)23-26(18,33)10-19(29)27(23,34)13-37-17(7)28/h12,14-16,19,22-23,25,29,33-34H,8-11,13H2,1-7H3",CC(=O)OCC1(O)C(O)CC2(O)C(COC(=O)C(OC(=O)CC(C)C)C(C)C)=COC(OC(=O)CC(C)C)C21,C27H42O12,pos_1_sodium,558.267626784,LUDMVJVLHCEECS,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana,393345.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Unknown'],6,3,7.5 142991,6065,397,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LUDMVJVLHCEECS-HXTWUXIJSA-N,"InChI=1S/C27H42O12/c1-14(2)8-20(30)38-22(16(5)6)24(32)35-11-18-12-36-25(39-21(31)9-15(3)4)23-26(18,33)10-19(29)27(23,34)13-37-17(7)28/h12,14-16,19,22-23,25,29,33-34H,8-11,13H2,1-7H3/t19-,22-,23-,25-,26-,27-/m0/s1",CC(=O)OC[C@@]1(O)[C@H]2[C@H](OC(=O)CC(C)C)OC=C(COC(=O)[C@@H](OC(=O)CC(C)C)C(C)C)[C@@]2(O)C[C@@H]1O,C27H42O12,pos_1_sodium,558.267626784,LUDMVJVLHCEECS,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,3,7.5 142972,6063,86,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,NGYOKRAMXZLLQJ-FXNOOZBWSA-N,"InChI=1S/C32H50O18/c1-12(2)5-17(34)46-11-32(42)20-19(27-28(32)50-27)14(8-43-29(20)49-18(35)6-13(3)4)9-44-30-26(41)24(39)22(37)16(48-30)10-45-31-25(40)23(38)21(36)15(7-33)47-31/h8,12-13,15-16,19-31,33,36-42H,5-7,9-11H2,1-4H3/t15-,16+,19-,20-,21-,22+,23+,24-,25-,26+,27+,28+,29+,30+,31-,32-/m1/s1",CC(C)CC(=O)OC[C@@]1(O)[C@H]2[C@H](OC(=O)CC(C)C)OC=C(CO[C@H]3O[C@@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@@H](O)[C@@H]3O)[C@H]2[C@@H]2O[C@@H]21,C32H50O18,pos_2_1proton1sodium,722.29971476,NGYOKRAMXZLLQJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana fauriei,228778.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana fauriei'],6,2,7.0 142973,6063,86,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,NGYOKRAMXZLLQJ-FXNOOZBWSA-N,"InChI=1S/C32H50O18/c1-12(2)5-17(34)46-11-32(42)20-19(27-28(32)50-27)14(8-43-29(20)49-18(35)6-13(3)4)9-44-30-26(41)24(39)22(37)16(48-30)10-45-31-25(40)23(38)21(36)15(7-33)47-31/h8,12-13,15-16,19-31,33,36-42H,5-7,9-11H2,1-4H3/t15-,16+,19-,20-,21-,22+,23+,24-,25-,26+,27+,28+,29+,30+,31-,32-/m1/s1",CC(C)CC(=O)OC[C@@]1(O)[C@H]2[C@H](OC(=O)CC(C)C)OC=C(CO[C@H]3O[C@@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@@H](O)[C@@H]3O)[C@H]2[C@@H]2O[C@@H]21,C32H50O18,pos_2_1proton1sodium,722.29971476,NGYOKRAMXZLLQJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,2,7.0 142970,6061,86,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,OEVPPNBQSYOUCV-HXTWUXIJSA-N,"InChI=1S/C27H41ClO11/c1-14(2)8-20(30)38-22(16(5)6)24(32)35-11-18-12-36-25(39-21(31)9-15(3)4)23-26(18,33)10-19(37-17(7)29)27(23,34)13-28/h12,14-16,19,22-23,25,33-34H,8-11,13H2,1-7H3/t19-,22-,23-,25-,26-,27-/m0/s1",CC(=O)O[C@H]1C[C@]2(O)C(COC(=O)[C@@H](OC(=O)CC(C)C)C(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@]1(O)CCl,C27H41ClO11,pos_1_1proton1dmso,576.233739812,OEVPPNBQSYOUCV,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,2,7.0 142971,6061,86,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,OEVPPNBQSYOUCV-PXKJKYEHSA-N,"InChI=1S/C27H41ClO11/c1-14(2)8-20(30)38-22(16(5)6)24(32)35-11-18-12-36-25(39-21(31)9-15(3)4)23-26(18,33)10-19(37-17(7)29)27(23,34)13-28/h12,14-16,19,22-23,25,33-34H,8-11,13H2,1-7H3/t19-,22+,23-,25-,26-,27+/m0/s1",CC(=O)O[C@H]1C[C@]2(O)C(COC(=O)[C@H](OC(=O)CC(C)C)C(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]1(O)CCl,C27H41ClO11,pos_1_1proton1dmso,576.233739812,OEVPPNBQSYOUCV,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,2,7.0 142963,6058,397,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.35237202,ISDB,TVFBTTNICRJUHG-NXXWKTOVSA-N,"InChI=1S/C29H38O12/c1-13(30)38-18(12-19(32)37-7)27(5)15-8-9-26(4)21(14-10-20(33)39-23(14)34)40-24(35)22-29(26,41-22)28(15,6)17(31)11-16(27)25(2,3)36/h10,15-16,18,20-22,33,36H,8-9,11-12H2,1-7H3/t15-,16+,18+,20+,21+,22-,26+,27-,28+,29-/m1/s1",COC(=O)C[C@H](OC(C)=O)[C@]1(C)[C@H]2CC[C@@]3(C)[C@H](C4=C[C@@H](O)OC4=O)OC(=O)[C@H]4O[C@]43[C@]2(C)C(=O)C[C@H]1C(C)(C)O,C29H38O12,,578.236326656,TVFBTTNICRJUHG,Terpenoids,Triterpenoids,Limonoids,Citrus sudachi,83857.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Citrus'],['Citrus sudachi'],4,1,5.909488081932068 142964,6058,397,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.35237202,ISDB,TVFBTTNICRJUHG-NXXWKTOVSA-N,"InChI=1S/C29H38O12/c1-13(30)38-18(12-19(32)37-7)27(5)15-8-9-26(4)21(14-10-20(33)39-23(14)34)40-24(35)22-29(26,41-22)28(15,6)17(31)11-16(27)25(2,3)36/h10,15-16,18,20-22,33,36H,8-9,11-12H2,1-7H3/t15-,16+,18+,20+,21+,22-,26+,27-,28+,29-/m1/s1",COC(=O)C[C@H](OC(C)=O)[C@]1(C)[C@H]2CC[C@@]3(C)[C@H](C4=C[C@@H](O)OC4=O)OC(=O)[C@H]4O[C@]43[C@]2(C)C(=O)C[C@H]1C(C)(C)O,C29H38O12,,578.236326656,TVFBTTNICRJUHG,Terpenoids,Triterpenoids,Limonoids,Citrus medica,798604.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Citrus'],['Citrus medica'],4,1,5.909488081932068 142965,6058,397,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.35237202,ISDB,TVFBTTNICRJUHG-NXXWKTOVSA-N,"InChI=1S/C29H38O12/c1-13(30)38-18(12-19(32)37-7)27(5)15-8-9-26(4)21(14-10-20(33)39-23(14)34)40-24(35)22-29(26,41-22)28(15,6)17(31)11-16(27)25(2,3)36/h10,15-16,18,20-22,33,36H,8-9,11-12H2,1-7H3/t15-,16+,18+,20+,21+,22-,26+,27-,28+,29-/m1/s1",COC(=O)C[C@H](OC(C)=O)[C@]1(C)[C@H]2CC[C@@]3(C)[C@H](C4=C[C@@H](O)OC4=O)OC(=O)[C@H]4O[C@]43[C@]2(C)C(=O)C[C@H]1C(C)(C)O,C29H38O12,,578.236326656,TVFBTTNICRJUHG,Terpenoids,Triterpenoids,Limonoids,Citrus medica var. sarcodactylis,321680.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Citrus'],['Citrus medica'],4,1,5.909488081932068 142962,6055,80,Terpenoids,Tryptophan alkaloids,Carbazole alkaloids,0.0,MS1_match,AQOVEYNSQFBSQX-STMBSLSDSA-N,"InChI=1S/C16H20O5/c1-4-13(11-17)16(18)21-9-5-6-12-7-8-14(19-2)15(10-12)20-3/h4-8,10,17H,9,11H2,1-3H3/b6-5+,13-4-",C/C=C(/CO)C(=O)OC/C=C/c1ccc(OC)c(OC)c1,C16H20O5,pos_2MNa,292.13107374,AQOVEYNSQFBSQX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Morina chinensis,68249.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Morina'],['Morina chinensis'],6,0,6.0 142465,6052,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.30625948,ISDB,GUZAIURHRDPBKE-HIEJAJBWSA-N,"InChI=1S/C30H46O3/c1-17(2)18-9-12-22-29(18,7)25(33)16-28(6)19-10-11-21-26(3,4)23(31)13-14-27(21,5)20(19)15-24(32)30(22,28)8/h10,15,17-18,21-23,25,31,33H,9,11-14,16H2,1-8H3/t18-,21+,22-,23-,25-,27-,28-,29-,30-/m1/s1",CC(C)[C@H]1CC[C@@H]2[C@]1(C)[C@H](O)C[C@]1(C)C3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)C3=CC(=O)[C@@]21C,C30H46O3,,454.344695332,GUZAIURHRDPBKE,Terpenoids,Triterpenoids,Fernane and Arborinane triterpenoids,Lonicera gracilipes,920854.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera gracilipes'],7,2,9.225037932395935 142463,6051,-1,,,,0.0,MS1_match,ZZWPMFROUHHAKY-CDVBAKLBSA-O,"InChI=1S/C22H22O11/c1-30-15-4-9(2-3-12(15)25)21-16(7-11-13(26)5-10(24)6-14(11)31-21)32-22-20(29)19(28)18(27)17(8-23)33-22/h2-7,17-20,22-23,27-29H,8H2,1H3,(H2-,24,25,26)/p+1/t17-,18-,19-,20-,22-/m1/s1",COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)ccc1O,C22H23O11+,pos_1_1proton2acetonitrile,463.12348797609,ZZWPMFROUHHAKY,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],7,0,7.0 142464,6051,-1,,,,0.0,MS1_match,ZZWPMFROUHHAKY-CDVBAKLBSA-O,"InChI=1S/C22H22O11/c1-30-15-4-9(2-3-12(15)25)21-16(7-11-13(26)5-10(24)6-14(11)31-21)32-22-20(29)19(28)18(27)17(8-23)33-22/h2-7,17-20,22-23,27-29H,8H2,1H3,(H2-,24,25,26)/p+1/t17-,18-,19-,20-,22-/m1/s1",COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)ccc1O,C22H23O11+,pos_1_1proton2acetonitrile,463.12348797609,ZZWPMFROUHHAKY,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],7,0,7.0 142455,6047,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,MBNGWHIJMBWFHU-UHFFFAOYSA-N,"InChI=1S/C16H12O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-7,17-19H,1H3",COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1O,C16H12O6,pos_1_1proton,300.063388104,MBNGWHIJMBWFHU,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Valeriana rossica,6061718.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana rossica'],6,2,7.0 142456,6047,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,MBNGWHIJMBWFHU-UHFFFAOYSA-N,"InChI=1S/C16H12O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-7,17-19H,1H3",COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1O,C16H12O6,pos_1_1proton,300.063388104,MBNGWHIJMBWFHU,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Valeriana amurensis,245959.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana amurensis'],6,2,7.0 142457,6047,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,MBNGWHIJMBWFHU-UHFFFAOYSA-N,"InChI=1S/C16H12O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-7,17-19H,1H3",COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1O,C16H12O6,pos_1_1proton,300.063388104,MBNGWHIJMBWFHU,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Valeriana eriophylla,6061633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana eriophylla'],6,2,7.0 142458,6047,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,MBNGWHIJMBWFHU-UHFFFAOYSA-N,"InChI=1S/C16H12O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-7,17-19H,1H3",COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1O,C16H12O6,pos_1_1proton,300.063388104,MBNGWHIJMBWFHU,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Valeriana cardamines,6061598.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana cardamines'],6,2,7.0 142459,6047,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,MBNGWHIJMBWFHU-UHFFFAOYSA-N,"InChI=1S/C16H12O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-7,17-19H,1H3",COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1O,C16H12O6,pos_1_1proton,300.063388104,MBNGWHIJMBWFHU,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Valeriana ficariifolia,5746450.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana ficariifolia'],6,2,7.0 142460,6047,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,MBNGWHIJMBWFHU-UHFFFAOYSA-N,"InChI=1S/C16H12O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-7,17-19H,1H3",COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1O,C16H12O6,pos_1_1proton,300.063388104,MBNGWHIJMBWFHU,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Valeriana chionophila,6061606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana chionophila'],6,2,7.0 142461,6047,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,MBNGWHIJMBWFHU-UHFFFAOYSA-N,"InChI=1S/C16H12O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-7,17-19H,1H3",COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1O,C16H12O6,pos_1_1proton,300.063388104,MBNGWHIJMBWFHU,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Valeriana fedtschenkoi,139316.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana longiflora'],6,2,7.0 142462,6047,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,MBNGWHIJMBWFHU-UHFFFAOYSA-N,"InChI=1S/C16H12O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-7,17-19H,1H3",COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1O,C16H12O6,pos_1_1proton,300.063388104,MBNGWHIJMBWFHU,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Valeriana laxiflora,844983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana laxiflora'],6,2,7.0 141585,6046,1369,Terpenoids,Monoterpenoids,Pinane monoterpenoids,0.42160156,ISDB,TVGPYTOYKLZBPA-UHFFFAOYSA-N,"InChI=1S/C15H24O2/c1-10(2)7-14(16)17-9-11-5-6-12-8-13(11)15(12,3)4/h5,10,12-13H,6-9H2,1-4H3",CC(C)CC(=O)OCC1=CCC2CC1C2(C)C,C15H24O2,,236.177630008,TVGPYTOYKLZBPA,Terpenoids,Monoterpenoids,Pinane monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,3,9.186406254768372 141570,6042,-1,,,,0.21432738,ISDB,,,,,,,PFUAPHKFBUJYBS,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.8573095202445984 141564,6041,195,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,HUVIXLWRQSMCLN-PXRCHJMLSA-N,"InChI=1S/C19H30O11/c1-5-9-10(6-13(25-2)26-3)11(17(24)27-4)8-28-18(9)30-19-16(23)15(22)14(21)12(7-20)29-19/h5,8-10,12-16,18-23H,1,6-7H2,2-4H3/t9-,10+,12-,14-,15+,16-,18+,19+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC(OC)OC,C19H30O11,pos_1_1proton1acetonitrile,434.1788117799998,HUVIXLWRQSMCLN,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],7,0,7.0 141565,6041,195,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,HUVIXLWRQSMCLN-PXRCHJMLSA-N,"InChI=1S/C19H30O11/c1-5-9-10(6-13(25-2)26-3)11(17(24)27-4)8-28-18(9)30-19-16(23)15(22)14(21)12(7-20)29-19/h5,8-10,12-16,18-23H,1,6-7H2,2-4H3/t9-,10+,12-,14-,15+,16-,18+,19+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC(OC)OC,C19H30O11,pos_1_1proton1acetonitrile,434.1788117799998,HUVIXLWRQSMCLN,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 141566,6041,195,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,HUVIXLWRQSMCLN-UHFFFAOYSA-N,"InChI=1S/C19H30O11/c1-5-9-10(6-13(25-2)26-3)11(17(24)27-4)8-28-18(9)30-19-16(23)15(22)14(21)12(7-20)29-19/h5,8-10,12-16,18-23H,1,6-7H2,2-4H3",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC(OC)OC,C19H30O11,pos_1_1proton1acetonitrile,434.17881178,HUVIXLWRQSMCLN,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera,649885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Unknown'],7,0,7.0 141567,6041,195,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,HUVIXLWRQSMCLN-PXRCHJMLSA-N,"InChI=1S/C19H30O11/c1-5-9-10(6-13(25-2)26-3)11(17(24)27-4)8-28-18(9)30-19-16(23)15(22)14(21)12(7-20)29-19/h5,8-10,12-16,18-23H,1,6-7H2,2-4H3/t9-,10+,12-,14-,15+,16-,18+,19+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC(OC)OC,C19H30O11,pos_1_1proton1acetonitrile,434.1788117799998,HUVIXLWRQSMCLN,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],7,0,7.0 141568,6041,195,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,HUVIXLWRQSMCLN-PXRCHJMLSA-N,"InChI=1S/C19H30O11/c1-5-9-10(6-13(25-2)26-3)11(17(24)27-4)8-28-18(9)30-19-16(23)15(22)14(21)12(7-20)29-19/h5,8-10,12-16,18-23H,1,6-7H2,2-4H3/t9-,10+,12-,14-,15+,16-,18+,19+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC(OC)OC,C19H30O11,pos_1_1proton1acetonitrile,434.1788117799998,HUVIXLWRQSMCLN,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 141569,6041,195,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,HUVIXLWRQSMCLN-UHFFFAOYSA-N,"InChI=1S/C19H30O11/c1-5-9-10(6-13(25-2)26-3)11(17(24)27-4)8-28-18(9)30-19-16(23)15(22)14(21)12(7-20)29-19/h5,8-10,12-16,18-23H,1,6-7H2,2-4H3",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC(OC)OC,C19H30O11,pos_1_1proton1acetonitrile,434.17881178,HUVIXLWRQSMCLN,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera,649885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Unknown'],7,0,7.0 141561,6040,-1,,,,0.3780985,ISDB,LGFCSRDJBFILEF-UHFFFAOYSA-N,"InChI=1S/C18H19NO6/c1-19(9-20)16-6-12(22-2)3-4-18(16)13-7-15-14(24-10-25-15)5-11(13)8-23-17(18)21/h3-5,7,9,12,16H,6,8,10H2,1-2H3",COC1C=CC2(C(=O)OCc3cc4c(cc32)OCO4)C(N(C)C=O)C1,C18H19NO6,,345.121237328,LGFCSRDJBFILEF,,,,Narcissus,592259.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Unknown'],['Narcissus'],['Unknown'],4,0,5.512393951416016 141546,6036,-1,,,,0.0,MS1_match,TYWXNGXVSZRXNA-NVZSGMJQSA-N,"InChI=1S/C11H16O8/c12-3-6-8(14)9(15)10(16)11(19-6)17-4-5-1-2-7(13)18-5/h1-2,5-6,8-12,14-16H,3-4H2/t5-,6+,8+,9-,10+,11+/m0/s1",O=C1C=C[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O1,C11H16O8,pos_2MNa,276.084517472,TYWXNGXVSZRXNA,,,,Clematis ligusticifolia,964063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis ligusticifolia'],8,0,8.0 141519,6035,679,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,0.6652844,ISDB,QFIHQWXKTUONPL-UHFFFAOYSA-N,"InChI=1S/C18H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h14-17H,2-13H2,1H3,(H2,19,20)",CCCCCCCCCCCCCC=CC=CC(N)=O,C18H33NO,,279.256214676,QFIHQWXKTUONPL,,,,Piper longum,97780.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper longum'],4,0,6.661137580871582 141435,6034,242,Fatty acids,Sesquiterpenoids,Furans,0.0,MS1_match,YVBAUDVGOFCUSG-UHFFFAOYSA-N,"InChI=1S/C9H14O/c1-2-3-4-6-9-7-5-8-10-9/h5,7-8H,2-4,6H2,1H3",CCCCCc1ccco1,C9H14O,pos_2MH,138.104465068,YVBAUDVGOFCUSG,Polyketides,Cyclic polyketides,Furans,Patrinia villosa,971855.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia villosa'],6,3,7.5 141432,6032,340,Fatty acids,Fatty amides,Wax monoesters,0.0,MS1_match,AOGQPLXWSUTHQB-UHFFFAOYSA-N,"InChI=1S/C8H16O2/c1-3-4-5-6-7-10-8(2)9/h3-7H2,1-2H3",CCCCCCOC(C)=O,C8H16O2,pos_2MHCH3CN,144.115029752,AOGQPLXWSUTHQB,Fatty acids,Fatty esters,Wax monoesters,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 141430,6029,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MMHTXEATDNFMMY-WBIUFABUSA-N,"InChI=1S/C15H16O6/c1-15-6-12(18)10(16)5-9(15)8-3-7(20-2)4-11(17)13(8)14(19)21-15/h3-5,10,12,16-18H,6H2,1-2H3/t10-,12-,15-/m0/s1",COc1cc(O)c2c(c1)C1=C[C@H](O)[C@@H](O)C[C@]1(C)OC2=O,C15H16O6,pos_1_1proton,292.094688232,MMHTXEATDNFMMY,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Gymnosporia acuminata,906995.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Maytenus'],['Maytenus hookeri'],6,1,6.5 141431,6029,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MMHTXEATDNFMMY-WBIUFABUSA-N,"InChI=1S/C15H16O6/c1-15-6-12(18)10(16)5-9(15)8-3-7(20-2)4-11(17)13(8)14(19)21-15/h3-5,10,12,16-18H,6H2,1-2H3/t10-,12-,15-/m0/s1",COc1cc(O)c2c(c1)C1=C[C@H](O)[C@@H](O)C[C@]1(C)OC2=O,C15H16O6,pos_1_1proton,292.094688232,MMHTXEATDNFMMY,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Gymnosporia acuminata,906995.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Maytenus'],['Maytenus hookeri'],6,1,6.5 141413,6022,-1,,,,0.0,MS1_match,ALMYSFNKELLWOO-XANOUDBCSA-N,"InChI=1S/C15H22O2/c1-8-5-9(16)6-10-12(17)7-11-13(14(11,2)3)15(8,10)4/h6,8,11-13,17H,5,7H2,1-4H3/t8-,11-,12-,13+,15+/m1/s1",C[C@@H]1CC(=O)C=C2[C@H](O)C[C@@H]3[C@@H](C3(C)C)[C@]21C,C15H22O2,pos_1_1proton,234.161979944,ALMYSFNKELLWOO,Terpenoids,Sesquiterpenoids,Aristolane sesquiterpenoids,Nardostachys jatamansi,24101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Nardostachys'],['Nardostachys jatamansi'],6,0,6.0 141414,6022,-1,,,,0.0,MS1_match,FUHPCDQQVWLRRY-JQDTZHFSSA-N,"InChI=1S/C15H22O2/c1-9-4-6-12(8-11(3)15(16)17)14-10(2)5-7-13(9)14/h5,8-9,12-14H,4,6-7H2,1-3H3,(H,16,17)/b11-8+/t9-,12+,13-,14+/m1/s1",CC1=CC[C@H]2[C@@H]1[C@H](/C=C(\C)C(=O)O)CC[C@H]2C,C15H22O2,pos_1_1proton,234.161979944,FUHPCDQQVWLRRY,Terpenoids,Sesquiterpenoids,Valerenane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 141415,6022,-1,,,,0.0,MS1_match,CCKOKTXAGCPTTB-IVCYCYMQSA-N,"InChI=1S/C15H22O2/c1-15(2)13-8-6-11(10-16)4-3-5-12(17)7-9-14(13)15/h4,7,9,13-14,16H,3,5-6,8,10H2,1-2H3/b9-7-,11-4+/t13-,14+/m1/s1",CC1(C)[C@@H]2CC/C(CO)=C\CCC(=O)/C=C\[C@@H]21,C15H22O2,pos_1_1proton,234.161979944,CCKOKTXAGCPTTB,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,Valeriana fauriei,228778.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana fauriei'],6,0,6.0 141416,6022,-1,,,,0.0,MS1_match,CCKOKTXAGCPTTB-IVCYCYMQSA-N,"InChI=1S/C15H22O2/c1-15(2)13-8-6-11(10-16)4-3-5-12(17)7-9-14(13)15/h4,7,9,13-14,16H,3,5-6,8,10H2,1-2H3/b9-7-,11-4+/t13-,14+/m1/s1",CC1(C)[C@@H]2CC/C(CO)=C\CCC(=O)/C=C\[C@@H]21,C15H22O2,pos_1_1proton,234.161979944,CCKOKTXAGCPTTB,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 141417,6022,-1,,,,0.0,MS1_match,ZWFIFCRKFITASO-UHFFFAOYSA-N,"InChI=1S/C15H22O2/c1-14(2)11-6-7-15(3)13(17-15)5-4-10(9-16)8-12(11)14/h8-9,11-13H,4-7H2,1-3H3",CC12CCC3C(C=C(C=O)CCC1O2)C3(C)C,C15H22O2,pos_1_1proton,234.161979944,ZWFIFCRKFITASO,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,Valeriana dageletiana,7625130.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana dageletiana'],6,0,6.0 141418,6022,-1,,,,0.0,MS1_match,ZWFIFCRKFITASO-BTUCRWTDSA-N,"InChI=1S/C15H22O2/c1-14(2)11-6-7-15(3)13(17-15)5-4-10(9-16)8-12(11)14/h8-9,11-13H,4-7H2,1-3H3/b10-8+/t11-,12+,13-,15-/m0/s1",CC1(C)[C@@H]2/C=C(/C=O)CC[C@@H]3O[C@@]3(C)CC[C@@H]21,C15H22O2,pos_1_1proton,234.161979944,ZWFIFCRKFITASO,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,Valeriana pseudofficinalis,245963.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana pseudofficinalis'],6,0,6.0 141419,6022,-1,,,,0.0,MS1_match,ZWFIFCRKFITASO-BTUCRWTDSA-N,"InChI=1S/C15H22O2/c1-14(2)11-6-7-15(3)13(17-15)5-4-10(9-16)8-12(11)14/h8-9,11-13H,4-7H2,1-3H3/b10-8+/t11-,12+,13-,15-/m0/s1",CC1(C)[C@@H]2/C=C(/C=O)CC[C@@H]3O[C@@]3(C)CC[C@@H]21,C15H22O2,pos_1_1proton,234.161979944,ZWFIFCRKFITASO,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 141420,6022,-1,,,,0.0,MS1_match,HWYGETKWTYJBKT-UHFFFAOYSA-N,"InChI=1S/C15H22O2/c1-10-5-4-6-11(9-16)7-12-13(8-14(10)17)15(12,2)3/h5,7,9,12-14,17H,4,6,8H2,1-3H3",CC1=CCCC(C=O)=CC2C(CC1O)C2(C)C,C15H22O2,pos_1_1proton,234.161979944,HWYGETKWTYJBKT,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 141421,6022,-1,,,,0.0,MS1_match,CSSWGHXLDCLRSF-DGFSRKRXSA-N,"InChI=1S/C15H22O2/c1-10-6-5-7-11-12(16)8-9-13(14(2,3)17)15(10,11)4/h7-10,13,17H,5-6H2,1-4H3/t10-,13+,15+/m1/s1",C[C@@H]1CCC=C2C(=O)C=C[C@@H](C(C)(C)O)[C@]21C,C15H22O2,pos_1_1proton,234.161979944,CSSWGHXLDCLRSF,Terpenoids,Sesquiterpenoids,Nardosinane sesquiterpenoids,Nardostachys jatamansi,24101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Nardostachys'],['Nardostachys jatamansi'],6,0,6.0 141422,6022,-1,,,,0.0,MS1_match,KEXOELSKKSEHAC-GQRGDYHCSA-N,"InChI=1S/C15H22O2/c1-9-4-5-13-10(2)6-12(8-14(9)13)7-11(3)15(16)17/h7,10,12-13H,4-6,8H2,1-3H3,(H,16,17)/b11-7+/t10-,12+,13-/m0/s1",CC1=C2C[C@@H](/C=C(\C)C(=O)O)C[C@H](C)[C@@H]2CC1,C15H22O2,pos_1_1proton,234.161979944,KEXOELSKKSEHAC,Terpenoids,Sesquiterpenoids,Valerenane sesquiterpenoids,Nardostachys jatamansi,24101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Nardostachys'],['Nardostachys jatamansi'],6,0,6.0 141423,6022,-1,,,,0.0,MS1_match,KEXOELSKKSEHAC-GQRGDYHCSA-N,"InChI=1S/C15H22O2/c1-9-4-5-13-10(2)6-12(8-14(9)13)7-11(3)15(16)17/h7,10,12-13H,4-6,8H2,1-3H3,(H,16,17)/b11-7+/t10-,12+,13-/m0/s1",CC1=C2C[C@@H](/C=C(\C)C(=O)O)C[C@H](C)[C@@H]2CC1,C15H22O2,pos_1_1proton,234.161979944,KEXOELSKKSEHAC,Terpenoids,Sesquiterpenoids,Valerenane sesquiterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,0,6.0 141424,6022,-1,,,,0.0,MS1_match,FTRAYGSWEQETHN-BMIGLBTASA-N,"InChI=1S/C15H22O2/c1-9(2)11-5-6-15(4,17)14-12(8-11)10(3)7-13(14)16/h8-10,17H,5-7H2,1-4H3/t10-,15+/m1/s1",CC(C)C1=CC2=C(C(=O)C[C@H]2C)[C@@](C)(O)CC1,C15H22O2,pos_1_1proton,234.161979944,FTRAYGSWEQETHN,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Nardostachys jatamansi,24101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Nardostachys'],['Nardostachys jatamansi'],6,0,6.0 141425,6022,-1,,,,0.0,MS1_match,FEBNTWHYQKGEIQ-JWRGBUJQSA-N,"InChI=1S/C15H22O2/c1-9-4-6-12(8-11(3)15(16)17)14-10(2)5-7-13(9)14/h8-9,12-13H,4-7H2,1-3H3,(H,16,17)/b11-8-/t9-,12+,13-/m1/s1",CC1=C2[C@H](/C=C(/C)C(=O)O)CC[C@@H](C)[C@H]2CC1,C15H22O2,pos_1_1proton,234.161979944,FEBNTWHYQKGEIQ,Terpenoids,Sesquiterpenoids,Valerenane sesquiterpenoids,Valeriana wolgensis,5746446.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana wolgensis'],6,0,6.0 141426,6022,-1,,,,0.0,MS1_match,FEBNTWHYQKGEIQ-JWRGBUJQSA-N,"InChI=1S/C15H22O2/c1-9-4-6-12(8-11(3)15(16)17)14-10(2)5-7-13(9)14/h8-9,12-13H,4-7H2,1-3H3,(H,16,17)/b11-8-/t9-,12+,13-/m1/s1",CC1=C2[C@H](/C=C(/C)C(=O)O)CC[C@@H](C)[C@H]2CC1,C15H22O2,pos_1_1proton,234.161979944,FEBNTWHYQKGEIQ,Terpenoids,Sesquiterpenoids,Valerenane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 141427,6022,-1,,,,0.0,MS1_match,ALMYSFNKELLWOO-DGFDXLHMSA-N,"InChI=1S/C15H22O2/c1-8-5-9(16)6-10-12(17)7-11-13(14(11,2)3)15(8,10)4/h6,8,11-13,17H,5,7H2,1-4H3/t8-,11-,12-,13+,15+/m0/s1",C[C@H]1CC(=O)C=C2[C@@H](O)C[C@H]3[C@H](C3(C)C)[C@@]21C,C15H22O2,pos_1_1proton,234.161979944,ALMYSFNKELLWOO,Terpenoids,Sesquiterpenoids,Aristolane sesquiterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,0,6.0 141428,6022,-1,,,,0.0,MS1_match,WZFLXDPAHIAFNU-STPATLDNSA-N,"InChI=1S/C15H22O2/c1-10(9-16)8-12-5-4-11(2)13-6-7-14(3)15(12,13)17-14/h8-9,11-13H,4-7H2,1-3H3/b10-8+/t11-,12+,13-,14+,15-/m1/s1",C/C(C=O)=C\[C@@H]1CC[C@@H](C)[C@H]2CC[C@]3(C)O[C@]123,C15H22O2,pos_1_1proton,234.161979944,WZFLXDPAHIAFNU,Terpenoids,Sesquiterpenoids,Arteminisin,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 141429,6022,-1,,,,0.0,MS1_match,HWYGETKWTYJBKT-UHFFFAOYSA-N,"InChI=1S/C15H22O2/c1-10-5-4-6-11(9-16)7-12-13(8-14(10)17)15(12,2)3/h5,7,9,12-14,17H,4,6,8H2,1-3H3",CC1=CCCC(C=O)=CC2C(CC1O)C2(C)C,C15H22O2,pos_1_1proton,234.161979944,HWYGETKWTYJBKT,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,Valeriana dageletiana,7625130.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana dageletiana'],6,0,6.0 140767,6018,-1,,,,0.29376504,ISDB,DRVBFTZBBRULEX-LHWCIIDMSA-N,"InChI=1S/C30H48O2/c1-18(2)19-9-12-23-28(6)16-13-20-21(29(28,7)17-25(32)30(19,23)8)10-11-22-26(3,4)24(31)14-15-27(20,22)5/h10,13,18-19,22-25,31-32H,9,11-12,14-17H2,1-8H3/t19-,22+,23+,24-,25-,27-,28+,29-,30-/m1/s1",CC(C)[C@H]1CC[C@@H]2[C@]1(C)[C@H](O)C[C@]1(C)C3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)C3=CC[C@@]21C,C30H48O2,,440.365430776,DRVBFTZBBRULEX,Terpenoids,Triterpenoids,Fernane and Arborinane triterpenoids,Lonicera gracilipes,920854.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera gracilipes'],7,0,8.175060153007507 140766,6010,-1,,,,0.5072242,ISDB,FFZDJCBPACTOIH-UHFFFAOYSA-N,"InChI=1S/C15H17NO6/c1-9(15(20)12(21-2)7-13(17)22-15)8-16-11-5-3-10(4-6-11)14(18)19/h3-7,9,16,20H,8H2,1-2H3,(H,18,19)",COC1=CC(=O)OC1(O)C(C)CNc1ccc(C(=O)O)cc1,C15H17NO6,,307.105587264,FFZDJCBPACTOIH,Shikimates and Phenylpropanoids,,,Aspergillus ochraceus,283734.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Aspergillus'],['Aspergillus ochraceus'],1,0,3.0288968086242676 140763,6008,-1,,,,0.23757531,ISDB,HYYCBNZMVDXFIO-MRLUPLGUSA-N,"InChI=1S/C31H47N7O6/c1-19(2)8-5-9-21(39)17-27(40)36-25(16-20-18-35-23-11-4-3-10-22(20)23)29(42)38-15-7-13-26(38)28(41)37-24(30(43)44)12-6-14-34-31(32)33/h3-4,10-11,18-19,21,24-26,35,39H,5-9,12-17H2,1-2H3,(H,36,40)(H,37,41)(H,43,44)(H4,32,33,34)/t21-,24-,25+,26-/m0/s1",CC(C)CCC[C@H](O)CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O,C31H47N7O6,,613.358782224,HYYCBNZMVDXFIO,,,,Elysia rufescens,639897.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Gastropoda'],['Sacoglossa'],['Plakobranchidae'],['Unknown'],['Elysia'],['Elysia rufescens'],1,0,1.9503012299537659 140762,6006,382,Amino acids and Peptides,Oligopeptides,Linear peptides,0.36374122,ISDB,JZHHEDXKUYAXEI-XEOSYUJQSA-N,"InChI=1S/C49H82N8O15/c1-14-27(6)39(60)29(8)24-30(9)40-28(7)19-20-49(70,72-40)48(12,69)47(68)53-37(38(59)26(4)5)45(65)56-34(18-16-22-51-56)44(64)57(71)31(10)42(62)54(13)35(23-25(2)3)43(63)55-33(17-15-21-50-55)41(61)52-36(32(11)58)46(66)67/h14,24-26,28-29,31-38,40,50-51,58-59,69-71H,15-23H2,1-13H3,(H,52,61)(H,53,68)(H,66,67)/b27-14+,30-24+/t28-,29-,31-,32-,33-,34+,35+,36+,37-,38-,40-,48?,49+/m0/s1",C/C=C(\C)C(=O)[C@@H](C)/C=C(\C)[C@H]1O[C@@](O)(C(C)(O)C(=O)N[C@H](C(=O)N2NCCC[C@@H]2C(=O)N(O)[C@@H](C)C(=O)N(C)[C@H](CC(C)C)C(=O)N2NCCC[C@H]2C(=O)N[C@@H](C(=O)O)[C@H](C)O)[C@@H](O)C(C)C)CC[C@@H]1C,C49H82N8O15,,1022.589963924,JZHHEDXKUYAXEI,Amino acids and Peptides,Oligopeptides,Linear peptides,Streptomyces,772892.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Unknown'],0,3,2.9549648761749268 140759,6002,-1,,,,0.0,MS1_match,XWOHZIIPBYAMJX-KHBMLBSESA-N,"InChI=1S/C11H16O5/c1-5-8(12)3-6-7(10(13)15-2)4-16-11(14)9(5)6/h4-6,8-9,11-12,14H,3H2,1-2H3/t5-,6+,8-,9+,11+/m0/s1",COC(=O)C1=CO[C@@H](O)[C@@H]2[C@@H](C)[C@@H](O)C[C@H]12,C11H16O5,pos_2MHCH3CN,228.099773612,XWOHZIIPBYAMJX,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Dipsacus laciniatus,489131.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Dipsacus'],['Dipsacus laciniatus'],6,0,6.0 140760,6002,-1,,,,0.0,MS1_match,HJTVDWWIPXDJBB-UHFFFAOYSA-N,"InChI=1S/C11H16O5/c1-6(5-12)7-4-8(13)11(2,15)9(7)10(14)16-3/h5,7-9,13,15H,1,4H2,2-3H3",C=C(C=O)C1CC(O)C(C)(O)C1C(=O)OC,C11H16O5,pos_2MHCH3CN,228.099773612,HJTVDWWIPXDJBB,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,0,6.0 140761,6002,-1,,,,0.0,MS1_match,NGJFTIGDSFYTPY-UHFFFAOYSA-N,"InChI=1S/C11H16O5/c1-11-7(12)3-5-6(4-15-11)10(14-2)16-9(13)8(5)11/h5-8,10,12H,3-4H2,1-2H3",COC1OC(=O)C2C3CC(O)C2(C)OCC13,C11H16O5,pos_2MHCH3CN,228.099773612,NGJFTIGDSFYTPY,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,0,6.0 140756,5997,-1,,,,0.7271849,ISDB,OEJYWQCXHNOOHC-ZXEGGCGDSA-N,"InChI=1S/C24H48NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(27)32-23(21-26)22-31-33(28,29)30-20-19-25(2,3)4/h10-11,23,26H,5-9,12-22H2,1-4H3/b11-10-/t23-/m1/s1",CCCCCC/C=C\CCCCCCCC(=O)O[C@H](CO)COP(=O)([O-])OCC[N+](C)(C)C,C24H48NO7P,,493.316839506,OEJYWQCXHNOOHC,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Drosophila melanogaster,505714.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Diptera'],['Drosophilidae'],['Drosophilini'],['Drosophila'],['Drosophila melanogaster'],1,0,3.9087395668029785 140757,5997,-1,,,,0.7271849,ISDB,OEJYWQCXHNOOHC-ZXEGGCGDSA-N,"InChI=1S/C24H48NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(27)32-23(21-26)22-31-33(28,29)30-20-19-25(2,3)4/h10-11,23,26H,5-9,12-22H2,1-4H3/b11-10-/t23-/m1/s1",CCCCCC/C=C\CCCCCCCC(=O)O[C@H](CO)COP(=O)([O-])OCC[N+](C)(C)C,C24H48NO7P,,493.316839506,OEJYWQCXHNOOHC,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Saccharomyces cerevisiae,356221.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Unknown'],['Saccharomycetales'],['Saccharomycetaceae'],['Unknown'],['Saccharomyces'],['Saccharomyces cerevisiae'],1,0,3.9087395668029785 140749,5995,30,Alkaloids,Tyrosine alkaloids,Cinnamic acid amides,0.0,MS1_match,ZEIIWKCRPSSDKR-UHFFFAOYSA-N,"InChI=1S/C27H35NO13/c1-3-16-17(7-6-14-9-15(24(35)36)11-28(10-14)8-4-5-20(30)31)18(25(37)38-2)13-39-26(16)41-27-23(34)22(33)21(32)19(12-29)40-27/h3,6-7,9,11,13,16-17,19,21-23,26-27,29,32-34H,1,4-5,8,10,12H2,2H3,(H,30,31)(H,35,36)",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1C=CC1=CC(C(=O)O)=CN(CCCC(=O)O)C1,C27H35NO13,pos_2_2proton1acetonitrile,581.21084018,ZEIIWKCRPSSDKR,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],8,0,8.0 140698,5994,1226,Polyketides,Aromatic polyketides,Depsides,0.45406497,ISDB,PDKQWVGVSXAXRB-UHFFFAOYSA-N,"InChI=1S/C24H38O3/c1-14(25)15-7-11-24(6)20(15)16(26)13-18-22(4)10-9-19(27)21(2,3)17(22)8-12-23(18,24)5/h15-18,20,26H,7-13H2,1-6H3",CC(=O)C1CCC2(C)C1C(O)CC1C3(C)CCC(=O)C(C)(C)C3CCC12C,C24H38O3,,374.282095076,PDKQWVGVSXAXRB,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Viburnum cylindricum,205162.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Adoxaceae'],['Unknown'],['Viburnum'],['Viburnum cylindricum'],5,0,6.816259860992432 140693,5989,-1,,,,0.0,MS1_match,RPOWAISXPHIEJS-XAVNFNALSA-N,"InChI=1S/C10H16O4/c1-5-6-3-8(11)10(2,13)7(6)4-14-9(5)12/h5-8,11,13H,3-4H2,1-2H3/t5-,6-,7+,8+,10+/m1/s1",C[C@H]1C(=O)OC[C@H]2[C@@H]1C[C@H](O)[C@@]2(C)O,C10H16O4,pos_1_1proton1acetonitrile,200.104858992,RPOWAISXPHIEJS,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia scabra,68239.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia scabra'],6,0,6.0 140694,5989,-1,,,,0.0,MS1_match,RPOWAISXPHIEJS-QKDRXXQKSA-N,"InChI=1S/C10H16O4/c1-5-6-3-8(11)10(2,13)7(6)4-14-9(5)12/h5-8,11,13H,3-4H2,1-2H3/t5-,6?,7?,8+,10+/m1/s1",C[C@H]1C(=O)OCC2C1C[C@H](O)[C@@]2(C)O,C10H16O4,pos_1_1proton1acetonitrile,200.104858992,RPOWAISXPHIEJS,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia villosa,971855.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia villosa'],6,0,6.0 140695,5989,-1,,,,0.0,MS1_match,PEZCHMXCLXLNIE-UHFFFAOYSA-N,"InChI=1S/C10H16O4/c1-5-4-14-9(12)8-6(5)3-7(11)10(8,2)13/h5-8,11,13H,3-4H2,1-2H3",CC1COC(=O)C2C1CC(O)C2(C)O,C10H16O4,pos_1_1proton1acetonitrile,200.104858992,PEZCHMXCLXLNIE,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,0,6.0 140696,5989,-1,,,,0.0,MS1_match,AKSVFQUZZNWLCZ-QWABEJFVSA-N,"InChI=1S/C10H16O4/c1-5-6-3-8(12)10(2,13)9(6)14-4-7(5)11/h5-6,8-9,12-13H,3-4H2,1-2H3/t5-,6-,8+,9+,10-/m1/s1",C[C@H]1C(=O)CO[C@H]2[C@@H]1C[C@H](O)[C@@]2(C)O,C10H16O4,pos_1_1proton1acetonitrile,200.104858992,AKSVFQUZZNWLCZ,Polyketides,,,Patrinia scabra,68239.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia scabra'],6,0,6.0 140697,5989,-1,,,,0.0,MS1_match,STSJHYHSVQPPEC-BGKGJTHRSA-N,"InChI=1S/C10H16O4/c1-5-4-14-10(13)9-6(5)2-8(12)7(9)3-11/h5-9,11-12H,2-4H2,1H3/t5-,6+,7-,8-,9-/m0/s1",C[C@H]1COC(=O)[C@@H]2[C@@H](CO)[C@@H](O)C[C@@H]21,C10H16O4,pos_1_1proton1acetonitrile,200.104858992,STSJHYHSVQPPEC,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana laxiflora,844983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana laxiflora'],6,0,6.0 140689,5988,122,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Iridoids monoterpenoids,0.32116377,ISDB,UPNWOCRDANTCBA-DUXPYHPUSA-N,"InChI=1S/C19H21NO4/c1-24-18-13-15(7-10-17(18)22)3-2-4-19(23)20-12-11-14-5-8-16(21)9-6-14/h2,4-10,13,21-22H,3,11-12H2,1H3,(H,20,23)/b4-2+",COc1cc(C/C=C/C(=O)NCCc2ccc(O)cc2)ccc1O,C19H21NO4,,327.147058152,UPNWOCRDANTCBA,Amino acids and Peptides,Phenylpropanoids (C6-C3),Cinnamic acid amides,Pisonia aculeata,833114.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Nyctaginaceae'],['Unknown'],['Pisonia'],['Pisonia aculeata'],4,2,6.2846550941467285 140685,5984,-1,,,,0.2196665,ISDB,MLKFESWUFLKYRE-UHFFFAOYSA-N,"InChI=1S/C13H17NO5/c1-19-13(18)10-6-14(4-5-15)12(17)11-8(7-16)2-3-9(10)11/h2,6,9,11,15-16H,3-5,7H2,1H3",COC(=O)C1=CN(CCO)C(=O)C2C(CO)=CCC12,C13H17NO5,,267.110672644,MLKFESWUFLKYRE,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Gardenia jasminoides,919367.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Gardenieae'],['Gardenia'],['Gardenia jasminoides'],4,0,4.87866598367691 140667,5981,-1,,,,0.34079492,ISDB,RKAXZSIBGORDGB-UHFFFAOYSA-N,"InChI=1S/C22H24O5/c1-13(2)16(23)10-15-19(25-3)12-20(26-4)21-17(24)11-18(27-22(15)21)14-8-6-5-7-9-14/h5-9,12,16,18,23H,1,10-11H2,2-4H3",C=C(C)C(O)Cc1c(OC)cc(OC)c2c1OC(c1ccccc1)CC2=O,C22H24O5,,368.162373868,RKAXZSIBGORDGB,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Pongamia glabra,170183.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Millettieae'],['Pongamia'],['Pongamia pinnata'],4,0,5.363179683685303 140668,5981,-1,,,,0.34079492,ISDB,RKAXZSIBGORDGB-WMZOPIPTSA-N,"InChI=1S/C22H24O5/c1-13(2)16(23)10-15-19(25-3)12-20(26-4)21-17(24)11-18(27-22(15)21)14-8-6-5-7-9-14/h5-9,12,16,18,23H,1,10-11H2,2-4H3/t16-,18-/m0/s1",C=C(C)[C@@H](O)Cc1c(OC)cc(OC)c2c1O[C@H](c1ccccc1)CC2=O,C22H24O5,,368.1623738679999,RKAXZSIBGORDGB,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Pongamia pinnata,170183.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Millettieae'],['Pongamia'],['Pongamia pinnata'],4,0,5.363179683685303 140669,5981,-1,,,,0.34079492,ISDB,RKAXZSIBGORDGB-UHFFFAOYSA-N,"InChI=1S/C22H24O5/c1-13(2)16(23)10-15-19(25-3)12-20(26-4)21-17(24)11-18(27-22(15)21)14-8-6-5-7-9-14/h5-9,12,16,18,23H,1,10-11H2,2-4H3",C=C(C)C(O)Cc1c(OC)cc(OC)c2c1OC(c1ccccc1)CC2=O,C22H24O5,,368.162373868,RKAXZSIBGORDGB,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Pongamia pinnata var. pinnata,7633049.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Millettieae'],['Pongamia'],['Pongamia pinnata'],4,0,5.363179683685303 140670,5981,-1,,,,0.34079492,ISDB,RKAXZSIBGORDGB-UHFFFAOYSA-N,"InChI=1S/C22H24O5/c1-13(2)16(23)10-15-19(25-3)12-20(26-4)21-17(24)11-18(27-22(15)21)14-8-6-5-7-9-14/h5-9,12,16,18,23H,1,10-11H2,2-4H3",C=C(C)C(O)Cc1c(OC)cc(OC)c2c1OC(c1ccccc1)CC2=O,C22H24O5,,368.162373868,RKAXZSIBGORDGB,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Millettia pinnata,170183.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Millettieae'],['Pongamia'],['Pongamia pinnata'],4,0,5.363179683685303 140666,5976,169,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,VEPJYMZVLHBTJT-ONOSFVFSSA-N,"InChI=1S/C11H14O2/c1-7-3-2-4-8-9(12)5-6-10(13)11(7)8/h4-7,10-11,13H,2-3H2,1H3/t7-,10-,11+/m1/s1",C[C@@H]1CCC=C2C(=O)C=C[C@@H](O)[C@H]21,C11H14O2,pos_1_1proton1acetonitrile,178.099379688,VEPJYMZVLHBTJT,Terpenoids,,,Nardostachys jatamansi,24101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Nardostachys'],['Nardostachys jatamansi'],6,1,6.5 140642,5969,320,Amino acids and Peptides,Cyclic polyketides,Cyanogenic glycosides,0.560782,ISDB,HBWSHUSCJAVGEJ-IJLUTSLNSA-N,"InChI=1S/C15H21NO6/c17-13-10(1-4-20-13)7-16(8-11-2-5-21-14(11)18)9-12-3-6-22-15(12)19/h10-12H,1-9H2/t10-,11-,12-/m1/s1",O=C1OCC[C@@H]1CN(C[C@H]1CCOC1=O)C[C@H]1CCOC1=O,C15H21NO6,,311.136887392,HBWSHUSCJAVGEJ,,,,Bellendena montana,551480.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Proteales'],['Proteaceae'],['Unknown'],['Bellendena'],['Bellendena montana'],4,0,6.243128061294556 140637,5968,169,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,RRAFCDWBNXTKKO-UHFFFAOYSA-N,"InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3",C=CCc1ccc(O)c(OC)c1,C10H12O2,pos_1_1proton1acetonitrile,164.083729624,RRAFCDWBNXTKKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 140638,5968,169,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LREHGXOCZVBABG-UHFFFAOYSA-N,"InChI=1S/C10H12O2/c1-3-5-8-6-4-7-9(12-2)10(8)11/h3-4,6-7,11H,1,5H2,2H3",C=CCc1cccc(OC)c1O,C10H12O2,pos_1_1proton1acetonitrile,164.083729624,LREHGXOCZVBABG,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 140636,5965,173,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.41777387,ISDB,,,,,,,DUWZSVUYUNQCKW,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.6710954904556274 140618,5964,-1,,,,0.0,MS1_match,QZCJFXSHMSZCLH-UHFFFAOYSA-N,"InChI=1S/C17H24O11/c1-6-11-7(3-10(19)26-6)8(15(23)24-2)5-25-16(11)28-17-14(22)13(21)12(20)9(4-18)27-17/h5-7,9,11-14,16-18,20-22H,3-4H2,1-2H3",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(C)OC(=O)CC12,C17H24O11,pos_1_1potassium,404.131861588,QZCJFXSHMSZCLH,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera alpigena,920868.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera alpigena'],8,0,8.0 140619,5964,-1,,,,0.0,MS1_match,QZCJFXSHMSZCLH-UHFFFAOYSA-N,"InChI=1S/C17H24O11/c1-6-11-7(3-10(19)26-6)8(15(23)24-2)5-25-16(11)28-17-14(22)13(21)12(20)9(4-18)27-17/h5-7,9,11-14,16-18,20-22H,3-4H2,1-2H3",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(C)OC(=O)CC12,C17H24O11,pos_1_1potassium,404.131861588,QZCJFXSHMSZCLH,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera alpigena,920868.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera alpigena'],8,0,8.0 140616,5963,173,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.2591133,ISDB,IZSBTQUUESEKPV-UHFFFAOYSA-N,"InChI=1S/C30H34O8/c1-17(2)23(33)11-8-18(3)6-5-7-19(4)12-13-29-22-10-9-20(31)15-25(22)38-30(29,36)28(35)27-24(34)14-21(32)16-26(27)37-29/h6,9-10,12,14-16,23,31-34,36H,1,5,7-8,11,13H2,2-4H3",C=C(C)C(O)CCC(C)=CCCC(C)=CCC12Oc3cc(O)cc(O)c3C(=O)C1(O)Oc1cc(O)ccc12,C30H34O8,,522.2253680479998,IZSBTQUUESEKPV,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Morus nigra,299656.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Morus'],['Morus nigra'],4,0,5.0364532470703125 140592,5960,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.62173945,ISDB,XFSSKYLJQBBIKJ-UHFFFAOYSA-N,"InChI=1S/C11H12O4/c1-7(2)5-11(14)15-10-6-8(12)3-4-9(10)13/h3-6,12-13H,1-2H3",CC(C)=CC(=O)Oc1cc(O)ccc1O,C11H12O4,,208.073558864,XFSSKYLJQBBIKJ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Calea prunifolia,7606947.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Neurolaeneae'],['Calea'],['Calea prunifolia'],4,3,7.986957788467407 140593,5960,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.62173945,ISDB,XFSSKYLJQBBIKJ-UHFFFAOYSA-N,"InChI=1S/C11H12O4/c1-7(2)5-11(14)15-10-6-8(12)3-4-9(10)13/h3-6,12-13H,1-2H3",CC(C)=CC(=O)Oc1cc(O)ccc1O,C11H12O4,,208.073558864,XFSSKYLJQBBIKJ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Calea jamaicensis,431707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Neurolaeneae'],['Calea'],['Calea jamaicensis'],4,3,7.986957788467407 140589,5956,275,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LUDMVJVLHCEECS-PXKJKYEHSA-N,"InChI=1S/C27H42O12/c1-14(2)8-20(30)38-22(16(5)6)24(32)35-11-18-12-36-25(39-21(31)9-15(3)4)23-26(18,33)10-19(29)27(23,34)13-37-17(7)28/h12,14-16,19,22-23,25,29,33-34H,8-11,13H2,1-7H3/t19-,22+,23-,25-,26-,27+/m0/s1",CC(=O)OC[C@]1(O)[C@H]2[C@H](OC(=O)CC(C)C)OC=C(COC(=O)[C@H](OC(=O)CC(C)C)C(C)C)[C@@]2(O)C[C@@H]1O,C27H42O12,pos_2_2proton2acetonitrile,558.267626784,LUDMVJVLHCEECS,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,3,7.5 140590,5956,275,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LUDMVJVLHCEECS-UHFFFAOYSA-N,"InChI=1S/C27H42O12/c1-14(2)8-20(30)38-22(16(5)6)24(32)35-11-18-12-36-25(39-21(31)9-15(3)4)23-26(18,33)10-19(29)27(23,34)13-37-17(7)28/h12,14-16,19,22-23,25,29,33-34H,8-11,13H2,1-7H3",CC(=O)OCC1(O)C(O)CC2(O)C(COC(=O)C(OC(=O)CC(C)C)C(C)C)=COC(OC(=O)CC(C)C)C21,C27H42O12,pos_2_2proton2acetonitrile,558.267626784,LUDMVJVLHCEECS,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana,393345.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Unknown'],6,3,7.5 140591,5956,275,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LUDMVJVLHCEECS-HXTWUXIJSA-N,"InChI=1S/C27H42O12/c1-14(2)8-20(30)38-22(16(5)6)24(32)35-11-18-12-36-25(39-21(31)9-15(3)4)23-26(18,33)10-19(29)27(23,34)13-37-17(7)28/h12,14-16,19,22-23,25,29,33-34H,8-11,13H2,1-7H3/t19-,22-,23-,25-,26-,27-/m0/s1",CC(=O)OC[C@@]1(O)[C@H]2[C@H](OC(=O)CC(C)C)OC=C(COC(=O)[C@@H](OC(=O)CC(C)C)C(C)C)[C@@]2(O)C[C@@H]1O,C27H42O12,pos_2_2proton2acetonitrile,558.267626784,LUDMVJVLHCEECS,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,3,7.5 139707,5955,-1,,,,0.36464697,ISDB,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,7.458587884902954 139701,5952,93,Alkaloids,Tryptophan alkaloids,Betalain alkaloids,0.0,MS1_match,DKNSWSKRPAEDMY-VPAJLPDZSA-N,"InChI=1S/C38H62O12/c1-18-15-20(29(33(5,6)45)47-19(2)40)50-38(46)28(18)34(7)13-14-37-17-36(37)12-11-24(49-30-27(43)26(42)25(41)21(16-39)48-30)32(3,4)22(36)9-10-23(37)35(34,8)31(38)44/h18,20-31,39,41-46H,9-17H2,1-8H3/t18-,20-,21-,22+,23+,24+,25+,26+,27-,28-,29-,30+,31-,34-,35-,36-,37+,38-/m1/s1",CC(=O)O[C@H]([C@H]1C[C@@H](C)[C@H]2[C@@](O)(O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O,C38H62O12,pos_2_2sodium,710.424127424,DKNSWSKRPAEDMY,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Actaea simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],6,0,6.0 139702,5952,93,Alkaloids,Tryptophan alkaloids,Betalain alkaloids,0.0,MS1_match,DKNSWSKRPAEDMY-VPAJLPDZSA-N,"InChI=1S/C38H62O12/c1-18-15-20(29(33(5,6)45)47-19(2)40)50-38(46)28(18)34(7)13-14-37-17-36(37)12-11-24(49-30-27(43)26(42)25(41)21(16-39)48-30)32(3,4)22(36)9-10-23(37)35(34,8)31(38)44/h18,20-31,39,41-46H,9-17H2,1-8H3/t18-,20-,21-,22+,23+,24+,25+,26+,27-,28-,29-,30+,31-,34-,35-,36-,37+,38-/m1/s1",CC(=O)O[C@H]([C@H]1C[C@@H](C)[C@H]2[C@@](O)(O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O,C38H62O12,pos_2_2sodium,710.424127424,DKNSWSKRPAEDMY,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Cimicifuga simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],6,0,6.0 139703,5952,93,Alkaloids,Tryptophan alkaloids,Betalain alkaloids,0.0,MS1_match,BWHFQBGPXVQAEL-CSBUWQRJSA-N,"InChI=1S/C38H62O12/c1-18-14-22(29(48-19(2)39)33(5,6)46-9)50-38(45)27(18)34(7)12-13-37-17-36(37)11-10-24(49-30-26(43)25(42)21(41)16-47-30)32(3,4)23(36)15-20(40)28(37)35(34,8)31(38)44/h18,20-31,40-45H,10-17H2,1-9H3/t18-,20+,21-,22-,23+,24+,25+,26-,27-,28+,29+,30+,31-,34-,35-,36-,37+,38-/m1/s1",COC(C)(C)[C@@H](OC(C)=O)[C@H]1C[C@@H](C)[C@H]2[C@@](O)(O1)[C@H](O)[C@@]1(C)[C@@H]3[C@@H](O)C[C@H]4C(C)(C)[C@@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)CC[C@@]45C[C@@]35CC[C@]21C,C38H62O12,pos_2_2sodium,710.424127424,BWHFQBGPXVQAEL,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Actaea simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],6,0,6.0 139704,5952,93,Alkaloids,Tryptophan alkaloids,Betalain alkaloids,0.0,MS1_match,BWHFQBGPXVQAEL-CSBUWQRJSA-N,"InChI=1S/C38H62O12/c1-18-14-22(29(48-19(2)39)33(5,6)46-9)50-38(45)27(18)34(7)12-13-37-17-36(37)11-10-24(49-30-26(43)25(42)21(41)16-47-30)32(3,4)23(36)15-20(40)28(37)35(34,8)31(38)44/h18,20-31,40-45H,10-17H2,1-9H3/t18-,20+,21-,22-,23+,24+,25+,26-,27-,28+,29+,30+,31-,34-,35-,36-,37+,38-/m1/s1",COC(C)(C)[C@@H](OC(C)=O)[C@H]1C[C@@H](C)[C@H]2[C@@](O)(O1)[C@H](O)[C@@]1(C)[C@@H]3[C@@H](O)C[C@H]4C(C)(C)[C@@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)CC[C@@]45C[C@@]35CC[C@]21C,C38H62O12,pos_2_2sodium,710.424127424,BWHFQBGPXVQAEL,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Cimicifuga simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],6,0,6.0 139705,5952,93,Alkaloids,Tryptophan alkaloids,Betalain alkaloids,0.0,MS1_match,CDVLNJHGGOFODI-GINPRTKDSA-N,"InChI=1S/C38H62O12/c1-18-14-21(29(48-19(2)39)33(5,6)46-9)50-38(45)28(18)34(7)12-13-36-17-37(36)22(10-11-23(36)35(34,8)31(38)44)32(3,4)25(15-24(37)41)49-30-27(43)26(42)20(40)16-47-30/h18,20-31,40-45H,10-17H2,1-9H3/t18-,20-,21-,22+,23+,24+,25+,26+,27-,28-,29+,30+,31-,34-,35-,36+,37-,38+/m1/s1",COC(C)(C)[C@@H](OC(C)=O)[C@H]1C[C@@H](C)[C@H]2[C@](O)(O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)C[C@H](O)[C@@]45C[C@@]35CC[C@]21C,C38H62O12,pos_2_2sodium,710.424127424,CDVLNJHGGOFODI,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Actaea simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],6,0,6.0 139706,5952,93,Alkaloids,Tryptophan alkaloids,Betalain alkaloids,0.0,MS1_match,CDVLNJHGGOFODI-GINPRTKDSA-N,"InChI=1S/C38H62O12/c1-18-14-21(29(48-19(2)39)33(5,6)46-9)50-38(45)28(18)34(7)12-13-36-17-37(36)22(10-11-23(36)35(34,8)31(38)44)32(3,4)25(15-24(37)41)49-30-27(43)26(42)20(40)16-47-30/h18,20-31,40-45H,10-17H2,1-9H3/t18-,20-,21-,22+,23+,24+,25+,26+,27-,28-,29+,30+,31-,34-,35-,36+,37-,38+/m1/s1",COC(C)(C)[C@@H](OC(C)=O)[C@H]1C[C@@H](C)[C@H]2[C@](O)(O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)C[C@H](O)[C@@]45C[C@@]35CC[C@]21C,C38H62O12,pos_2_2sodium,710.424127424,CDVLNJHGGOFODI,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Cimicifuga simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],6,0,6.0 139645,5951,-1,,,,0.0,MS1_match,FWKBQAVMKVZEOT-STCFVSJZSA-N,"InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1,C24H32O10,pos_2_2proton2acetonitrile,480.1995472239999,FWKBQAVMKVZEOT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana micropterina,6061682.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana micropterina'],6,0,6.0 139646,5951,-1,,,,0.0,MS1_match,FWKBQAVMKVZEOT-STCFVSJZSA-N,"InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1,C24H32O10,pos_2_2proton2acetonitrile,480.1995472239999,FWKBQAVMKVZEOT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana rossica,6061718.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana rossica'],6,0,6.0 139647,5951,-1,,,,0.0,MS1_match,FWKBQAVMKVZEOT-STCFVSJZSA-N,"InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1,C24H32O10,pos_2_2proton2acetonitrile,480.1995472239999,FWKBQAVMKVZEOT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana eriophylla,6061633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana eriophylla'],6,0,6.0 139648,5951,-1,,,,0.0,MS1_match,FWKBQAVMKVZEOT-STCFVSJZSA-N,"InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1,C24H32O10,pos_2_2proton2acetonitrile,480.1995472239999,FWKBQAVMKVZEOT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana cardamines,6061598.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana cardamines'],6,0,6.0 139649,5951,-1,,,,0.0,MS1_match,FWKBQAVMKVZEOT-STCFVSJZSA-N,"InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1,C24H32O10,pos_2_2proton2acetonitrile,480.1995472239999,FWKBQAVMKVZEOT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana condamoana,6061611.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana condamoana'],6,0,6.0 139650,5951,-1,,,,0.0,MS1_match,FWKBQAVMKVZEOT-STCFVSJZSA-N,"InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1,C24H32O10,pos_2_2proton2acetonitrile,480.1995472239999,FWKBQAVMKVZEOT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana prionophylla,526653.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana prionophylla'],6,0,6.0 139651,5951,-1,,,,0.0,MS1_match,FWKBQAVMKVZEOT-IRNZINHNSA-N,"InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18?,21-,22?,24-/m1/s1",CC(=O)OCC1=COC(OC(=O)CC(C)C)[C@H]2C1=CC(OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1,C24H32O10,pos_2_2proton2acetonitrile,480.199547224,FWKBQAVMKVZEOT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana,393345.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Unknown'],6,0,6.0 139652,5951,-1,,,,0.0,MS1_match,FWKBQAVMKVZEOT-STCFVSJZSA-N,"InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1,C24H32O10,pos_2_2proton2acetonitrile,480.1995472239999,FWKBQAVMKVZEOT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Centranthus ruber,759056.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Centranthus'],['Centranthus ruber'],6,0,6.0 139653,5951,-1,,,,0.0,MS1_match,FWKBQAVMKVZEOT-STCFVSJZSA-N,"InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1,C24H32O10,pos_2_2proton2acetonitrile,480.1995472239999,FWKBQAVMKVZEOT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Fedia cornucopiae,945863.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Fedia'],['Fedia cornucopiae'],6,0,6.0 139654,5951,-1,,,,0.0,MS1_match,FWKBQAVMKVZEOT-STCFVSJZSA-N,"InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1,C24H32O10,pos_2_2proton2acetonitrile,480.1995472239999,FWKBQAVMKVZEOT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valerianella dentata,476255.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valerianella'],['Valerianella dentata'],6,0,6.0 139655,5951,-1,,,,0.0,MS1_match,FWKBQAVMKVZEOT-STCFVSJZSA-N,"InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1,C24H32O10,pos_2_2proton2acetonitrile,480.1995472239999,FWKBQAVMKVZEOT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 139656,5951,-1,,,,0.0,MS1_match,FWKBQAVMKVZEOT-STCFVSJZSA-N,"InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1,C24H32O10,pos_2_2proton2acetonitrile,480.1995472239999,FWKBQAVMKVZEOT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valerianella locusta,459098.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valerianella'],['Valerianella locusta'],6,0,6.0 139657,5951,-1,,,,0.0,MS1_match,FWKBQAVMKVZEOT-STCFVSJZSA-N,"InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1,C24H32O10,pos_2_2proton2acetonitrile,480.1995472239999,FWKBQAVMKVZEOT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana glechomifolia,6061640.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana glechomifolia'],6,0,6.0 139658,5951,-1,,,,0.0,MS1_match,FWKBQAVMKVZEOT-STCFVSJZSA-N,"InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1,C24H32O10,pos_2_2proton2acetonitrile,480.1995472239999,FWKBQAVMKVZEOT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valerianella coronata,445620.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valerianella'],['Valerianella coronata'],6,0,6.0 139659,5951,-1,,,,0.0,MS1_match,FWKBQAVMKVZEOT-STCFVSJZSA-N,"InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1,C24H32O10,pos_2_2proton2acetonitrile,480.1995472239999,FWKBQAVMKVZEOT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana sambucifolia,746279.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana sambucifolia'],6,0,6.0 139660,5951,-1,,,,0.0,MS1_match,FWKBQAVMKVZEOT-IRNZINHNSA-N,"InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18?,21-,22?,24-/m1/s1",CC(=O)OCC1=COC(OC(=O)CC(C)C)[C@H]2C1=CC(OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1,C24H32O10,pos_2_2proton2acetonitrile,480.199547224,FWKBQAVMKVZEOT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Nardostachys jatamansi,24101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Nardostachys'],['Nardostachys jatamansi'],6,0,6.0 139661,5951,-1,,,,0.0,MS1_match,FWKBQAVMKVZEOT-STCFVSJZSA-N,"InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1,C24H32O10,pos_2_2proton2acetonitrile,480.1995472239999,FWKBQAVMKVZEOT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Centranthus macrosiphon,231861.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Centranthus'],['Centranthus macrosiphon'],6,0,6.0 139662,5951,-1,,,,0.0,MS1_match,FWKBQAVMKVZEOT-STCFVSJZSA-N,"InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1,C24H32O10,pos_2_2proton2acetonitrile,480.1995472239999,FWKBQAVMKVZEOT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana pseudofficinalis,245963.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana pseudofficinalis'],6,0,6.0 139663,5951,-1,,,,0.0,MS1_match,FWKBQAVMKVZEOT-STCFVSJZSA-N,"InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1,C24H32O10,pos_2_2proton2acetonitrile,480.1995472239999,FWKBQAVMKVZEOT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plectritis congesta,830567.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Plectritis'],['Plectritis congesta'],6,0,6.0 139664,5951,-1,,,,0.0,MS1_match,FWKBQAVMKVZEOT-STCFVSJZSA-N,"InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1,C24H32O10,pos_2_2proton2acetonitrile,480.1995472239999,FWKBQAVMKVZEOT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plectritis macrocera,945858.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Plectritis'],['Plectritis macrocera'],6,0,6.0 139665,5951,-1,,,,0.0,MS1_match,FWKBQAVMKVZEOT-STCFVSJZSA-N,"InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1,C24H32O10,pos_2_2proton2acetonitrile,480.1995472239999,FWKBQAVMKVZEOT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana sitchensis,21459.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana sitchensis'],6,0,6.0 139666,5951,-1,,,,0.0,MS1_match,FWKBQAVMKVZEOT-STCFVSJZSA-N,"InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1,C24H32O10,pos_2_2proton2acetonitrile,480.1995472239999,FWKBQAVMKVZEOT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana microphylla,21453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana microphylla'],6,0,6.0 139667,5951,-1,,,,0.0,MS1_match,FWKBQAVMKVZEOT-STCFVSJZSA-N,"InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1,C24H32O10,pos_2_2proton2acetonitrile,480.1995472239999,FWKBQAVMKVZEOT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana micropterina,6061682.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana micropterina'],6,0,6.0 139668,5951,-1,,,,0.0,MS1_match,FWKBQAVMKVZEOT-STCFVSJZSA-N,"InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1,C24H32O10,pos_2_2proton2acetonitrile,480.1995472239999,FWKBQAVMKVZEOT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana pulvinata,7625148.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana pulvinata'],6,0,6.0 139669,5951,-1,,,,0.0,MS1_match,FWKBQAVMKVZEOT-STCFVSJZSA-N,"InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1,C24H32O10,pos_2_2proton2acetonitrile,480.1995472239999,FWKBQAVMKVZEOT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana glechomifolia,6061640.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana glechomifolia'],6,0,6.0 139670,5951,-1,,,,0.0,MS1_match,FWKBQAVMKVZEOT-STCFVSJZSA-N,"InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1,C24H32O10,pos_2_2proton2acetonitrile,480.1995472239999,FWKBQAVMKVZEOT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,0,6.0 139671,5951,-1,,,,0.0,MS1_match,FWKBQAVMKVZEOT-STCFVSJZSA-N,"InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1,C24H32O10,pos_2_2proton2acetonitrile,480.1995472239999,FWKBQAVMKVZEOT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana pulvinata,7625148.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana pulvinata'],6,0,6.0 139672,5951,-1,,,,0.0,MS1_match,VSUJAXGURPSNJL-UHFFFAOYSA-N,"InChI=1S/C24H32O10/c1-12(2)7-19(27)33-18-8-17-16(9-29-14(5)25)10-30-23(20(17)24(18)11-31-24)34-22(28)21(13(3)4)32-15(6)26/h8,10,12-13,18,20-21,23H,7,9,11H2,1-6H3",CC(=O)OCC1=COC(OC(=O)C(OC(C)=O)C(C)C)C2C1=CC(OC(=O)CC(C)C)C21CO1,C24H32O10,pos_2_2proton2acetonitrile,480.199547224,VSUJAXGURPSNJL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,0,6.0 139673,5951,-1,,,,0.0,MS1_match,FWKBQAVMKVZEOT-STCFVSJZSA-N,"InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1,C24H32O10,pos_2_2proton2acetonitrile,480.1995472239999,FWKBQAVMKVZEOT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana microphylla,21453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana microphylla'],6,0,6.0 139674,5951,-1,,,,0.0,MS1_match,FWKBQAVMKVZEOT-STCFVSJZSA-N,"InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1,C24H32O10,pos_2_2proton2acetonitrile,480.1995472239999,FWKBQAVMKVZEOT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana eriophylla,6061633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana eriophylla'],6,0,6.0 139675,5951,-1,,,,0.0,MS1_match,FWKBQAVMKVZEOT-STCFVSJZSA-N,"InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1,C24H32O10,pos_2_2proton2acetonitrile,480.1995472239999,FWKBQAVMKVZEOT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana cardamines,6061598.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana cardamines'],6,0,6.0 139676,5951,-1,,,,0.0,MS1_match,FWKBQAVMKVZEOT-STCFVSJZSA-N,"InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1,C24H32O10,pos_2_2proton2acetonitrile,480.1995472239999,FWKBQAVMKVZEOT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana condamoana,6061611.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana condamoana'],6,0,6.0 139677,5951,-1,,,,0.0,MS1_match,FWKBQAVMKVZEOT-STCFVSJZSA-N,"InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1,C24H32O10,pos_2_2proton2acetonitrile,480.1995472239999,FWKBQAVMKVZEOT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana prionophylla,526653.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana prionophylla'],6,0,6.0 139678,5951,-1,,,,0.0,MS1_match,FWKBQAVMKVZEOT-IRNZINHNSA-N,"InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18?,21-,22?,24-/m1/s1",CC(=O)OCC1=COC(OC(=O)CC(C)C)[C@H]2C1=CC(OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1,C24H32O10,pos_2_2proton2acetonitrile,480.199547224,FWKBQAVMKVZEOT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana,393345.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Unknown'],6,0,6.0 139679,5951,-1,,,,0.0,MS1_match,FWKBQAVMKVZEOT-STCFVSJZSA-N,"InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1,C24H32O10,pos_2_2proton2acetonitrile,480.1995472239999,FWKBQAVMKVZEOT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Centranthus ruber,759056.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Centranthus'],['Centranthus ruber'],6,0,6.0 139680,5951,-1,,,,0.0,MS1_match,FWKBQAVMKVZEOT-STCFVSJZSA-N,"InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1,C24H32O10,pos_2_2proton2acetonitrile,480.1995472239999,FWKBQAVMKVZEOT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana rossica,6061718.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana rossica'],6,0,6.0 139681,5951,-1,,,,0.0,MS1_match,FWKBQAVMKVZEOT-STCFVSJZSA-N,"InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1,C24H32O10,pos_2_2proton2acetonitrile,480.1995472239999,FWKBQAVMKVZEOT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valerianella dentata,476255.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valerianella'],['Valerianella dentata'],6,0,6.0 139682,5951,-1,,,,0.0,MS1_match,FWKBQAVMKVZEOT-STCFVSJZSA-N,"InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1,C24H32O10,pos_2_2proton2acetonitrile,480.1995472239999,FWKBQAVMKVZEOT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 139683,5951,-1,,,,0.0,MS1_match,FWKBQAVMKVZEOT-STCFVSJZSA-N,"InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1,C24H32O10,pos_2_2proton2acetonitrile,480.1995472239999,FWKBQAVMKVZEOT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Fedia cornucopiae,945863.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Fedia'],['Fedia cornucopiae'],6,0,6.0 139684,5951,-1,,,,0.0,MS1_match,FWKBQAVMKVZEOT-STCFVSJZSA-N,"InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1,C24H32O10,pos_2_2proton2acetonitrile,480.1995472239999,FWKBQAVMKVZEOT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valerianella coronata,445620.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valerianella'],['Valerianella coronata'],6,0,6.0 139685,5951,-1,,,,0.0,MS1_match,FWKBQAVMKVZEOT-STCFVSJZSA-N,"InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1,C24H32O10,pos_2_2proton2acetonitrile,480.1995472239999,FWKBQAVMKVZEOT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valerianella locusta,459098.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valerianella'],['Valerianella locusta'],6,0,6.0 139686,5951,-1,,,,0.0,MS1_match,FWKBQAVMKVZEOT-STCFVSJZSA-N,"InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1,C24H32O10,pos_2_2proton2acetonitrile,480.1995472239999,FWKBQAVMKVZEOT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plectritis macrocera,945858.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Plectritis'],['Plectritis macrocera'],6,0,6.0 139687,5951,-1,,,,0.0,MS1_match,FWKBQAVMKVZEOT-STCFVSJZSA-N,"InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1,C24H32O10,pos_2_2proton2acetonitrile,480.1995472239999,FWKBQAVMKVZEOT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plectritis congesta,830567.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Plectritis'],['Plectritis congesta'],6,0,6.0 139688,5951,-1,,,,0.0,MS1_match,FWKBQAVMKVZEOT-STCFVSJZSA-N,"InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1,C24H32O10,pos_2_2proton2acetonitrile,480.1995472239999,FWKBQAVMKVZEOT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana pseudofficinalis,245963.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana pseudofficinalis'],6,0,6.0 139689,5951,-1,,,,0.0,MS1_match,FWKBQAVMKVZEOT-STCFVSJZSA-N,"InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1,C24H32O10,pos_2_2proton2acetonitrile,480.1995472239999,FWKBQAVMKVZEOT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana sitchensis,21459.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana sitchensis'],6,0,6.0 139690,5951,-1,,,,0.0,MS1_match,FWKBQAVMKVZEOT-IRNZINHNSA-N,"InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18?,21-,22?,24-/m1/s1",CC(=O)OCC1=COC(OC(=O)CC(C)C)[C@H]2C1=CC(OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1,C24H32O10,pos_2_2proton2acetonitrile,480.199547224,FWKBQAVMKVZEOT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Nardostachys jatamansi,24101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Nardostachys'],['Nardostachys jatamansi'],6,0,6.0 139691,5951,-1,,,,0.0,MS1_match,FWKBQAVMKVZEOT-STCFVSJZSA-N,"InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1,C24H32O10,pos_2_2proton2acetonitrile,480.1995472239999,FWKBQAVMKVZEOT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana sambucifolia,746279.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana sambucifolia'],6,0,6.0 139692,5951,-1,,,,0.0,MS1_match,FWKBQAVMKVZEOT-STCFVSJZSA-N,"InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1,C24H32O10,pos_2_2proton2acetonitrile,480.1995472239999,FWKBQAVMKVZEOT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,0,6.0 139693,5951,-1,,,,0.0,MS1_match,FWKBQAVMKVZEOT-STCFVSJZSA-N,"InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1,C24H32O10,pos_2_2proton2acetonitrile,480.1995472239999,FWKBQAVMKVZEOT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Centranthus macrosiphon,231861.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Centranthus'],['Centranthus macrosiphon'],6,0,6.0 139643,5948,-1,,,,0.6143733,ISDB,IIKZSHPQUJKBQV-UHIISALHSA-N,"InChI=1S/C14H19NO3/c1-17-11-3-2-5-14(8-11)12-7-13(16)18-9-10(12)4-6-15-14/h2-3,7,10-11,15H,4-6,8-9H2,1H3/t10-,11+,14-/m1/s1",CO[C@H]1C=CC[C@]2(C1)NCC[C@@H]1COC(=O)C=C12,C14H19NO3,,249.136493468,IIKZSHPQUJKBQV,Alkaloids,,,Erythrina berteroana,3921474.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Erythrina'],['Erythrina berteroana'],4,0,6.457493305206299 139629,5947,1725,Alkaloids,Naphthalenes,Hasubanan alkaloids,0.3959682,ISDB,NFKMFHWPFKCYLX-IQOMPXODSA-N,"InChI=1S/C20H25NO6/c1-21-8-7-18-9-12(22)17(25-3)20(26-4)19(18,21)10-14(27-20)11-5-6-13(24-2)16(23)15(11)18/h5-6,14,17,23H,7-10H2,1-4H3/t14-,17+,18-,19-,20-/m0/s1",COc1ccc2c(c1O)[C@@]13CCN(C)[C@@]14C[C@@H]2O[C@@]4(OC)[C@H](OC)C(=O)C3,C20H25NO6,,375.16818752,NFKMFHWPFKCYLX,Alkaloids,Tyrosine alkaloids,Hasubanan alkaloids,Stephania longa,567682.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Menispermaceae'],['Cissampelideae'],['Stephania'],['Stephania longa'],0,3,3.0838727951049805 139592,5946,1291,Shikimates and Phenylpropanoids,Ornithine alkaloids,Pyrrolizidine alkaloids,0.4334795,ISDB,IAPHXJRHXBQDQJ-YLFNNMARSA-N,"InChI=1S/C18H25NO6/c1-10-8-18(11(2)25-18)16(21)24-13-5-7-19-6-4-12(14(13)19)9-23-15(20)17(10,3)22/h4,10-11,13-14,22H,5-9H2,1-3H3/t10-,11-,13-,14-,17-,18+/m1/s1",C[C@@H]1C[C@@]2(O[C@@H]2C)C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@]1(C)O)[C@H]23,C18H25NO6,,351.16818751999995,IAPHXJRHXBQDQJ,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Crassocephalum crepidioides,65665.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Crassocephalum'],['Crassocephalum crepidioides'],4,3,7.233917951583862 139593,5946,1291,Shikimates and Phenylpropanoids,Ornithine alkaloids,Pyrrolizidine alkaloids,0.4334795,ISDB,IAPHXJRHXBQDQJ-UHFFFAOYSA-N,"InChI=1S/C18H25NO6/c1-10-8-18(11(2)25-18)16(21)24-13-5-7-19-6-4-12(14(13)19)9-23-15(20)17(10,3)22/h4,10-11,13-14,22H,5-9H2,1-3H3",CC1CC2(OC2C)C(=O)OC2CCN3CC=C(COC(=O)C1(C)O)C23,C18H25NO6,,351.16818751999995,IAPHXJRHXBQDQJ,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Senecio scandens,742757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio scandens'],4,3,7.233917951583862 139594,5946,1291,Shikimates and Phenylpropanoids,Ornithine alkaloids,Pyrrolizidine alkaloids,0.4334795,ISDB,IAPHXJRHXBQDQJ-YLFNNMARSA-N,"InChI=1S/C18H25NO6/c1-10-8-18(11(2)25-18)16(21)24-13-5-7-19-6-4-12(14(13)19)9-23-15(20)17(10,3)22/h4,10-11,13-14,22H,5-9H2,1-3H3/t10-,11-,13-,14-,17-,18+/m1/s1",C[C@@H]1C[C@@]2(O[C@@H]2C)C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@]1(C)O)[C@H]23,C18H25NO6,,351.16818751999995,IAPHXJRHXBQDQJ,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Jacobaea erucifolia,117046.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Jacobaea'],['Jacobaea erucifolia'],4,3,7.233917951583862 139595,5946,1291,Shikimates and Phenylpropanoids,Ornithine alkaloids,Pyrrolizidine alkaloids,0.4334795,ISDB,IAPHXJRHXBQDQJ-PECZWXESSA-N,"InChI=1S/C18H25NO6/c1-10-8-18(11(2)25-18)16(21)24-13-5-7-19-6-4-12(14(13)19)9-23-15(20)17(10,3)22/h4,10-11,13-14,22H,5-9H2,1-3H3/t10-,11+,13?,14-,17-,18+/m1/s1",C[C@@H]1C[C@@]2(O[C@H]2C)C(=O)OC2CCN3CC=C(COC(=O)[C@]1(C)O)[C@H]23,C18H25NO6,,351.16818752,IAPHXJRHXBQDQJ,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Senecio pterophorus,792673.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio pterophorus'],4,3,7.233917951583862 139596,5946,1291,Shikimates and Phenylpropanoids,Ornithine alkaloids,Pyrrolizidine alkaloids,0.4334795,ISDB,IAPHXJRHXBQDQJ-YLFNNMARSA-N,"InChI=1S/C18H25NO6/c1-10-8-18(11(2)25-18)16(21)24-13-5-7-19-6-4-12(14(13)19)9-23-15(20)17(10,3)22/h4,10-11,13-14,22H,5-9H2,1-3H3/t10-,11-,13-,14-,17-,18+/m1/s1",C[C@@H]1C[C@@]2(O[C@@H]2C)C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@]1(C)O)[C@H]23,C18H25NO6,,351.16818751999995,IAPHXJRHXBQDQJ,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Senecio aquaticus,117022.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Jacobaea'],['Jacobaea aquatica'],4,3,7.233917951583862 139597,5946,1291,Shikimates and Phenylpropanoids,Ornithine alkaloids,Pyrrolizidine alkaloids,0.4334795,ISDB,IAPHXJRHXBQDQJ-YLFNNMARSA-N,"InChI=1S/C18H25NO6/c1-10-8-18(11(2)25-18)16(21)24-13-5-7-19-6-4-12(14(13)19)9-23-15(20)17(10,3)22/h4,10-11,13-14,22H,5-9H2,1-3H3/t10-,11-,13-,14-,17-,18+/m1/s1",C[C@@H]1C[C@@]2(O[C@@H]2C)C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@]1(C)O)[C@H]23,C18H25NO6,,351.16818751999995,IAPHXJRHXBQDQJ,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Jacobaea aquatica,117022.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Jacobaea'],['Jacobaea aquatica'],4,3,7.233917951583862 139598,5946,1291,Shikimates and Phenylpropanoids,Ornithine alkaloids,Pyrrolizidine alkaloids,0.4334795,ISDB,IAPHXJRHXBQDQJ-YLFNNMARSA-N,"InChI=1S/C18H25NO6/c1-10-8-18(11(2)25-18)16(21)24-13-5-7-19-6-4-12(14(13)19)9-23-15(20)17(10,3)22/h4,10-11,13-14,22H,5-9H2,1-3H3/t10-,11-,13-,14-,17-,18+/m1/s1",C[C@@H]1C[C@@]2(O[C@@H]2C)C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@]1(C)O)[C@H]23,C18H25NO6,,351.16818751999995,IAPHXJRHXBQDQJ,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Senecio vulgaris,754105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio vulgaris'],4,3,7.233917951583862 139599,5946,1291,Shikimates and Phenylpropanoids,Ornithine alkaloids,Pyrrolizidine alkaloids,0.4334795,ISDB,IAPHXJRHXBQDQJ-WKMWQDDRSA-N,"InChI=1S/C18H25NO6/c1-10-8-18(11(2)25-18)16(21)24-13-5-7-19-6-4-12(14(13)19)9-23-15(20)17(10,3)22/h4,10-11,13-14,22H,5-9H2,1-3H3/t10-,11+,13-,14-,17-,18+/m1/s1",C[C@@H]1C[C@@]2(O[C@H]2C)C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@]1(C)O)[C@H]23,C18H25NO6,,351.16818752,IAPHXJRHXBQDQJ,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Senecio brasiliensis,1031495.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio brasiliensis'],4,3,7.233917951583862 139600,5946,1291,Shikimates and Phenylpropanoids,Ornithine alkaloids,Pyrrolizidine alkaloids,0.4334795,ISDB,IAPHXJRHXBQDQJ-WKMWQDDRSA-N,"InChI=1S/C18H25NO6/c1-10-8-18(11(2)25-18)16(21)24-13-5-7-19-6-4-12(14(13)19)9-23-15(20)17(10,3)22/h4,10-11,13-14,22H,5-9H2,1-3H3/t10-,11+,13-,14-,17-,18+/m1/s1",C[C@@H]1C[C@@]2(O[C@H]2C)C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@]1(C)O)[C@H]23,C18H25NO6,,351.16818752,IAPHXJRHXBQDQJ,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Senecio incanus,117042.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Jacobaea'],['Jacobaea incana'],4,3,7.233917951583862 139601,5946,1291,Shikimates and Phenylpropanoids,Ornithine alkaloids,Pyrrolizidine alkaloids,0.4334795,ISDB,IAPHXJRHXBQDQJ-WKMWQDDRSA-N,"InChI=1S/C18H25NO6/c1-10-8-18(11(2)25-18)16(21)24-13-5-7-19-6-4-12(14(13)19)9-23-15(20)17(10,3)22/h4,10-11,13-14,22H,5-9H2,1-3H3/t10-,11+,13-,14-,17-,18+/m1/s1",C[C@@H]1C[C@@]2(O[C@H]2C)C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@]1(C)O)[C@H]23,C18H25NO6,,351.16818752,IAPHXJRHXBQDQJ,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Jacobaea cannabifolia,117029.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Jacobaea'],['Jacobaea cannabifolia'],4,3,7.233917951583862 139602,5946,1291,Shikimates and Phenylpropanoids,Ornithine alkaloids,Pyrrolizidine alkaloids,0.4334795,ISDB,IAPHXJRHXBQDQJ-WKMWQDDRSA-N,"InChI=1S/C18H25NO6/c1-10-8-18(11(2)25-18)16(21)24-13-5-7-19-6-4-12(14(13)19)9-23-15(20)17(10,3)22/h4,10-11,13-14,22H,5-9H2,1-3H3/t10-,11+,13-,14-,17-,18+/m1/s1",C[C@@H]1C[C@@]2(O[C@H]2C)C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@]1(C)O)[C@H]23,C18H25NO6,,351.16818752,IAPHXJRHXBQDQJ,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Jacobaea gnaphalioides,577409.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Jacobaea'],['Jacobaea gnaphalioides'],4,3,7.233917951583862 139603,5946,1291,Shikimates and Phenylpropanoids,Ornithine alkaloids,Pyrrolizidine alkaloids,0.4334795,ISDB,IAPHXJRHXBQDQJ-WKMWQDDRSA-N,"InChI=1S/C18H25NO6/c1-10-8-18(11(2)25-18)16(21)24-13-5-7-19-6-4-12(14(13)19)9-23-15(20)17(10,3)22/h4,10-11,13-14,22H,5-9H2,1-3H3/t10-,11+,13-,14-,17-,18+/m1/s1",C[C@@H]1C[C@@]2(O[C@H]2C)C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@]1(C)O)[C@H]23,C18H25NO6,,351.16818752,IAPHXJRHXBQDQJ,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Jacobaea vulgaris,238719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Jacobaea'],['Jacobaea vulgaris'],4,3,7.233917951583862 139604,5946,1291,Shikimates and Phenylpropanoids,Ornithine alkaloids,Pyrrolizidine alkaloids,0.4334795,ISDB,IAPHXJRHXBQDQJ-YLFNNMARSA-N,"InChI=1S/C18H25NO6/c1-10-8-18(11(2)25-18)16(21)24-13-5-7-19-6-4-12(14(13)19)9-23-15(20)17(10,3)22/h4,10-11,13-14,22H,5-9H2,1-3H3/t10-,11-,13-,14-,17-,18+/m1/s1",C[C@@H]1C[C@@]2(O[C@@H]2C)C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@]1(C)O)[C@H]23,C18H25NO6,,351.16818751999995,IAPHXJRHXBQDQJ,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Crotalaria anagyroides,7633465.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Crotalarieae'],['Crotalaria'],['Crotalaria anagyroides'],4,3,7.233917951583862 139605,5946,1291,Shikimates and Phenylpropanoids,Ornithine alkaloids,Pyrrolizidine alkaloids,0.4334795,ISDB,IAPHXJRHXBQDQJ-YLFNNMARSA-N,"InChI=1S/C18H25NO6/c1-10-8-18(11(2)25-18)16(21)24-13-5-7-19-6-4-12(14(13)19)9-23-15(20)17(10,3)22/h4,10-11,13-14,22H,5-9H2,1-3H3/t10-,11-,13-,14-,17-,18+/m1/s1",C[C@@H]1C[C@@]2(O[C@@H]2C)C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@]1(C)O)[C@H]23,C18H25NO6,,351.16818751999995,IAPHXJRHXBQDQJ,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Crotalaria micans,227361.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Crotalarieae'],['Crotalaria'],['Crotalaria micans'],4,3,7.233917951583862 139590,5945,759,Alkaloids,Tyrosine alkaloids,Terpenoid alkaloids,0.6201703,ISDB,UAEQPGJNTGBPLI-AWEZNQCLSA-N,"InChI=1S/C19H19NO5/c1-24-15-9-11-8-14-13-4-3-12(21)7-10(13)5-6-20(14)19(23)16(11)18(25-2)17(15)22/h3-4,7,9,14,21-22H,5-6,8H2,1-2H3/t14-/m0/s1",COc1cc2c(c(OC)c1O)C(=O)N1CCc3cc(O)ccc3[C@@H]1C2,C19H19NO5,,341.126322708,UAEQPGJNTGBPLI,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Polyalthia longifolia,204189.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Miliuseae'],['Monoon'],['Monoon longifolium'],0,2,3.4806811809539795 139584,5944,-1,,,,0.0,MS1_match,BNBCNSZOUCPLOA-YLJYHZDGSA-N,"InChI=1S/C20H18O9/c21-14-6-1-12(2-7-14)5-10-16(23)29-17(18(24)25)20(28,19(26)27)11-13-3-8-15(22)9-4-13/h1-10,17,21-22,28H,11H2,(H,24,25)(H,26,27)/t17-,20-/m1/s1",O=C(C=Cc1ccc(O)cc1)O[C@H](C(=O)O)[C@](O)(Cc1ccc(O)cc1)C(=O)O,C20H18O9,pos_1_1proton,402.095082156,BNBCNSZOUCPLOA,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Actaea simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],6,0,6.0 139585,5944,-1,,,,0.0,MS1_match,BNBCNSZOUCPLOA-YLJYHZDGSA-N,"InChI=1S/C20H18O9/c21-14-6-1-12(2-7-14)5-10-16(23)29-17(18(24)25)20(28,19(26)27)11-13-3-8-15(22)9-4-13/h1-10,17,21-22,28H,11H2,(H,24,25)(H,26,27)/t17-,20-/m1/s1",O=C(C=Cc1ccc(O)cc1)O[C@H](C(=O)O)[C@](O)(Cc1ccc(O)cc1)C(=O)O,C20H18O9,pos_1_1proton,402.095082156,BNBCNSZOUCPLOA,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Actaea japonica,988749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea japonica'],6,0,6.0 139586,5944,-1,,,,0.0,MS1_match,BNBCNSZOUCPLOA-YLJYHZDGSA-N,"InChI=1S/C20H18O9/c21-14-6-1-12(2-7-14)5-10-16(23)29-17(18(24)25)20(28,19(26)27)11-13-3-8-15(22)9-4-13/h1-10,17,21-22,28H,11H2,(H,24,25)(H,26,27)/t17-,20-/m1/s1",O=C(C=Cc1ccc(O)cc1)O[C@H](C(=O)O)[C@](O)(Cc1ccc(O)cc1)C(=O)O,C20H18O9,pos_1_1proton,402.095082156,BNBCNSZOUCPLOA,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cimicifuga simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],6,0,6.0 139587,5944,-1,,,,0.0,MS1_match,RHQXHDXIEARXSC-DTLVDHMJSA-N,"InChI=1S/C20H18O9/c21-14-8-6-12(10-15(14)22)7-9-16(23)29-17(18(24)25)20(28,19(26)27)11-13-4-2-1-3-5-13/h1-10,17,21-22,28H,11H2,(H,24,25)(H,26,27)/b9-7+/t17-,20-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](C(=O)O)[C@](O)(Cc1ccccc1)C(=O)O,C20H18O9,pos_1_1proton,402.09508215599993,RHQXHDXIEARXSC,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Actaea simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],6,0,6.0 139588,5944,-1,,,,0.0,MS1_match,RHQXHDXIEARXSC-DTLVDHMJSA-N,"InChI=1S/C20H18O9/c21-14-8-6-12(10-15(14)22)7-9-16(23)29-17(18(24)25)20(28,19(26)27)11-13-4-2-1-3-5-13/h1-10,17,21-22,28H,11H2,(H,24,25)(H,26,27)/b9-7+/t17-,20-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](C(=O)O)[C@](O)(Cc1ccccc1)C(=O)O,C20H18O9,pos_1_1proton,402.09508215599993,RHQXHDXIEARXSC,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Actaea japonica,988749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea japonica'],6,0,6.0 139589,5944,-1,,,,0.0,MS1_match,RHQXHDXIEARXSC-DTLVDHMJSA-N,"InChI=1S/C20H18O9/c21-14-8-6-12(10-15(14)22)7-9-16(23)29-17(18(24)25)20(28,19(26)27)11-13-4-2-1-3-5-13/h1-10,17,21-22,28H,11H2,(H,24,25)(H,26,27)/b9-7+/t17-,20-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](C(=O)O)[C@](O)(Cc1ccccc1)C(=O)O,C20H18O9,pos_1_1proton,402.09508215599993,RHQXHDXIEARXSC,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cimicifuga simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],6,0,6.0 139582,5943,343,Polyketides,Cyclic polyketides,Phthalide derivatives,0.0,MS1_match,OGTYTYOKQRCQEM-UHFFFAOYSA-N,"InChI=1S/C14H12O4/c1-14(2)6-5-9-8-3-4-12(16)17-11(8)7-10(15)13(9)18-14/h3-7,15H,1-2H3",CC1(C)C=Cc2c(c(O)cc3oc(=O)ccc23)O1,C14H12O4,pos_2_2proton,244.073558864,OGTYTYOKQRCQEM,Shikimates and Phenylpropanoids,Coumarins,Pyranocoumarins,Clematis chinensis,841986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis chinensis'],8,0,8.0 139578,5940,58,Polyketides,Glycerolipids,Glycosyldiacylglycerols,0.59199685,ISDB,DBHKHNGBVGWQJE-USWSLJGRSA-N,"InChI=1S/C23H44NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)29-20-22(25)21-31-32(27,28)30-19-18-24/h6-7,9-10,22,25H,2-5,8,11-21,24H2,1H3,(H,27,28)/b7-6-,10-9-/t22-/m1/s1",CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OCCN,C23H44NO7P,,477.285539378,DBHKHNGBVGWQJE,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,Vitis vinifera,756728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Vitales'],['Vitaceae'],['Viteae'],['Vitis'],['Vitis vinifera'],4,0,6.367987394332886 139524,5939,213,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,ZHFDCOHUCIESBS-KVJIRVJXSA-N,"InChI=1S/C22H28O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h7-8,10,12,17,20-21H,6,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)C=C(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H28O8,pos_2_2proton,420.1784178559999,ZHFDCOHUCIESBS,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana sorbifolia,445623.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana sorbifolia'],6,3,7.5 139525,5939,213,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,ZHFDCOHUCIESBS-UHFFFAOYSA-N,"InChI=1S/C22H28O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h7-8,10,12,17,20-21H,6,9,11H2,1-5H3",CC(=O)OCC1=COC(OC(=O)C=C(C)C)C2C1=CC(OC(=O)CC(C)C)C21CO1,C22H28O8,pos_2_2proton,420.178417856,ZHFDCOHUCIESBS,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,3,7.5 139526,5939,213,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,ZHFDCOHUCIESBS-KVJIRVJXSA-N,"InChI=1S/C22H28O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h7-8,10,12,17,20-21H,6,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)C=C(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H28O8,pos_2_2proton,420.1784178559999,ZHFDCOHUCIESBS,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana sorbifolia,445623.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana sorbifolia'],6,3,7.5 139527,5939,213,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,ZHFDCOHUCIESBS-UHFFFAOYSA-N,"InChI=1S/C22H28O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h7-8,10,12,17,20-21H,6,9,11H2,1-5H3",CC(=O)OCC1=COC(OC(=O)C=C(C)C)C2C1=CC(OC(=O)CC(C)C)C21CO1,C22H28O8,pos_2_2proton,420.178417856,ZHFDCOHUCIESBS,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,3,7.5 139520,5936,-1,,,,0.7983962,ISDB,,,,,,,DXVUYOAEDJXBPY,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,3.19358491897583 139512,5935,206,Amino acids and Peptides,Small peptides,Tripeptides,0.25224784,ISDB,CGHXMODRYJISSK-NHCYSSNCSA-N,"InChI=1S/C15H27N3O6/c1-7(2)5-9(16)13(21)18-12(8(3)4)14(22)17-10(15(23)24)6-11(19)20/h7-10,12H,5-6,16H2,1-4H3,(H,17,22)(H,18,21)(H,19,20)(H,23,24)/t9-,10-,12-/m0/s1",CC(C)C[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)C(C)C,C15H27N3O6,,345.189985584,CGHXMODRYJISSK,Amino acids and Peptides,Small peptides,Tripeptides,Trypanosoma brucei,494245.0,['Eukaryota'],['Unknown'],['Unknown'],['Unknown'],['Kinetoplastea'],['Unknown'],['Unknown'],['Trypanosoma'],['Trypanosoma brucei'],1,3,3.5089913606643677 139510,5933,893,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,0.0,MS1_match,XACDKHBZZCTLAX-LYPCXQPCSA-N,"InChI=1S/C25H34O10/c1-7-14(4)8-20(28)35-24-21-18(9-19(33-15(5)26)25(21)12-32-25)17(11-31-24)10-30-23(29)22(13(2)3)34-16(6)27/h9,11,13-14,19,21-22,24H,7-8,10,12H2,1-6H3/t14-,19-,21+,22+,24-,25+/m0/s1",CC[C@H](C)CC(=O)O[C@@H]1OC=C(COC(=O)[C@H](OC(C)=O)C(C)C)C2=C[C@H](OC(C)=O)[C@]3(CO3)[C@H]21,C25H34O10,pos_1_1proton1ammonium,494.215197288,XACDKHBZZCTLAX,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,1,6.5 139511,5933,893,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,0.0,MS1_match,QJEWSMDVLSEWAR-NUXWWDJCSA-N,"InChI=1S/C25H34O10/c1-7-14(2)8-20(28)34-23-22-18(17(12-31-23)11-30-15(3)26)9-19(25(22)13-32-25)33-21(29)10-24(5,6)35-16(4)27/h9,12,14,19,22-23H,7-8,10-11,13H2,1-6H3/t14-,19+,22-,23+,25-/m1/s1",CC[C@@H](C)CC(=O)O[C@@H]1OC=C(COC(C)=O)C2=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]3(CO3)[C@H]21,C25H34O10,pos_1_1proton1ammonium,494.215197288,QJEWSMDVLSEWAR,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,1,6.5 139476,5932,641,Alkaloids,Tryptophan alkaloids,3-Spirotetramic acids,0.40786746,ISDB,CLWJGNIITFMBQR-WOJBJXKFSA-N,"InChI=1S/C20H23NO6/c1-21-14(23)10-19-9-12(22)17(26-3)18(27-4)20(19,21)8-7-11-5-6-13(25-2)16(24)15(11)19/h5-6,24H,7-10H2,1-4H3/t19-,20-/m1/s1",COC1=C(OC)[C@]23CCc4ccc(OC)c(O)c4[C@@]2(CC1=O)CC(=O)N3C,C20H23NO6,,373.152537456,CLWJGNIITFMBQR,Alkaloids,Tyrosine alkaloids,Hasubanan alkaloids,Stephania japonica,576460.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Menispermaceae'],['Cissampelideae'],['Stephania'],['Stephania japonica'],4,1,6.1314698457717896 139477,5932,641,Alkaloids,Tryptophan alkaloids,3-Spirotetramic acids,0.40786746,ISDB,CLWJGNIITFMBQR-WOJBJXKFSA-N,"InChI=1S/C20H23NO6/c1-21-14(23)10-19-9-12(22)17(26-3)18(27-4)20(19,21)8-7-11-5-6-13(25-2)16(24)15(11)19/h5-6,24H,7-10H2,1-4H3/t19-,20-/m1/s1",COC1=C(OC)[C@]23CCc4ccc(OC)c(O)c4[C@@]2(CC1=O)CC(=O)N3C,C20H23NO6,,373.152537456,CLWJGNIITFMBQR,Alkaloids,Tyrosine alkaloids,Hasubanan alkaloids,Stephania cephalantha,292978.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Menispermaceae'],['Cissampelideae'],['Stephania'],['Stephania cephalantha'],4,1,6.1314698457717896 139478,5932,641,Alkaloids,Tryptophan alkaloids,3-Spirotetramic acids,0.40786746,ISDB,CLWJGNIITFMBQR-UHFFFAOYSA-N,"InChI=1S/C20H23NO6/c1-21-14(23)10-19-9-12(22)17(26-3)18(27-4)20(19,21)8-7-11-5-6-13(25-2)16(24)15(11)19/h5-6,24H,7-10H2,1-4H3",COC1=C(OC)C23CCc4ccc(OC)c(O)c4C2(CC1=O)CC(=O)N3C,C20H23NO6,,373.152537456,CLWJGNIITFMBQR,Alkaloids,Tyrosine alkaloids,Hasubanan alkaloids,Stephania sasakii,6130073.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Menispermaceae'],['Cissampelideae'],['Stephania'],['Stephania sasakii'],4,1,6.1314698457717896 139479,5932,641,Alkaloids,Tryptophan alkaloids,3-Spirotetramic acids,0.40786746,ISDB,CLWJGNIITFMBQR-UHFFFAOYSA-N,"InChI=1S/C20H23NO6/c1-21-14(23)10-19-9-12(22)17(26-3)18(27-4)20(19,21)8-7-11-5-6-13(25-2)16(24)15(11)19/h5-6,24H,7-10H2,1-4H3",COC1=C(OC)C23CCc4ccc(OC)c(O)c4C2(CC1=O)CC(=O)N3C,C20H23NO6,,373.152537456,CLWJGNIITFMBQR,Alkaloids,Tyrosine alkaloids,Hasubanan alkaloids,Stephania merrillii,6130047.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Menispermaceae'],['Cissampelideae'],['Stephania'],['Stephania corymbosa'],4,1,6.1314698457717896 139480,5932,641,Alkaloids,Tryptophan alkaloids,3-Spirotetramic acids,0.40786746,ISDB,CLWJGNIITFMBQR-UHFFFAOYSA-N,"InChI=1S/C20H23NO6/c1-21-14(23)10-19-9-12(22)17(26-3)18(27-4)20(19,21)8-7-11-5-6-13(25-2)16(24)15(11)19/h5-6,24H,7-10H2,1-4H3",COC1=C(OC)C23CCc4ccc(OC)c(O)c4C2(CC1=O)CC(=O)N3C,C20H23NO6,,373.152537456,CLWJGNIITFMBQR,Alkaloids,Tyrosine alkaloids,Hasubanan alkaloids,Stephania corymbosa,6130047.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Menispermaceae'],['Cissampelideae'],['Stephania'],['Stephania corymbosa'],4,1,6.1314698457717896 139289,5930,207,Shikimates and Phenylpropanoids,Tyrosine alkaloids,Amarylidaceae alkaloids,0.80324256,ISDB,WUKVVZRDLIZYGM-UHFFFAOYSA-N,"InChI=1S/C16H17NO4/c1-17-5-4-8-2-3-13-14(15(8)17)9-6-11(18)12(19)7-10(9)16(20)21-13/h2,6-7,13-15,18-19H,3-5H2,1H3",CN1CCC2=CCC3OC(=O)c4cc(O)c(O)cc4C3C21,C16H17NO4,,287.115758024,WUKVVZRDLIZYGM,Alkaloids,Tyrosine alkaloids,Amarylidaceae alkaloids,Narcissus papyraceus,625035.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Unknown'],['Narcissus'],['Narcissus papyraceus'],4,3,8.71297025680542 139228,5929,-1,,,,0.0,MS1_match,PGOYMURMZNDHNS-MYPRUECHSA-N,"InChI=1S/C30H48O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O4,pos_1_1proton,472.355260016,PGOYMURMZNDHNS,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis vitalba,756499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis vitalba'],8,0,8.0 139229,5929,-1,,,,0.0,MS1_match,PGOYMURMZNDHNS-MYPRUECHSA-N,"InChI=1S/C30H48O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O4,pos_1_1proton,472.355260016,PGOYMURMZNDHNS,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis vitalba,756499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis vitalba'],8,0,8.0 139230,5929,-1,,,,0.0,MS1_match,PGOYMURMZNDHNS-MYPRUECHSA-N,"InChI=1S/C30H48O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O4,pos_1_1proton,472.355260016,PGOYMURMZNDHNS,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis chinensis,841986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis chinensis'],8,0,8.0 139231,5929,-1,,,,0.0,MS1_match,PGOYMURMZNDHNS-MYPRUECHSA-N,"InChI=1S/C30H48O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O4,pos_1_1proton,472.355260016,PGOYMURMZNDHNS,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis chinensis,841986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis chinensis'],8,0,8.0 139213,5927,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,OHJWWOZXCKEOGK-LZIBPDADSA-N,"InChI=1S/C47H76O16/c1-22-30(50)36(62-38-34(54)33(53)32(52)26(20-48)60-38)35(55)39(59-22)63-37-31(51)25(49)21-58-40(37)61-29-12-13-44(6)27(43(29,4)5)11-14-46(8)28(44)10-9-23-24-19-42(2,3)15-17-47(24,41(56)57)18-16-45(23,46)7/h9,22,24-40,48-55H,10-21H2,1-8H3,(H,56,57)/t22-,24-,25-,26+,27-,28+,29-,30-,31-,32+,33-,34+,35+,36+,37+,38-,39-,40-,44-,45+,46+,47+/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@]4(C)[C@H]5CC=C6[C@@H]7CC(C)(C)CC[C@@]7(C(=O)O)CC[C@@]6(C)[C@]5(C)CC[C@H]4C3(C)C)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C47H76O16,pos_1_1proton,896.513336352,OHJWWOZXCKEOGK,Terpenoids,Triterpenoids,Oleanane triterpenoids,Pulsatilla chinensis,34150.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Pulsatilla'],['Pulsatilla chinensis'],7,3,8.5 139214,5927,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,OHJWWOZXCKEOGK-YDOLDEOXSA-N,"InChI=1S/C47H76O16/c1-22-30(50)36(62-38-34(54)33(53)32(52)26(20-48)60-38)35(55)39(59-22)63-37-31(51)25(49)21-58-40(37)61-29-12-13-44(6)27(43(29,4)5)11-14-46(8)28(44)10-9-23-24-19-42(2,3)15-17-47(24,41(56)57)18-16-45(23,46)7/h9,22,24-40,48-55H,10-21H2,1-8H3,(H,56,57)/t22-,24-,25-,26+,27-,28+,29-,30-,31-,32+,33-,34+,35+,36+,37+,38-,39-,40-,44-,45+,46+,47-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@]4(C)[C@H]5CC=C6[C@@H]7CC(C)(C)CC[C@]7(C(=O)O)CC[C@@]6(C)[C@]5(C)CC[C@H]4C3(C)C)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C47H76O16,pos_1_1proton,896.5133363520001,OHJWWOZXCKEOGK,Terpenoids,Triterpenoids,Oleanane triterpenoids,Pulsatilla cernua,542352.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Pulsatilla'],['Pulsatilla cernua'],7,3,8.5 139215,5927,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,OHJWWOZXCKEOGK-LZIBPDADSA-N,"InChI=1S/C47H76O16/c1-22-30(50)36(62-38-34(54)33(53)32(52)26(20-48)60-38)35(55)39(59-22)63-37-31(51)25(49)21-58-40(37)61-29-12-13-44(6)27(43(29,4)5)11-14-46(8)28(44)10-9-23-24-19-42(2,3)15-17-47(24,41(56)57)18-16-45(23,46)7/h9,22,24-40,48-55H,10-21H2,1-8H3,(H,56,57)/t22-,24-,25-,26+,27-,28+,29-,30-,31-,32+,33-,34+,35+,36+,37+,38-,39-,40-,44-,45+,46+,47+/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@]4(C)[C@H]5CC=C6[C@@H]7CC(C)(C)CC[C@@]7(C(=O)O)CC[C@@]6(C)[C@]5(C)CC[C@H]4C3(C)C)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C47H76O16,pos_1_1proton,896.513336352,OHJWWOZXCKEOGK,Terpenoids,Triterpenoids,Oleanane triterpenoids,Pulsatilla chinensis,34150.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Pulsatilla'],['Pulsatilla chinensis'],7,3,8.5 139216,5927,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,OHJWWOZXCKEOGK-YDOLDEOXSA-N,"InChI=1S/C47H76O16/c1-22-30(50)36(62-38-34(54)33(53)32(52)26(20-48)60-38)35(55)39(59-22)63-37-31(51)25(49)21-58-40(37)61-29-12-13-44(6)27(43(29,4)5)11-14-46(8)28(44)10-9-23-24-19-42(2,3)15-17-47(24,41(56)57)18-16-45(23,46)7/h9,22,24-40,48-55H,10-21H2,1-8H3,(H,56,57)/t22-,24-,25-,26+,27-,28+,29-,30-,31-,32+,33-,34+,35+,36+,37+,38-,39-,40-,44-,45+,46+,47-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@]4(C)[C@H]5CC=C6[C@@H]7CC(C)(C)CC[C@]7(C(=O)O)CC[C@@]6(C)[C@]5(C)CC[C@H]4C3(C)C)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C47H76O16,pos_1_1proton,896.5133363520001,OHJWWOZXCKEOGK,Terpenoids,Triterpenoids,Oleanane triterpenoids,Pulsatilla cernua,542352.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Pulsatilla'],['Pulsatilla cernua'],7,3,8.5 139217,5927,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,FYSAXYBPXKLMJO-IFECXJOTSA-N,"InChI=1S/C47H76O16/c1-22-30(49)33(52)35(54)38(59-22)63-37-32(51)26(61-39-36(55)34(53)31(50)25(20-48)60-39)21-58-40(37)62-29-12-13-44(6)27(43(29,4)5)11-14-46(8)28(44)10-9-23-24-19-42(2,3)15-17-47(24,41(56)57)18-16-45(23,46)7/h9,22,24-40,48-55H,10-21H2,1-8H3,(H,56,57)/t22-,24-,25+,26-,27-,28+,29-,30-,31+,32-,33+,34-,35+,36+,37+,38-,39-,40-,44-,45+,46+,47-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@]4(C)[C@H]5CC=C6[C@@H]7CC(C)(C)CC[C@]7(C(=O)O)CC[C@@]6(C)[C@]5(C)CC[C@H]4C3(C)C)OC[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C47H76O16,pos_1_1proton,896.5133363520004,FYSAXYBPXKLMJO,Terpenoids,Triterpenoids,Oleanane triterpenoids,Pulsatilla chinensis,34150.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Pulsatilla'],['Pulsatilla chinensis'],7,3,8.5 139218,5927,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,FYSAXYBPXKLMJO-IFECXJOTSA-N,"InChI=1S/C47H76O16/c1-22-30(49)33(52)35(54)38(59-22)63-37-32(51)26(61-39-36(55)34(53)31(50)25(20-48)60-39)21-58-40(37)62-29-12-13-44(6)27(43(29,4)5)11-14-46(8)28(44)10-9-23-24-19-42(2,3)15-17-47(24,41(56)57)18-16-45(23,46)7/h9,22,24-40,48-55H,10-21H2,1-8H3,(H,56,57)/t22-,24-,25+,26-,27-,28+,29-,30-,31+,32-,33+,34-,35+,36+,37+,38-,39-,40-,44-,45+,46+,47-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@]4(C)[C@H]5CC=C6[C@@H]7CC(C)(C)CC[C@]7(C(=O)O)CC[C@@]6(C)[C@]5(C)CC[C@H]4C3(C)C)OC[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C47H76O16,pos_1_1proton,896.5133363520004,FYSAXYBPXKLMJO,Terpenoids,Triterpenoids,Oleanane triterpenoids,Pulsatilla cernua,542352.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Pulsatilla'],['Pulsatilla cernua'],7,3,8.5 139219,5927,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,BWNBCQHJURTQKQ-ADNOESIESA-N,"InChI=1S/C47H76O16/c1-22-30(50)32(52)37(63-39-34(54)31(51)25(20-48)59-39)40(58-22)62-36-26(21-49)60-38(35(55)33(36)53)61-29-12-13-44(6)27(43(29,4)5)11-14-46(8)28(44)10-9-23-24-19-42(2,3)15-17-47(24,41(56)57)18-16-45(23,46)7/h9,22,24-40,48-55H,10-21H2,1-8H3,(H,56,57)/t22-,24-,25-,26+,27-,28+,29-,30-,31-,32+,33+,34+,35+,36+,37+,38-,39-,40-,44-,45+,46+,47-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3CC[C@]4(C)[C@H]5CC=C6[C@@H]7CC(C)(C)CC[C@]7(C(=O)O)CC[C@@]6(C)[C@]5(C)CC[C@H]4C3(C)C)O[C@@H]2CO)[C@H](O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O,C47H76O16,pos_1_1proton,896.513336352,BWNBCQHJURTQKQ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Anemone multifida,896056.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Anemone'],['Anemone multifida'],7,3,8.5 139220,5927,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,BWNBCQHJURTQKQ-ADNOESIESA-N,"InChI=1S/C47H76O16/c1-22-30(50)32(52)37(63-39-34(54)31(51)25(20-48)59-39)40(58-22)62-36-26(21-49)60-38(35(55)33(36)53)61-29-12-13-44(6)27(43(29,4)5)11-14-46(8)28(44)10-9-23-24-19-42(2,3)15-17-47(24,41(56)57)18-16-45(23,46)7/h9,22,24-40,48-55H,10-21H2,1-8H3,(H,56,57)/t22-,24-,25-,26+,27-,28+,29-,30-,31-,32+,33+,34+,35+,36+,37+,38-,39-,40-,44-,45+,46+,47-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3CC[C@]4(C)[C@H]5CC=C6[C@@H]7CC(C)(C)CC[C@]7(C(=O)O)CC[C@@]6(C)[C@]5(C)CC[C@H]4C3(C)C)O[C@@H]2CO)[C@H](O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O,C47H76O16,pos_1_1proton,896.513336352,BWNBCQHJURTQKQ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Anemone narcissiflora,896053.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Anemone'],['Anemone narcissiflora'],7,3,8.5 139221,5927,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,BWNBCQHJURTQKQ-ADNOESIESA-N,"InChI=1S/C47H76O16/c1-22-30(50)32(52)37(63-39-34(54)31(51)25(20-48)59-39)40(58-22)62-36-26(21-49)60-38(35(55)33(36)53)61-29-12-13-44(6)27(43(29,4)5)11-14-46(8)28(44)10-9-23-24-19-42(2,3)15-17-47(24,41(56)57)18-16-45(23,46)7/h9,22,24-40,48-55H,10-21H2,1-8H3,(H,56,57)/t22-,24-,25-,26+,27-,28+,29-,30-,31-,32+,33+,34+,35+,36+,37+,38-,39-,40-,44-,45+,46+,47-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3CC[C@]4(C)[C@H]5CC=C6[C@@H]7CC(C)(C)CC[C@]7(C(=O)O)CC[C@@]6(C)[C@]5(C)CC[C@H]4C3(C)C)O[C@@H]2CO)[C@H](O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O,C47H76O16,pos_1_1proton,896.513336352,BWNBCQHJURTQKQ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Anemonastrum narcissiflorum,896053.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Anemone'],['Anemone narcissiflora'],7,3,8.5 139206,5926,-1,,,,0.0,MS1_match,NXJMINIPVKJRHD-CXGIBTINSA-N,"InChI=1S/C47H76O17/c1-22-30(51)33(54)35(56)38(60-22)63-37-31(52)25(50)20-59-40(37)62-29-11-12-43(4)27(44(29,5)21-49)10-13-46(7)28(43)9-8-23-24-18-42(2,3)14-16-47(24,17-15-45(23,46)6)41(58)64-39-36(57)34(55)32(53)26(19-48)61-39/h8,22,24-40,48-57H,9-21H2,1-7H3/t22-,24-,25-,26+,27+,28+,29-,30-,31-,32+,33+,34-,35+,36+,37+,38-,39-,40-,43-,44-,45+,46+,47-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)CC[C@]6(C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]45C)[C@]3(C)CO)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C47H76O17,pos_1_sodium,912.5082509720004,NXJMINIPVKJRHD,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 139207,5926,-1,,,,0.0,MS1_match,NXJMINIPVKJRHD-CXGIBTINSA-N,"InChI=1S/C47H76O17/c1-22-30(51)33(54)35(56)38(60-22)63-37-31(52)25(50)20-59-40(37)62-29-11-12-43(4)27(44(29,5)21-49)10-13-46(7)28(43)9-8-23-24-18-42(2,3)14-16-47(24,17-15-45(23,46)6)41(58)64-39-36(57)34(55)32(53)26(19-48)61-39/h8,22,24-40,48-57H,9-21H2,1-7H3/t22-,24-,25-,26+,27+,28+,29-,30-,31-,32+,33+,34-,35+,36+,37+,38-,39-,40-,43-,44-,45+,46+,47-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)CC[C@]6(C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]45C)[C@]3(C)CO)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C47H76O17,pos_1_sodium,912.5082509720004,NXJMINIPVKJRHD,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 139208,5926,-1,,,,0.0,MS1_match,NFIQKUQYFSTGFU-VWZQPUASSA-N,"InChI=1S/C47H76O17/c1-42(2)14-16-47(41(58)64-40-37(57)34(54)32(52)26(62-40)21-60-38-36(56)33(53)31(51)25(19-48)61-38)17-15-45(6)22(23(47)18-42)8-9-28-44(5)12-11-29(43(3,4)27(44)10-13-46(28,45)7)63-39-35(55)30(50)24(49)20-59-39/h8,23-40,48-57H,9-21H2,1-7H3/t23-,24-,25+,26+,27-,28+,29-,30-,31+,32+,33-,34-,35+,36+,37+,38+,39-,40-,44-,45+,46+,47-/m0/s1",CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C47H76O17,pos_1_sodium,912.5082509720002,NFIQKUQYFSTGFU,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 139198,5925,-1,,,,0.0,MS1_match,LTVSLKWNAZKBEX-UHFFFAOYSA-N,"InChI=1S/C15H16O4/c1-10(2)5-15(17)19-8-12-7-18-9-14-11(6-16)3-4-13(12)14/h3-4,6-7,9-10H,5,8H2,1-2H3",CC(C)CC(=O)OCc1cocc2c(C=O)ccc1-2,C15H16O4,pos_1_1proton1ammonium,260.104858992,LTVSLKWNAZKBEX,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 139199,5925,-1,,,,0.0,MS1_match,LTVSLKWNAZKBEX-UHFFFAOYSA-N,"InChI=1S/C15H16O4/c1-10(2)5-15(17)19-8-12-7-18-9-14-11(6-16)3-4-13(12)14/h3-4,6-7,9-10H,5,8H2,1-2H3",CC(C)CC(=O)OCc1cocc2c(C=O)ccc1-2,C15H16O4,pos_1_1proton1ammonium,260.104858992,LTVSLKWNAZKBEX,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana edulis,646604.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana edulis'],6,0,6.0 139200,5925,-1,,,,0.0,MS1_match,LTVSLKWNAZKBEX-UHFFFAOYSA-N,"InChI=1S/C15H16O4/c1-10(2)5-15(17)19-8-12-7-18-9-14-11(6-16)3-4-13(12)14/h3-4,6-7,9-10H,5,8H2,1-2H3",CC(C)CC(=O)OCc1cocc2c(C=O)ccc1-2,C15H16O4,pos_1_1proton1ammonium,260.104858992,LTVSLKWNAZKBEX,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,0,6.0 139201,5925,-1,,,,0.0,MS1_match,LTVSLKWNAZKBEX-UHFFFAOYSA-N,"InChI=1S/C15H16O4/c1-10(2)5-15(17)19-8-12-7-18-9-14-11(6-16)3-4-13(12)14/h3-4,6-7,9-10H,5,8H2,1-2H3",CC(C)CC(=O)OCc1cocc2c(C=O)ccc1-2,C15H16O4,pos_1_1proton1ammonium,260.104858992,LTVSLKWNAZKBEX,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia rupestris,1035977.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia rupestris'],6,0,6.0 139202,5925,-1,,,,0.0,MS1_match,MUPAOXGYJYRUDB-LBPRGKRZSA-N,"InChI=1S/C15H16O4/c1-15(2)12(17-3)8-10-11(19-15)6-4-9-5-7-13(16)18-14(9)10/h4-7,12H,8H2,1-3H3/t12-/m0/s1",CO[C@H]1Cc2c(ccc3ccc(=O)oc23)OC1(C)C,C15H16O4,pos_1_1proton1ammonium,260.104858992,MUPAOXGYJYRUDB,Shikimates and Phenylpropanoids,Coumarins,Pyranocoumarins,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,0,6.0 139203,5925,-1,,,,0.0,MS1_match,MUPAOXGYJYRUDB-LBPRGKRZSA-N,"InChI=1S/C15H16O4/c1-15(2)12(17-3)8-10-11(19-15)6-4-9-5-7-13(16)18-14(9)10/h4-7,12H,8H2,1-3H3/t12-/m0/s1",CO[C@H]1Cc2c(ccc3ccc(=O)oc23)OC1(C)C,C15H16O4,pos_1_1proton1ammonium,260.104858992,MUPAOXGYJYRUDB,Shikimates and Phenylpropanoids,Coumarins,Pyranocoumarins,Nardostachys jatamansi,24101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Nardostachys'],['Nardostachys jatamansi'],6,0,6.0 139204,5925,-1,,,,0.0,MS1_match,SWHQTQFJVVJCQA-QMMMGPOBSA-N,"InChI=1S/C15H16O4/c1-7-9(16)5-6-10-11(7)13-12(14(17)19-10)15(3,4)8(2)18-13/h5-6,8,16H,1-4H3/t8-/m0/s1",Cc1c(O)ccc2oc(=O)c3c(c12)O[C@@H](C)C3(C)C,C15H16O4,pos_1_1proton1ammonium,260.104858992,SWHQTQFJVVJCQA,Shikimates and Phenylpropanoids,Coumarins,Furocoumarins,Glaucidium palmatum,889044.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Glaucidium'],['Glaucidium palmatum'],6,0,6.0 139205,5925,-1,,,,0.0,MS1_match,DWHDSRHHYMSXSP-UHFFFAOYSA-N,"InChI=1S/C13H16O4/c1-8(2)4-5-9-6-10(13(15)16)7-11(17-3)12(9)14/h4,6-7,14H,5H2,1-3H3,(H,15,16)",COc1cc(C(=O)O)cc(CC=C(C)C)c1O,C13H16O4,pos_1_1proton1acetonitrile,236.104858992,DWHDSRHHYMSXSP,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,Trollius chinensis,877307.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Adonideae'],['Trollius'],['Trollius chinensis'],6,0,6.0 139188,5922,11,Alkaloids,Monoterpenoids,Iridoids monoterpenoids,0.43387404,ISDB,PZNXWOJHEGLWBY-UHFFFAOYSA-N,"InChI=1S/C30H33NO6/c1-15-11-29-12-19(33)24-28(3)14-31(4)25-22(29)23(34)18(15)10-21(29)30(24,25)13-20(36-16(2)32)26(28)37-27(35)17-8-6-5-7-9-17/h5-9,18,20-22,24-26H,1,10-14H2,2-4H3",C=C1CC23CC(=O)C4C5(C)CN(C)C6C2C(=O)C1CC3C64CC(OC(C)=O)C5OC(=O)c1ccccc1,C30H33NO6,,503.230787776,PZNXWOJHEGLWBY,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum contortum,909683.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum contortum'],4,1,6.235496163368225 139189,5922,11,Alkaloids,Monoterpenoids,Iridoids monoterpenoids,0.43387404,ISDB,PZNXWOJHEGLWBY-UHFFFAOYSA-N,"InChI=1S/C30H33NO6/c1-15-11-29-12-19(33)24-28(3)14-31(4)25-22(29)23(34)18(15)10-21(29)30(24,25)13-20(36-16(2)32)26(28)37-27(35)17-8-6-5-7-9-17/h5-9,18,20-22,24-26H,1,10-14H2,2-4H3",C=C1CC23CC(=O)C4C5(C)CN(C)C6C2C(=O)C1CC3C64CC(OC(C)=O)C5OC(=O)c1ccccc1,C30H33NO6,,503.230787776,PZNXWOJHEGLWBY,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum episcopale,50065.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum episcopale'],4,1,6.235496163368225 139145,5920,-1,,,,0.0,MS1_match,BEGPRDHBWMCZLC-XYLSPBENSA-N,"InChI=1S/C15H24O2/c1-13(2)9-5-7-14(3)10(16)6-8-15(4,17)12(14)11(9)13/h9,11-12,17H,5-8H2,1-4H3/t9?,11?,12?,14-,15+/m1/s1",CC1(C)C2CC[C@]3(C)C(=O)CC[C@](C)(O)C3C21,C15H24O2,pos_2MH,236.177630008,BEGPRDHBWMCZLC,Terpenoids,Sesquiterpenoids,Aromadendrane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 139146,5920,-1,,,,0.0,MS1_match,PGOYMURMZNDHNS-NQDNWIIDSA-N,"InChI=1S/C30H48O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21-,22-,23-,26+,27-,28-,29-,30-/m1/s1",CC1(C)CC[C@@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@H]2C1,C30H48O4,pos_1_1proton,472.355260016,PGOYMURMZNDHNS,Terpenoids,Triterpenoids,Oleanane triterpenoids,Cephalaria transsylvanica,3892197.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Cephalaria'],['Cephalaria transsylvanica'],6,0,6.0 139147,5920,-1,,,,0.0,MS1_match,PGOYMURMZNDHNS-MYPRUECHSA-N,"InChI=1S/C30H48O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O4,pos_1_1proton,472.355260016,PGOYMURMZNDHNS,Terpenoids,Triterpenoids,Oleanane triterpenoids,Dipsacus azureus,6061231.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Dipsacus'],['Dipsacus azureus'],6,0,6.0 139148,5920,-1,,,,0.0,MS1_match,PGOYMURMZNDHNS-MYPRUECHSA-N,"InChI=1S/C30H48O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O4,pos_1_1proton,472.355260016,PGOYMURMZNDHNS,Terpenoids,Triterpenoids,Oleanane triterpenoids,Dipsacus dipsacoides,6061231.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Dipsacus'],['Dipsacus azureus'],6,0,6.0 139149,5920,-1,,,,0.0,MS1_match,PGOYMURMZNDHNS-MYPRUECHSA-N,"InChI=1S/C30H48O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O4,pos_1_1proton,472.355260016,PGOYMURMZNDHNS,Terpenoids,Triterpenoids,Oleanane triterpenoids,Cephalaria nachiczevanica,6061192.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Cephalaria'],['Cephalaria nachiczevanica'],6,0,6.0 139150,5920,-1,,,,0.0,MS1_match,PGOYMURMZNDHNS-MYPRUECHSA-N,"InChI=1S/C30H48O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O4,pos_1_1proton,472.355260016,PGOYMURMZNDHNS,Terpenoids,Triterpenoids,Oleanane triterpenoids,Cephalaria paphlagonica,977921.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Cephalaria'],['Cephalaria paphlagonica'],6,0,6.0 139151,5920,-1,,,,0.0,MS1_match,PGOYMURMZNDHNS-MYPRUECHSA-N,"InChI=1S/C30H48O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O4,pos_1_1proton,472.355260016,PGOYMURMZNDHNS,Terpenoids,Triterpenoids,Oleanane triterpenoids,Dipsacus asper,365911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Dipsacus'],['Dipsacus asper'],6,0,6.0 139152,5920,-1,,,,0.0,MS1_match,PGOYMURMZNDHNS-MYPRUECHSA-N,"InChI=1S/C30H48O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O4,pos_1_1proton,472.355260016,PGOYMURMZNDHNS,Terpenoids,Triterpenoids,Oleanane triterpenoids,Dipsacus inermis,776357.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Dipsacus'],['Dipsacus inermis'],6,0,6.0 139153,5920,-1,,,,0.0,MS1_match,PGOYMURMZNDHNS-MYPRUECHSA-N,"InChI=1S/C30H48O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O4,pos_1_1proton,472.355260016,PGOYMURMZNDHNS,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lomelosia olivieri,5746458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lomelosia'],['Lomelosia olivieri'],6,0,6.0 139154,5920,-1,,,,0.0,MS1_match,HFGSQOYIOKBQOW-UHFFFAOYSA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)",CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC43C)C2C1C,C30H48O4,pos_1_1proton,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Weigela subsessilis,82213.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Weigela'],['Weigela subsessilis'],6,0,6.0 139155,5920,-1,,,,0.0,MS1_match,PGOYMURMZNDHNS-MYPRUECHSA-N,"InChI=1S/C30H48O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O4,pos_1_1proton,472.355260016,PGOYMURMZNDHNS,Terpenoids,Triterpenoids,Oleanane triterpenoids,Dipsacus laciniatus,489131.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Dipsacus'],['Dipsacus laciniatus'],6,0,6.0 139156,5920,-1,,,,0.0,MS1_match,PGOYMURMZNDHNS-MYPRUECHSA-N,"InChI=1S/C30H48O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O4,pos_1_1proton,472.355260016,PGOYMURMZNDHNS,Terpenoids,Triterpenoids,Oleanane triterpenoids,Dipsacus azureus,6061231.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Dipsacus'],['Dipsacus azureus'],6,0,6.0 139157,5920,-1,,,,0.0,MS1_match,PGOYMURMZNDHNS-MYPRUECHSA-N,"InChI=1S/C30H48O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O4,pos_1_1proton,472.355260016,PGOYMURMZNDHNS,Terpenoids,Triterpenoids,Oleanane triterpenoids,Dipsacus dipsacoides,6061231.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Dipsacus'],['Dipsacus azureus'],6,0,6.0 139158,5920,-1,,,,0.0,MS1_match,PGOYMURMZNDHNS-MYPRUECHSA-N,"InChI=1S/C30H48O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O4,pos_1_1proton,472.355260016,PGOYMURMZNDHNS,Terpenoids,Triterpenoids,Oleanane triterpenoids,Cephalaria nachiczevanica,6061192.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Cephalaria'],['Cephalaria nachiczevanica'],6,0,6.0 139159,5920,-1,,,,0.0,MS1_match,PGOYMURMZNDHNS-MYPRUECHSA-N,"InChI=1S/C30H48O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O4,pos_1_1proton,472.355260016,PGOYMURMZNDHNS,Terpenoids,Triterpenoids,Oleanane triterpenoids,Cephalaria paphlagonica,977921.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Cephalaria'],['Cephalaria paphlagonica'],6,0,6.0 139160,5920,-1,,,,0.0,MS1_match,PGOYMURMZNDHNS-MYPRUECHSA-N,"InChI=1S/C30H48O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O4,pos_1_1proton,472.355260016,PGOYMURMZNDHNS,Terpenoids,Triterpenoids,Oleanane triterpenoids,Dipsacus asper,365911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Dipsacus'],['Dipsacus asper'],6,0,6.0 139161,5920,-1,,,,0.0,MS1_match,PGOYMURMZNDHNS-MYPRUECHSA-N,"InChI=1S/C30H48O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O4,pos_1_1proton,472.355260016,PGOYMURMZNDHNS,Terpenoids,Triterpenoids,Oleanane triterpenoids,Dipsacus inermis,776357.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Dipsacus'],['Dipsacus inermis'],6,0,6.0 139162,5920,-1,,,,0.0,MS1_match,PGOYMURMZNDHNS-MYPRUECHSA-N,"InChI=1S/C30H48O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O4,pos_1_1proton,472.355260016,PGOYMURMZNDHNS,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lomelosia olivieri,5746458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lomelosia'],['Lomelosia olivieri'],6,0,6.0 139163,5920,-1,,,,0.0,MS1_match,PGOYMURMZNDHNS-MYPRUECHSA-N,"InChI=1S/C30H48O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O4,pos_1_1proton,472.355260016,PGOYMURMZNDHNS,Terpenoids,Triterpenoids,Oleanane triterpenoids,Dipsacus laciniatus,489131.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Dipsacus'],['Dipsacus laciniatus'],6,0,6.0 139164,5920,-1,,,,0.0,MS1_match,PGOYMURMZNDHNS-NQDNWIIDSA-N,"InChI=1S/C30H48O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21-,22-,23-,26+,27-,28-,29-,30-/m1/s1",CC1(C)CC[C@@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@H]2C1,C30H48O4,pos_1_1proton,472.355260016,PGOYMURMZNDHNS,Terpenoids,Triterpenoids,Oleanane triterpenoids,Cephalaria transsylvanica,3892197.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Cephalaria'],['Cephalaria transsylvanica'],6,0,6.0 139165,5920,-1,,,,0.0,MS1_match,NZCULBURCGAPSF-PQWKYGPVSA-N,"InChI=1S/C30H48O4/c1-18-9-14-30(25(33)34)16-15-28(5)20(24(30)19(18)2)7-8-22-26(3)12-11-23(32)27(4,17-31)21(26)10-13-29(22,28)6/h7,18-19,21-24,31-32H,8-17H2,1-6H3,(H,33,34)/t18-,19+,21-,22-,23+,24+,26+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_1_1proton,472.3552600159999,NZCULBURCGAPSF,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Valeriana laxiflora,844983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana laxiflora'],6,0,6.0 139166,5920,-1,,,,0.0,MS1_match,HFGSQOYIOKBQOW-ZSDYHTTISA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_1_1proton,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Symphoricarpos albus,717590.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Symphoricarpos'],['Symphoricarpos albus'],6,0,6.0 139167,5920,-1,,,,0.0,MS1_match,HFGSQOYIOKBQOW-ZSDYHTTISA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_1_1proton,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Symphoricarpos albus,717590.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Symphoricarpos'],['Symphoricarpos albus'],6,0,6.0 139168,5920,-1,,,,0.0,MS1_match,BEGPRDHBWMCZLC-XYLSPBENSA-N,"InChI=1S/C15H24O2/c1-13(2)9-5-7-14(3)10(16)6-8-15(4,17)12(14)11(9)13/h9,11-12,17H,5-8H2,1-4H3/t9?,11?,12?,14-,15+/m1/s1",CC1(C)C2CC[C@]3(C)C(=O)CC[C@](C)(O)C3C21,C15H24O2,pos_2MH,236.177630008,BEGPRDHBWMCZLC,Terpenoids,Sesquiterpenoids,Aromadendrane sesquiterpenoids,Valeriana fauriei,228778.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana fauriei'],6,0,6.0 139169,5920,-1,,,,0.0,MS1_match,ZJIVEFDADFTLMI-ULWTYWRYSA-N,"InChI=1S/C15H24O2/c1-8-5-9(16)6-10-12(17)7-11-13(14(11,2)3)15(8,10)4/h6,8-9,11-13,16-17H,5,7H2,1-4H3/t8-,9-,11-,12+,13+,15+/m1/s1",C[C@@H]1C[C@@H](O)C=C2[C@@H](O)C[C@@H]3[C@@H](C3(C)C)[C@]21C,C15H24O2,pos_2MH,236.177630008,ZJIVEFDADFTLMI,Terpenoids,Sesquiterpenoids,Aristolane sesquiterpenoids,Nardostachys jatamansi,24101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Nardostachys'],['Nardostachys jatamansi'],6,0,6.0 139170,5920,-1,,,,0.0,MS1_match,DHOMMAYDBREASS-MRLBHPIUSA-N,"InChI=1S/C15H24O2/c1-9(2)15-8-5-10(3)11-6-7-14(4,16)12(11)13(15)17-15/h9,11-13,16H,3,5-8H2,1-2,4H3/t11-,12-,13+,14+,15+/m1/s1",C=C1CC[C@@]2(C(C)C)O[C@H]2[C@H]2[C@@H]1CC[C@]2(C)O,C15H24O2,pos_2MH,236.177630008,DHOMMAYDBREASS,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 139171,5920,-1,,,,0.0,MS1_match,TVGPYTOYKLZBPA-UHFFFAOYSA-N,"InChI=1S/C15H24O2/c1-10(2)7-14(16)17-9-11-5-6-12-8-13(11)15(12,3)4/h5,10,12-13H,6-9H2,1-4H3",CC(C)CC(=O)OCC1=CCC2CC1C2(C)C,C15H24O2,pos_2MH,236.177630008,TVGPYTOYKLZBPA,Terpenoids,Monoterpenoids,Pinane monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 139172,5920,-1,,,,0.0,MS1_match,XLZVKKAUANEKGL-UQXKVLDMSA-N,"InChI=1S/C15H24O2/c1-9-5-6-15(17)13(2,3)11-7-10(9)14(15,4)8-12(11)16/h9-11,17H,5-8H2,1-4H3/t9-,10-,11-,14-,15+/m0/s1",C[C@H]1CC[C@@]2(O)C(C)(C)[C@H]3C[C@@H]1[C@]2(C)CC3=O,C15H24O2,pos_2MH,236.177630008,XLZVKKAUANEKGL,Terpenoids,Sesquiterpenoids,Patchoulane sesquiterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,0,6.0 139173,5920,-1,,,,0.0,MS1_match,HFGSQOYIOKBQOW-UHFFFAOYSA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)",CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC43C)C2C1C,C30H48O4,pos_1_1proton,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Weigela subsessilis,82213.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Weigela'],['Weigela subsessilis'],6,0,6.0 139174,5920,-1,,,,0.0,MS1_match,NZCULBURCGAPSF-PQWKYGPVSA-N,"InChI=1S/C30H48O4/c1-18-9-14-30(25(33)34)16-15-28(5)20(24(30)19(18)2)7-8-22-26(3)12-11-23(32)27(4,17-31)21(26)10-13-29(22,28)6/h7,18-19,21-24,31-32H,8-17H2,1-6H3,(H,33,34)/t18-,19+,21-,22-,23+,24+,26+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_1_1proton,472.3552600159999,NZCULBURCGAPSF,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Valeriana laxiflora,844983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana laxiflora'],6,0,6.0 139175,5920,-1,,,,0.0,MS1_match,ZZTYPLSBNNGEIS-OPAXANQDSA-N,"InChI=1S/C30H48O4/c1-18-10-15-30(24(32)33)17-16-27(5)19(23(30)29(18,7)34)8-9-21-26(4)13-12-22(31)25(2,3)20(26)11-14-28(21,27)6/h8,18,20-23,31,34H,9-17H2,1-7H3,(H,32,33)/t18-,20+,21-,22+,23-,26+,27-,28-,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H48O4,pos_1_1proton,472.355260016,ZZTYPLSBNNGEIS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Weigela subsessilis,82213.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Weigela'],['Weigela subsessilis'],6,0,6.0 139176,5920,-1,,,,0.0,MS1_match,ZZTYPLSBNNGEIS-OPAXANQDSA-N,"InChI=1S/C30H48O4/c1-18-10-15-30(24(32)33)17-16-27(5)19(23(30)29(18,7)34)8-9-21-26(4)13-12-22(31)25(2,3)20(26)11-14-28(21,27)6/h8,18,20-23,31,34H,9-17H2,1-7H3,(H,32,33)/t18-,20+,21-,22+,23-,26+,27-,28-,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H48O4,pos_1_1proton,472.355260016,ZZTYPLSBNNGEIS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Weigela subsessilis,82213.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Weigela'],['Weigela subsessilis'],6,0,6.0 139177,5920,-1,,,,0.0,MS1_match,ZZTYPLSBNNGEIS-OPAXANQDSA-N,"InChI=1S/C30H48O4/c1-18-10-15-30(24(32)33)17-16-27(5)19(23(30)29(18,7)34)8-9-21-26(4)13-12-22(31)25(2,3)20(26)11-14-28(21,27)6/h8,18,20-23,31,34H,9-17H2,1-7H3,(H,32,33)/t18-,20+,21-,22+,23-,26+,27-,28-,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H48O4,pos_1_1proton,472.355260016,ZZTYPLSBNNGEIS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Weigela subsessilis,82213.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Weigela'],['Weigela subsessilis'],6,0,6.0 139143,5916,-1,,,,0.23225802,ISDB,URXNJUNXUWLMAY-KZVLYIKRSA-N,"InChI=1S/C27H36O3/c1-20(2)8-5-9-21(3)10-6-11-22(4)12-7-13-23-14-15-24-18-25(27(28)29)16-17-26(24)30-19-23/h8,10,12,14,16-18H,5-7,9,11,13,15,19H2,1-4H3,(H,28,29)/b21-10+,22-12+",CC(C)=CCC/C(C)=C/CC/C(C)=C/CCC1=CCc2cc(C(=O)O)ccc2OC1,C27H36O3,,408.2664450119999,URXNJUNXUWLMAY,Terpenoids,Meroterpenoids,Merosesquiterpenoids,Callophycus serratus,336004.0,['Eukaryota'],['Archaeplastida'],['Rhodophyta'],['Florideophycidae'],['Unknown'],['Unknown'],['Unknown'],['Callophycus'],['Callophycus serratus'],2,0,2.92903208732605 138781,5911,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.5665744,ISDB,FNUPUYFWZXZMIE-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2ccc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O6,,288.063388104,FNUPUYFWZXZMIE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Acacia elata,633797.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia elata'],4,2,7.2662975788116455 138782,5911,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.5665744,ISDB,FNUPUYFWZXZMIE-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2ccc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O6,,288.063388104,FNUPUYFWZXZMIE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Cotinus coggygria,876714.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Anacardiaceae'],['Unknown'],['Cotinus'],['Cotinus coggygria'],4,2,7.2662975788116455 138783,5911,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.5665744,ISDB,FNUPUYFWZXZMIE-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2ccc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O6,,288.063388104,FNUPUYFWZXZMIE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Rhus typhina,1010430.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Anacardiaceae'],['Unknown'],['Rhus'],['Rhus typhina'],4,2,7.2662975788116455 138784,5911,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.5665744,ISDB,FNUPUYFWZXZMIE-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2ccc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O6,,288.063388104,FNUPUYFWZXZMIE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prosopidastrum globosum,3918763.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Mimoseae'],['Prosopidastrum'],['Prosopidastrum globosum'],4,2,7.2662975788116455 138785,5911,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.5665744,ISDB,FNUPUYFWZXZMIE-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2ccc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O6,,288.063388104,FNUPUYFWZXZMIE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Brucea javanica,841359.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Simaroubaceae'],['Unknown'],['Brucea'],['Brucea javanica'],4,2,7.2662975788116455 138786,5911,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.5665744,ISDB,FNUPUYFWZXZMIE-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2ccc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O6,,288.063388104,FNUPUYFWZXZMIE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Gleditsia japonica,787616.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Gleditsia'],['Gleditsia japonica'],4,2,7.2662975788116455 138787,5911,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.5665744,ISDB,FNUPUYFWZXZMIE-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2ccc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O6,,288.063388104,FNUPUYFWZXZMIE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Lawsonia inermis,996694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Lythraceae'],['Unknown'],['Lawsonia'],['Lawsonia inermis'],4,2,7.2662975788116455 138788,5911,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.5665744,ISDB,FNUPUYFWZXZMIE-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2ccc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O6,,288.063388104,FNUPUYFWZXZMIE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Robinia pseudoacacia,928416.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Robinieae'],['Robinia'],['Robinia pseudoacacia'],4,2,7.2662975788116455 138789,5911,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.5665744,ISDB,FNUPUYFWZXZMIE-UHFFFAOYSA-N,"InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H",O=C1c2ccc(O)cc2OC(c2ccc(O)c(O)c2)C1O,C15H12O6,,288.063388104,FNUPUYFWZXZMIE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Solanum pseudocapsicum,121218.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum pseudocapsicum'],4,2,7.2662975788116455 138790,5911,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.5665744,ISDB,FNUPUYFWZXZMIE-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2ccc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O6,,288.063388104,FNUPUYFWZXZMIE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Toxicodendron vernicifluum,350856.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Anacardiaceae'],['Unknown'],['Toxicodendron'],['Toxicodendron vernicifluum'],4,2,7.2662975788116455 138791,5911,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.5665744,ISDB,FNUPUYFWZXZMIE-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2ccc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O6,,288.063388104,FNUPUYFWZXZMIE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Virgilia oroboides,761236.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Podalyrieae'],['Virgilia'],['Virgilia oroboides'],4,2,7.2662975788116455 138792,5911,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.5665744,ISDB,FNUPUYFWZXZMIE-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2ccc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O6,,288.063388104,FNUPUYFWZXZMIE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Acacia falciformis,867937.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia falciformis'],4,2,7.2662975788116455 138793,5911,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.5665744,ISDB,FNUPUYFWZXZMIE-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2ccc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O6,,288.063388104,FNUPUYFWZXZMIE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Baptisia lecontei,3928764.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Baptisia'],['Baptisia lecontei'],4,2,7.2662975788116455 138794,5911,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.5665744,ISDB,FNUPUYFWZXZMIE-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2ccc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O6,,288.063388104,FNUPUYFWZXZMIE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Acacia binervata,997695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia binervata'],4,2,7.2662975788116455 138795,5911,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.5665744,ISDB,FNUPUYFWZXZMIE-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2ccc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O6,,288.063388104,FNUPUYFWZXZMIE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Acacia fimbriata,452614.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia fimbriata'],4,2,7.2662975788116455 138796,5911,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.5665744,ISDB,FNUPUYFWZXZMIE-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2ccc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O6,,288.063388104,FNUPUYFWZXZMIE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Acacia irrorata,1062318.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia irrorata'],4,2,7.2662975788116455 138797,5911,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.5665744,ISDB,FNUPUYFWZXZMIE-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2ccc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O6,,288.063388104,FNUPUYFWZXZMIE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Acacia vestita,660545.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia vestita'],4,2,7.2662975788116455 138798,5911,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.5665744,ISDB,FNUPUYFWZXZMIE-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2ccc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O6,,288.063388104,FNUPUYFWZXZMIE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Acacia trachyphloia,730413.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia trachyphloia'],4,2,7.2662975788116455 138799,5911,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.5665744,ISDB,FNUPUYFWZXZMIE-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2ccc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O6,,288.063388104,FNUPUYFWZXZMIE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Acacia parramattensis,60602.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia parramattensis'],4,2,7.2662975788116455 138800,5911,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.5665744,ISDB,FNUPUYFWZXZMIE-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2ccc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O6,,288.063388104,FNUPUYFWZXZMIE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Acacia lanigera,3917633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia lanigera'],4,2,7.2662975788116455 138801,5911,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.5665744,ISDB,FNUPUYFWZXZMIE-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2ccc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O6,,288.063388104,FNUPUYFWZXZMIE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Acacia deanei,103860.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia deanei'],4,2,7.2662975788116455 138802,5911,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.5665744,ISDB,FNUPUYFWZXZMIE-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2ccc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O6,,288.063388104,FNUPUYFWZXZMIE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Acacia decora,3918328.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia decora'],4,2,7.2662975788116455 138803,5911,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.5665744,ISDB,FNUPUYFWZXZMIE-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2ccc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O6,,288.063388104,FNUPUYFWZXZMIE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Acacia cardiophylla,639796.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia cardiophylla'],4,2,7.2662975788116455 138804,5911,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.5665744,ISDB,FNUPUYFWZXZMIE-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2ccc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O6,,288.063388104,FNUPUYFWZXZMIE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Acacia buxifolia,3918242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia buxifolia'],4,2,7.2662975788116455 138805,5911,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.5665744,ISDB,FNUPUYFWZXZMIE-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2ccc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O6,,288.063388104,FNUPUYFWZXZMIE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Acacia silvestris,97456.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia silvestris'],4,2,7.2662975788116455 138806,5911,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.5665744,ISDB,FNUPUYFWZXZMIE-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2ccc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O6,,288.063388104,FNUPUYFWZXZMIE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Acacia clunies-rossiae,3918081.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia clunies-rossiae'],4,2,7.2662975788116455 138807,5911,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.5665744,ISDB,FNUPUYFWZXZMIE-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2ccc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O6,,288.063388104,FNUPUYFWZXZMIE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Acacia dealbata,274405.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia dealbata'],4,2,7.2662975788116455 138808,5911,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.5665744,ISDB,FNUPUYFWZXZMIE-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2ccc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O6,,288.063388104,FNUPUYFWZXZMIE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],4,2,7.2662975788116455 138809,5911,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.5665744,ISDB,FNUPUYFWZXZMIE-UHFFFAOYSA-N,"InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H",O=C1c2ccc(O)cc2OC(c2ccc(O)c(O)c2)C1O,C15H12O6,,288.063388104,FNUPUYFWZXZMIE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Acacia carneorum,3918002.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia carneorum'],4,2,7.2662975788116455 138810,5911,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.5665744,ISDB,FNUPUYFWZXZMIE-UHFFFAOYSA-N,"InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H",O=C1c2ccc(O)cc2OC(c2ccc(O)c(O)c2)C1O,C15H12O6,,288.063388104,FNUPUYFWZXZMIE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Acacia fasciculifera,633799.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia fasciculifera'],4,2,7.2662975788116455 138811,5911,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.5665744,ISDB,FNUPUYFWZXZMIE-UHFFFAOYSA-N,"InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H",O=C1c2ccc(O)cc2OC(c2ccc(O)c(O)c2)C1O,C15H12O6,,288.063388104,FNUPUYFWZXZMIE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Acacia saxatilis,3918435.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia saxatilis'],4,2,7.2662975788116455 138812,5911,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.5665744,ISDB,FNUPUYFWZXZMIE-UHFFFAOYSA-N,"InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H",O=C1c2ccc(O)cc2OC(c2ccc(O)c(O)c2)C1O,C15H12O6,,288.063388104,FNUPUYFWZXZMIE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Acacia crombiei,3918220.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia crombiei'],4,2,7.2662975788116455 138813,5911,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.5665744,ISDB,FNUPUYFWZXZMIE-UHFFFAOYSA-N,"InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H",O=C1c2ccc(O)cc2OC(c2ccc(O)c(O)c2)C1O,C15H12O6,,288.063388104,FNUPUYFWZXZMIE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Acacia peuce,3918125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia peuce'],4,2,7.2662975788116455 138814,5911,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.5665744,ISDB,FNUPUYFWZXZMIE-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2ccc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O6,,288.063388104,FNUPUYFWZXZMIE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Acacia leucoclada,1081334.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia leucoclada'],4,2,7.2662975788116455 138815,5911,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.5665744,ISDB,FNUPUYFWZXZMIE-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2ccc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O6,,288.063388104,FNUPUYFWZXZMIE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Acacia terminalis,485967.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia terminalis'],4,2,7.2662975788116455 138816,5911,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.5665744,ISDB,FNUPUYFWZXZMIE-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2ccc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O6,,288.063388104,FNUPUYFWZXZMIE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Acacia mollifolia,882772.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia mollifolia'],4,2,7.2662975788116455 138817,5911,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.5665744,ISDB,FNUPUYFWZXZMIE-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2ccc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O6,,288.063388104,FNUPUYFWZXZMIE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Acacia baileyana,639792.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia baileyana'],4,2,7.2662975788116455 138818,5911,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.5665744,ISDB,FNUPUYFWZXZMIE-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2ccc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O6,,288.063388104,FNUPUYFWZXZMIE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Acacia oshanesii,485960.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia oshanesii'],4,2,7.2662975788116455 138819,5911,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.5665744,ISDB,FNUPUYFWZXZMIE-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2ccc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O6,,288.063388104,FNUPUYFWZXZMIE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Acacia neriifolia,618995.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia neriifolia'],4,2,7.2662975788116455 138820,5911,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.5665744,ISDB,FNUPUYFWZXZMIE-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2ccc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O6,,288.063388104,FNUPUYFWZXZMIE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Acacia pycnantha,39866.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia pycnantha'],4,2,7.2662975788116455 138821,5911,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.5665744,ISDB,FNUPUYFWZXZMIE-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2ccc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O6,,288.063388104,FNUPUYFWZXZMIE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Acacia cultriformis,1081327.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia cultriformis'],4,2,7.2662975788116455 138822,5911,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.5665744,ISDB,FNUPUYFWZXZMIE-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2ccc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O6,,288.063388104,FNUPUYFWZXZMIE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Acacia kettlewelliae,3917832.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia kettlewelliae'],4,2,7.2662975788116455 138823,5911,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.5665744,ISDB,FNUPUYFWZXZMIE-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2ccc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O6,,288.063388104,FNUPUYFWZXZMIE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Acacia mabellae,1062323.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia mabellae'],4,2,7.2662975788116455 138824,5911,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.5665744,ISDB,FNUPUYFWZXZMIE-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2ccc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O6,,288.063388104,FNUPUYFWZXZMIE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Acacia calamifolia,867933.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia calamifolia'],4,2,7.2662975788116455 138825,5911,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.5665744,ISDB,FNUPUYFWZXZMIE-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2ccc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O6,,288.063388104,FNUPUYFWZXZMIE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Acacia constablei,1062325.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia constablei'],4,2,7.2662975788116455 138826,5911,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.5665744,ISDB,FNUPUYFWZXZMIE-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2ccc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O6,,288.063388104,FNUPUYFWZXZMIE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Acacia chrysotricha,3918470.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia chrysotricha'],4,2,7.2662975788116455 138827,5911,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.5665744,ISDB,FNUPUYFWZXZMIE-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2ccc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O6,,288.063388104,FNUPUYFWZXZMIE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Acacia adunca,33827.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia adunca'],4,2,7.2662975788116455 138828,5911,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.5665744,ISDB,FNUPUYFWZXZMIE-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2ccc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O6,,288.063388104,FNUPUYFWZXZMIE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Acacia mearnsii,343265.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia mearnsii'],4,2,7.2662975788116455 138829,5911,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.5665744,ISDB,FNUPUYFWZXZMIE-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2ccc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O6,,288.063388104,FNUPUYFWZXZMIE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Acacia filicifolia,1062329.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia filicifolia'],4,2,7.2662975788116455 138830,5911,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.5665744,ISDB,FNUPUYFWZXZMIE-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2ccc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O6,,288.063388104,FNUPUYFWZXZMIE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Acacia rubida,3918444.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia rubida'],4,2,7.2662975788116455 138780,5910,-1,,,,0.317349,ISDB,,,,,,,AMZCHEDPEAQEMC,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.2693959474563599 138753,5908,855,Shikimates and Phenylpropanoids,Tryptophan alkaloids,Flavanones,0.38338846,ISDB,AIENSZLGKYKXFJ-HFIMOBQHSA-N,"InChI=1S/C20H24N2O3/c1-3-12(11-23)13-8-18-20-15(6-7-21(18)2)16-10-14(24)4-5-17(16)22(20)19(25)9-13/h3-5,10-11,13,18-19,24-25H,6-9H2,1-2H3/b12-3+/t13-,18+,19+/m1/s1",C/C=C(\C=O)[C@@H]1C[C@H]2c3c(c4cc(O)ccc4n3[C@@H](O)C1)CCN2C,C20H24N2O3,,340.178692628,AIENSZLGKYKXFJ,Alkaloids,Tryptophan alkaloids,Corynanthe type,Strychnos decussata,282063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Loganiaceae'],['Unknown'],['Strychnos'],['Strychnos decussata'],4,2,6.533553838729858 138754,5908,855,Shikimates and Phenylpropanoids,Tryptophan alkaloids,Flavanones,0.38338846,ISDB,AIENSZLGKYKXFJ-BASWHVEKSA-N,"InChI=1S/C20H24N2O3/c1-3-12(11-23)13-8-18-20-15(6-7-21(18)2)16-10-14(24)4-5-17(16)22(20)19(25)9-13/h3-5,10-11,13,18-19,24-25H,6-9H2,1-2H3/b12-3-",C/C=C(/C=O)C1CC2c3c(c4cc(O)ccc4n3C(O)C1)CCN2C,C20H24N2O3,,340.178692628,AIENSZLGKYKXFJ,Alkaloids,Tryptophan alkaloids,Corynanthe type,Strychnos spinosa,164458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Loganiaceae'],['Unknown'],['Strychnos'],['Strychnos spinosa'],4,2,6.533553838729858 138268,5904,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.43691814,ISDB,FMIMFCRXYXVFTA-FUAOEXFOSA-N,"InChI=1S/C30H46O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-22H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H46O3,,454.344695332,FMIMFCRXYXVFTA,Terpenoids,Triterpenoids,Oleanane triterpenoids,Eriocapitella tomentosa,5737682.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Anemone'],['Anemone tomentosa'],7,3,10.24767255783081 138267,5902,-1,,,,0.0,MS1_match,XRCRWCVBMHENNE-UHFFFAOYSA-N,"InChI=1S/C14H24O7/c1-3-5-7-20-11(15)9-14(19,13(17)18)10-12(16)21-8-6-4-2/h19H,3-10H2,1-2H3,(H,17,18)",CCCCOC(=O)CC(O)(CC(=O)OCCCC)C(=O)O,C14H24O7,pos_1_1proton1ammonium,304.152203108,XRCRWCVBMHENNE,Fatty acids,Fatty esters,Wax monoesters,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],7,0,7.0 138266,5901,-1,,,,0.0,MS1_match,RTVFIUBAXAZKSU-UHFFFAOYSA-N,"InChI=1S/C22H19NO6/c1-23-8-14-20(18(25-3)7-19-22(14)29-10-28-19)13-6-15(24-2)11-4-16-17(27-9-26-16)5-12(11)21(13)23/h4-7H,8-10H2,1-3H3",COc1cc2c(c3c1-c1cc(OC)c4cc5c(cc4c1N(C)C3)OCO5)OCO2,C22H19NO6,pos_2_2proton1acetonitrile,393.121237328,RTVFIUBAXAZKSU,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Thalictrum lucidum,977702.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum lucidum'],6,0,6.0 138262,5898,74,Alkaloids,Phloroglucinols,Acyl phloroglucinols,0.24568883,ISDB,CPWFSCYLMXLCDK-SFQUDFHCSA-N,"InChI=1S/C23H26O4/c1-16(2)8-7-9-17(3)12-13-27-19-14-20(24)22(21(25)15-19)23(26)18-10-5-4-6-11-18/h4-6,8,10-12,14-15,24-25H,7,9,13H2,1-3H3/b17-12+",CC(C)=CCC/C(C)=C/COc1cc(O)c(C(=O)c2ccccc2)c(O)c1,C23H26O4,,366.183109312,CPWFSCYLMXLCDK,Polyketides,Phloroglucinols,Acyl phloroglucinols,Hypericum sampsonii,354150.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Hypericaceae'],['Hypericeae'],['Hypericum'],['Hypericum sampsonii'],4,3,6.4827553033828735 138263,5898,74,Alkaloids,Phloroglucinols,Acyl phloroglucinols,0.24568883,ISDB,CPWFSCYLMXLCDK-UHFFFAOYSA-N,"InChI=1S/C23H26O4/c1-16(2)8-7-9-17(3)12-13-27-19-14-20(24)22(21(25)15-19)23(26)18-10-5-4-6-11-18/h4-6,8,10-12,14-15,24-25H,7,9,13H2,1-3H3",CC(C)=CCCC(C)=CCOc1cc(O)c(C(=O)c2ccccc2)c(O)c1,C23H26O4,,366.183109312,CPWFSCYLMXLCDK,Polyketides,Phloroglucinols,Acyl phloroglucinols,Cratoxylum sumatranum,6101310.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Hypericaceae'],['Cratoxyleae'],['Cratoxylum'],['Cratoxylum sumatranum'],4,3,6.4827553033828735 138264,5898,74,Alkaloids,Phloroglucinols,Acyl phloroglucinols,0.24568883,ISDB,CPWFSCYLMXLCDK-SFQUDFHCSA-N,"InChI=1S/C23H26O4/c1-16(2)8-7-9-17(3)12-13-27-19-14-20(24)22(21(25)15-19)23(26)18-10-5-4-6-11-18/h4-6,8,10-12,14-15,24-25H,7,9,13H2,1-3H3/b17-12+",CC(C)=CCC/C(C)=C/COc1cc(O)c(C(=O)c2ccccc2)c(O)c1,C23H26O4,,366.183109312,CPWFSCYLMXLCDK,Polyketides,Phloroglucinols,Acyl phloroglucinols,Helichrysum litorale,641764.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Helichrysum'],['Helichrysum litorale'],4,3,6.4827553033828735 138265,5898,74,Alkaloids,Phloroglucinols,Acyl phloroglucinols,0.24568883,ISDB,CPWFSCYLMXLCDK-SFQUDFHCSA-N,"InChI=1S/C23H26O4/c1-16(2)8-7-9-17(3)12-13-27-19-14-20(24)22(21(25)15-19)23(26)18-10-5-4-6-11-18/h4-6,8,10-12,14-15,24-25H,7,9,13H2,1-3H3/b17-12+",CC(C)=CCC/C(C)=C/COc1cc(O)c(C(=O)c2ccccc2)c(O)c1,C23H26O4,,366.183109312,CPWFSCYLMXLCDK,Polyketides,Phloroglucinols,Acyl phloroglucinols,Tovomita longifolia,176665.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Clusiaceae'],['Clusieae'],['Tovomita'],['Tovomita longifolia'],4,3,6.4827553033828735 138260,5896,-1,,,,0.0,MS1_match,GESDPGMCBUDDMA-NSWVMONVSA-N,"InChI=1S/C31H36O17/c1-43-19-11-15(2-6-16(19)33)4-8-22(35)44-13-21-25(38)27(40)28(41)30(47-21)45-18-7-3-14(10-17(18)34)5-9-23(36)48-31-29(42)26(39)24(37)20(12-32)46-31/h2-11,20-21,24-34,37-42H,12-13H2,1H3/b8-4+,9-5+/t20-,21-,24-,25-,26+,27+,28-,29-,30-,31+/m1/s1",COc1cc(/C=C/C(=O)OC[C@H]2O[C@@H](Oc3ccc(/C=C/C(=O)O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3O)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O,C31H36O17,pos_1_1proton1ammonium,680.1952496920002,GESDPGMCBUDDMA,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis tashiroi,21287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tashiroi'],8,0,8.0 138257,5894,-1,,,,0.0,MS1_match,YFVGIJBUXMQFOF-PJOVQGMDSA-N,"InChI=1S/C28H32O14/c1-11-21(31)23(33)25(35)27(39-11)38-10-19-22(32)24(34)26(36)28(42-19)40-14-7-15(29)20-16(30)9-17(41-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-9,11,19,21-29,31-36H,10H2,1-2H3/t11-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1",COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1,C28H32O14,pos_2_2sodium,592.1792057039999,YFVGIJBUXMQFOF,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Thalictrum simplex,243507.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum simplex'],6,0,6.0 138258,5894,-1,,,,0.0,MS1_match,YFVGIJBUXMQFOF-PJOVQGMDSA-N,"InChI=1S/C28H32O14/c1-11-21(31)23(33)25(35)27(39-11)38-10-19-22(32)24(34)26(36)28(42-19)40-14-7-15(29)20-16(30)9-17(41-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-9,11,19,21-29,31-36H,10H2,1-2H3/t11-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1",COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1,C28H32O14,pos_2_2sodium,592.1792057039999,YFVGIJBUXMQFOF,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Thalictrum simplex,243507.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum simplex'],6,0,6.0 138259,5894,-1,,,,0.0,MS1_match,MLWDGPFGTFOLRJ-CUVHLRMHSA-N,"InChI=1S/C28H32O14/c1-11-21(32)23(34)25(36)27(38-11)42-26-24(35)22(33)19(10-29)41-28(26)39-14-7-15(30)20-16(31)9-17(40-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-9,11,19,21-30,32-36H,10H2,1-2H3/t11-,19+,21-,22+,23+,24-,25+,26+,27-,28+/m0/s1",COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)cc3o2)cc1,C28H32O14,pos_2_2sodium,592.179205704,MLWDGPFGTFOLRJ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Trollius ledebourii,841872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Adonideae'],['Trollius'],['Trollius ledebouri'],6,0,6.0 138254,5893,-1,,,,0.0,MS1_match,GHVNFZFCNZKVNT-UHFFFAOYSA-N,"InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)",CCCCCCCCCC(=O)O,C10H20O2,pos_1_1proton1dmso,172.14632988,GHVNFZFCNZKVNT,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Staphisagria macrosperma,969162.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Staphisagria'],['Staphisagria macrosperma'],6,0,6.0 138255,5893,-1,,,,0.0,MS1_match,GHVNFZFCNZKVNT-UHFFFAOYSA-N,"InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)",CCCCCCCCCC(=O)O,C10H20O2,pos_1_1proton1dmso,172.14632988,GHVNFZFCNZKVNT,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Delphinium staphisagria,969162.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Staphisagria'],['Staphisagria macrosperma'],6,0,6.0 138253,5889,225,,,,0.23242112,ISDB,WABSIBOPGQPWRD-VQHVLOKHSA-N,"InChI=1S/C14H24O6/c1-19-13(17)8-6-4-2-3-5-7-9-14(18)20-11-12(16)10-15/h7,9,12,15-16H,2-6,8,10-11H2,1H3/b9-7+",COC(=O)CCCCCC/C=C/C(=O)OCC(O)CO,C14H24O6,,288.157288488,WABSIBOPGQPWRD,,,,Cladosporium cladosporioides,187451.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Dothideomycetes'],['Capnodiales'],['Cladosporiaceae'],['Unknown'],['Cladosporium'],['Cladosporium cladosporioides'],1,0,1.9296844601631165 138252,5887,-1,,,,0.0,MS1_match,MXTRNUZJGMQISX-FCFRRXDASA-N,"InChI=1S/C25H37NO8/c1-5-26-10-13-6-7-16(30-3)24-17(13)20(34-12(2)27)25(21(24)26)23(32-11-33-25)9-15(28)14-8-22(24,29)19(23)18(14)31-4/h13-21,28-29H,5-11H2,1-4H3/t13-,14+,15-,16-,17-,18-,19-,20-,21-,22-,23+,24+,25+/m0/s1",CCN1C[C@@H]2CC[C@H](OC)[C@]34[C@@H]2[C@H](OC(C)=O)[C@@]2(OCO[C@@]25C[C@H](O)[C@H]2C[C@]3(O)[C@@H]5[C@H]2OC)[C@@H]14,C25H37NO8,pos_1_1proton1ethylamine,479.251917144,MXTRNUZJGMQISX,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium anthriscifolium,511671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium anthriscifolium'],6,0,6.0 138251,5886,-1,,,,0.0,MS1_match,VBEPBHLFGZQHJK-KNGVKNNDSA-N,"InChI=1S/C23H34O13/c1-10-15(25)17(27)19(29)22(34-10)33-9-14-16(26)18(28)20(30)23(35-14)36-21-12(31-2)7-11(5-4-6-24)8-13(21)32-3/h4-5,7-8,10,14-20,22-30H,6,9H2,1-3H3/b5-4+/t10-,14+,15-,16+,17+,18-,19+,20+,22+,23-/m0/s1",COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C23H34O13,pos_2_2sodium,518.199941148,VBEPBHLFGZQHJK,Terpenoids,,,Clematis hexapetala,226633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis hexapetala'],8,0,8.0 138192,5885,-1,,,,0.0,MS1_match,RNYZJZKPGHQTJR-UHFFFAOYSA-N,"InChI=1S/C5H4O2/c1-4-2-3-5(6)7-4/h2-3H,1H2",C=C1C=CC(=O)O1,C5H4O2,pos_2MHCH3CN,96.021129368,RNYZJZKPGHQTJR,Shikimates and Phenylpropanoids,,,Clematis vitalba,756499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis vitalba'],9,0,9.0 138184,5881,179,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,0.0,MS1_match,ACAYJUFAIJJELS-SDQBBNPISA-N,"InChI=1S/C14H15NO2/c1-9(2)4-6-12-11-7-5-10(17-3)8-13(11)15-14(12)16/h4-8H,1-3H3,(H,15,16)/b12-6-",COc1ccc2c(c1)NC(=O)/C2=C\C=C(C)C,C14H15NO2,pos_1_1proton1acetonitrile,229.11027872,ACAYJUFAIJJELS,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Actaea vaginata,512706.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea vaginata'],6,3,7.5 138180,5878,-1,,,,0.0,MS1_match,RTVFIUBAXAZKSU-UHFFFAOYSA-N,"InChI=1S/C22H19NO6/c1-23-8-14-20(18(25-3)7-19-22(14)29-10-28-19)13-6-15(24-2)11-4-16-17(27-9-26-16)5-12(11)21(13)23/h4-7H,8-10H2,1-3H3",COc1cc2c(c3c1-c1cc(OC)c4cc5c(cc4c1N(C)C3)OCO5)OCO2,C22H19NO6,pos_2_2proton1acetonitrile,393.121237328,RTVFIUBAXAZKSU,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Thalictrum lucidum,977702.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum lucidum'],6,0,6.0 138116,5874,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,AMBQHHVBBHTQBF-UOUCRYGSSA-N,"InChI=1S/C17H26O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6-,7+,9-,10+,11+,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](C)[C@@H](O)C[C@H]12,C17H26O10,pos_1_1proton1acetonitrile,390.1525970319999,AMBQHHVBBHTQBF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera periclymenum,811893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera periclymenum'],8,0,8.0 138117,5874,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,AMBQHHVBBHTQBF-UOUCRYGSSA-N,"InChI=1S/C17H26O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6-,7+,9-,10+,11+,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](C)[C@@H](O)C[C@H]12,C17H26O10,pos_1_1proton1acetonitrile,390.1525970319999,AMBQHHVBBHTQBF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera periclymenum,811893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera periclymenum'],8,0,8.0 138100,5871,-1,,,,0.51978165,ISDB,OZCJIHCANLYTSI-UHFFFAOYSA-N,"InChI=1S/C11H9NO3/c1-12-3-2-7-4-9-10(15-6-14-9)5-8(7)11(12)13/h2-5H,6H2,1H3",Cn1ccc2cc3c(cc2c1=O)OCO3,C11H9NO3,,203.058243148,OZCJIHCANLYTSI,Alkaloids,Tyrosine alkaloids,Amarylidaceae alkaloids,Cryptocarya chinensis,445161.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cryptocarya'],['Cryptocarya chinensis'],4,0,6.079126596450806 138101,5871,-1,,,,0.51978165,ISDB,OZCJIHCANLYTSI-UHFFFAOYSA-N,"InChI=1S/C11H9NO3/c1-12-3-2-7-4-9-10(15-6-14-9)5-8(7)11(12)13/h2-5H,6H2,1H3",Cn1ccc2cc3c(cc2c1=O)OCO3,C11H9NO3,,203.058243148,OZCJIHCANLYTSI,Alkaloids,Tyrosine alkaloids,Amarylidaceae alkaloids,Doryphora sassafras,162496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Atherospermataceae'],['Unknown'],['Doryphora'],['Doryphora sassafras'],4,0,6.079126596450806 138091,5870,408,Fatty acids,Tryptophan alkaloids,Quinoline alkaloids,0.21143484,ISDB,,,,,,,UWGJQFGPPHXYKV,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.8457393646240234 138090,5868,-1,,,,0.0,MS1_match,QNAYBMKLOCPYGJ-UWTATZPHSA-N,"InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1",C[C@@H](N)C(=O)O,C3H7NO2,pos_2MCH3CNNa,89.047678464,QNAYBMKLOCPYGJ,Amino acids and Peptides,Small peptides,Aminoacids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 138088,5866,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.28266263,ISDB,,,,,,,MJNYHZWCFFQCRW,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.130650520324707 138085,5864,-1,,,,0.0,MS1_match,GMYLPJSOUAYAGD-UHFFFAOYSA-N,"InChI=1S/C29H32O16/c1-10-19(33)22(36)24(38)28(41-10)42-14-7-15(32)18-16(8-14)43-26(12-3-5-13(31)6-4-12)27(21(18)35)45-29-25(39)23(37)20(34)17(44-29)9-40-11(2)30/h3-8,10,17,19-20,22-25,28-29,31-34,36-39H,9H2,1-2H3",CC(=O)OCC1OC(Oc2c(-c3ccc(O)cc3)oc3cc(OC4OC(C)C(O)C(O)C4O)cc(O)c3c2=O)C(O)C(O)C1O,C29H32O16,pos_3_3proton,636.169034944,GMYLPJSOUAYAGD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Delphinium formosum,3944990.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium formosum'],6,0,6.0 138086,5864,-1,,,,0.0,MS1_match,RVQHAYGFBOZFPZ-LSHVOLAESA-N,"InChI=1S/C29H32O16/c1-11(31)40-10-20-23(35)25(37)27(39)29(45-20)42-14-6-15(32)21-16(33)8-17(43-18(21)7-14)12-2-4-13(5-3-12)41-28-26(38)24(36)22(34)19(9-30)44-28/h2-8,19-20,22-30,32,34-39H,9-10H2,1H3/t19-,20-,22-,23-,24-,25-,26-,27-,28-,29-/m1/s1",CC(=O)OC[C@H]1O[C@@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]5O)cc4)oc3c2)[C@H](O)[C@H](O)[C@@H]1O,C29H32O16,pos_3_3proton,636.169034944,RVQHAYGFBOZFPZ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Thalictrum squarrosum,451574.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum squarrosum'],6,0,6.0 138087,5864,-1,,,,0.0,MS1_match,RVQHAYGFBOZFPZ-LSHVOLAESA-N,"InChI=1S/C29H32O16/c1-11(31)40-10-20-23(35)25(37)27(39)29(45-20)42-14-6-15(32)21-16(33)8-17(43-18(21)7-14)12-2-4-13(5-3-12)41-28-26(38)24(36)22(34)19(9-30)44-28/h2-8,19-20,22-30,32,34-39H,9-10H2,1H3/t19-,20-,22-,23-,24-,25-,26-,27-,28-,29-/m1/s1",CC(=O)OC[C@H]1O[C@@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]5O)cc4)oc3c2)[C@H](O)[C@H](O)[C@@H]1O,C29H32O16,pos_3_3proton,636.169034944,RVQHAYGFBOZFPZ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Thalictrum minus,491705.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum minus'],6,0,6.0 138084,5860,-1,,,,0.0,MS1_match,ILEDWLMCKZNDJK-UHFFFAOYSA-N,"InChI=1S/C9H6O4/c10-6-3-5-1-2-9(12)13-8(5)4-7(6)11/h1-4,10-11H",O=c1ccc2cc(O)c(O)cc2o1,C9H6O4,pos_1_1proton1acetonitrile,178.026608672,ILEDWLMCKZNDJK,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Ranunculus sieboldii,685187.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus sieboldii'],6,0,6.0 138080,5859,-1,,,,0.0,MS1_match,SWGKAHCIOQPKFW-JTNORFRNSA-N,"InChI=1S/C13H12O9/c14-7-3-1-6(5-8(7)15)2-4-9(16)22-11(13(20)21)10(17)12(18)19/h1-5,10-11,14-15,17H,(H,18,19)(H,20,21)/b4-2+/t10-,11-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H](C(=O)O)[C@@H](O)C(=O)O,C13H12O9,pos_1_1proton1ammonium,312.04813196399994,SWGKAHCIOQPKFW,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Hydrastis canadensis,1072050.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Hydrastis'],['Hydrastis canadensis'],6,0,6.0 138081,5859,-1,,,,0.0,MS1_match,SWGKAHCIOQPKFW-JTNORFRNSA-N,"InChI=1S/C13H12O9/c14-7-3-1-6(5-8(7)15)2-4-9(16)22-11(13(20)21)10(17)12(18)19/h1-5,10-11,14-15,17H,(H,18,19)(H,20,21)/b4-2+/t10-,11-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H](C(=O)O)[C@@H](O)C(=O)O,C13H12O9,pos_1_1proton1ammonium,312.04813196399994,SWGKAHCIOQPKFW,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Hydrastis canadensis,1072050.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Hydrastis'],['Hydrastis canadensis'],6,0,6.0 138082,5859,-1,,,,0.0,MS1_match,JOBWUMLSLUCCJM-OHJXWDBTSA-N,"InChI=1S/C27H34O16/c1-10-4-12(29)17-13(30)5-14-11(24(17)41-10)2-3-27(37,8-39-14)9-40-26-23(36)21(34)19(32)16(43-26)7-38-25-22(35)20(33)18(31)15(6-28)42-25/h2-5,15-16,18-23,25-26,28,30-37H,6-9H2,1H3/t15-,16-,18-,19-,20+,21+,22-,23-,25-,26-,27+/m1/s1",Cc1cc(=O)c2c(O)cc3c(c2o1)C=C[C@@](O)(CO[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)CO3,C27H34O16,pos_2_2sodium,614.184685008,JOBWUMLSLUCCJM,Polyketides,Chromanes,Chromones,Eranthis hyemalis,756503.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Eranthis'],['Eranthis hyemalis'],6,0,6.0 138083,5859,-1,,,,0.0,MS1_match,JOBWUMLSLUCCJM-OHJXWDBTSA-N,"InChI=1S/C27H34O16/c1-10-4-12(29)17-13(30)5-14-11(24(17)41-10)2-3-27(37,8-39-14)9-40-26-23(36)21(34)19(32)16(43-26)7-38-25-22(35)20(33)18(31)15(6-28)42-25/h2-5,15-16,18-23,25-26,28,30-37H,6-9H2,1H3/t15-,16-,18-,19-,20+,21+,22-,23-,25-,26-,27+/m1/s1",Cc1cc(=O)c2c(O)cc3c(c2o1)C=C[C@@](O)(CO[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)CO3,C27H34O16,pos_2_2sodium,614.184685008,JOBWUMLSLUCCJM,Polyketides,Chromanes,Chromones,Eranthis cilicica,5922989.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Eranthis'],['Eranthis cilicica'],6,0,6.0 138027,5858,-1,,,,0.0,MS1_match,QAIPRVGONGVQAS-DUXPYHPUSA-N,"InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+",O=C(O)/C=C/c1ccc(O)c(O)c1,C9H8O4,pos_1_1proton1isopropanol,180.042258736,QAIPRVGONGVQAS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis vitalba,756499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis vitalba'],9,0,9.0 138020,5857,858,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,0.57845104,ISDB,SPIWINZXMDJUPE-UHFFFAOYSA-N,"InChI=1S/C15H17NO2/c1-10(2)8-9-12-14(18-3)11-6-4-5-7-13(11)16-15(12)17/h4-8H,9H2,1-3H3,(H,16,17)",COc1c(CC=C(C)C)c(O)nc2ccccc12,C15H17NO2,,243.125928784,SPIWINZXMDJUPE,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,Zanthoxylum wutaiense,570620.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum wutaiense'],4,3,7.8138041496276855 138021,5857,858,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,0.57845104,ISDB,SPIWINZXMDJUPE-UHFFFAOYSA-N,"InChI=1S/C15H17NO2/c1-10(2)8-9-12-14(18-3)11-6-4-5-7-13(11)16-15(12)17/h4-8H,9H2,1-3H3,(H,16,17)",COc1c(CC=C(C)C)c(O)nc2ccccc12,C15H17NO2,,243.125928784,SPIWINZXMDJUPE,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,Zanthoxylum integrifoliolum,6125676.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum integrifoliolum'],4,3,7.8138041496276855 138022,5857,858,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,0.57845104,ISDB,SPIWINZXMDJUPE-UHFFFAOYSA-N,"InChI=1S/C15H17NO2/c1-10(2)8-9-12-14(18-3)11-6-4-5-7-13(11)16-15(12)17/h4-8H,9H2,1-3H3,(H,16,17)",COc1c(CC=C(C)C)c(O)nc2ccccc12,C15H17NO2,,243.125928784,SPIWINZXMDJUPE,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,Zanthoxylum zanthoxyloides,6125784.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum zanthoxyloides'],4,3,7.8138041496276855 138023,5857,858,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,0.57845104,ISDB,SPIWINZXMDJUPE-UHFFFAOYSA-N,"InChI=1S/C15H17NO2/c1-10(2)8-9-12-14(18-3)11-6-4-5-7-13(11)16-15(12)17/h4-8H,9H2,1-3H3,(H,16,17)",COc1c(CC=C(C)C)c(O)nc2ccccc12,C15H17NO2,,243.125928784,SPIWINZXMDJUPE,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,Euodia rutaecarpa,976536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Tetradium'],['Tetradium ruticarpum'],4,3,7.8138041496276855 138024,5857,858,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,0.57845104,ISDB,SPIWINZXMDJUPE-UHFFFAOYSA-N,"InChI=1S/C15H17NO2/c1-10(2)8-9-12-14(18-3)11-6-4-5-7-13(11)16-15(12)17/h4-8H,9H2,1-3H3,(H,16,17)",COc1c(CC=C(C)C)c(O)nc2ccccc12,C15H17NO2,,243.125928784,SPIWINZXMDJUPE,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,Ravenia spectabilis,5762706.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Ravenia'],['Ravenia spectabilis'],4,3,7.8138041496276855 138007,5854,219,Fatty acids,Fatty acyls,Fatty aldehydes,0.5568836,ISDB,MIZMWVRZUWPMBI-UHFFFAOYSA-N,"InChI=1S/C20H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h14-19H,2-13H2,1H3,(H2,21,22)",CCCCCCCCCCCCCC=CC=CC=CC(N)=O,C20H35NO,,305.27186474,MIZMWVRZUWPMBI,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Piper longum,97780.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper longum'],4,1,6.727534294128418 137999,5851,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,QUBNLZCADIYAFW-XAMQMYJNSA-N,"InChI=1S/C35H56O8/c1-30(2)13-15-35(29(40)41)16-14-33(5)20(21(35)17-30)7-8-24-31(3)11-10-25(43-28-27(39)26(38)22(37)18-42-28)32(4,19-36)23(31)9-12-34(24,33)6/h7,21-28,36-39H,8-19H2,1-6H3,(H,40,41)/t21-,22+,23+,24+,25-,26+,27-,28-,31-,32-,33+,34+,35-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@@H](O)[C@@H](O)[C@@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C35H56O8,pos_1_1proton1ammonium,604.397518752,QUBNLZCADIYAFW,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lonicera nigra,179065.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera nigra'],8,3,9.5 138000,5851,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,QUBNLZCADIYAFW-XAMQMYJNSA-N,"InChI=1S/C35H56O8/c1-30(2)13-15-35(29(40)41)16-14-33(5)20(21(35)17-30)7-8-24-31(3)11-10-25(43-28-27(39)26(38)22(37)18-42-28)32(4,19-36)23(31)9-12-34(24,33)6/h7,21-28,36-39H,8-19H2,1-6H3,(H,40,41)/t21-,22+,23+,24+,25-,26+,27-,28-,31-,32-,33+,34+,35-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@@H](O)[C@@H](O)[C@@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C35H56O8,pos_1_1proton1ammonium,604.397518752,QUBNLZCADIYAFW,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lonicera nigra,179065.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera nigra'],8,3,9.5 137203,5850,91,Terpenoids,Monoterpenoids,Lactones,0.35863766,ISDB,MPYYVGIJHREDBO-SLEUVZQESA-N,"InChI=1S/C15H26O2/c1-10(2)8-13(16)17-12-9-11-6-7-15(12,5)14(11,3)4/h10-12H,6-9H2,1-5H3/t11-,12-,15+/m0/s1",CC(C)CC(=O)O[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C,C15H26O2,,238.193280072,MPYYVGIJHREDBO,Terpenoids,Monoterpenoids,Camphane monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,2,8.434550642967224 136483,5849,-1,,,,0.33725712,ISDB,SXCVPGXYCJAUPB-YLAKUSLOSA-N,"InChI=1S/C20H32O3/c1-13(2)15-7-8-20(6)11-16(9-14(3)17(20)10-15)23-18(21)12-19(4,5)22/h15-17,22H,1,3,7-12H2,2,4-6H3/t15-,16+,17+,20+/m1/s1",C=C(C)[C@@H]1CC[C@@]2(C)C[C@@H](OC(=O)CC(C)(C)O)CC(=C)[C@@H]2C1,C20H32O3,,320.235144884,SXCVPGXYCJAUPB,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Nardostachys jatamansi,24101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Nardostachys'],['Nardostachys jatamansi'],6,0,7.349028468132019 136479,5848,520,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,DARGUPSDBIBHDD-SNVBAGLBSA-N,"InChI=1S/C12H16O3/c1-5-10(13-2)9-6-7-11(14-3)12(8-9)15-4/h5-8,10H,1H2,2-4H3/t10-/m1/s1",C=C[C@@H](OC)c1ccc(OC)c(OC)c1,C12H16O3,pos_1_1proton1methanol,208.109944372,DARGUPSDBIBHDD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Morina chinensis,68249.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Morina'],['Morina chinensis'],6,3,7.5 136429,5847,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.5252538,ISDB,VVUDCWPSEIDKOG-IILZIWPVSA-N,"InChI=1S/C29H44O2/c1-18-17-22-27(5,24(31)23(18)30)14-16-28(6)21-11-12-25(3)19(2)9-8-10-20(25)26(21,4)13-15-29(22,28)7/h8-9,18,20-22,24,31H,2,10-17H2,1,3-7H3/t18-,20-,21-,22+,24-,25-,26+,27-,28-,29-/m1/s1",C=C1C=CC[C@H]2[C@]3(C)CC[C@]4(C)[C@H]5C[C@@H](C)C(=O)[C@@H](O)[C@]5(C)CC[C@]4(C)[C@@H]3CC[C@]12C,C29H44O2,,424.334130648,VVUDCWPSEIDKOG,Terpenoids,Triterpenoids,Friedelane triterpenoids,Acanthothamnus aphyllus,739323.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Acanthothamnus'],['Acanthothamnus aphyllus'],4,2,7.101015090942383 136387,5846,-1,,,,0.37537193,ISDB,AMBRJIMESGEXMH-HFQCNWJOSA-N,"InChI=1S/C18H26O4/c1-16(10-15(21)22)13-5-4-11-12(19)6-8-17(11,2)18(13,3)9-7-14(16)20/h11,13H,4-10H2,1-3H3,(H,21,22)/t11-,13+,16+,17+,18+/m0/s1",C[C@]1(CC(=O)O)C(=O)CC[C@]2(C)[C@@H]1CC[C@H]1C(=O)CC[C@]12C,C18H26O4,,306.183109312,AMBRJIMESGEXMH,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Barbacenia flava,575233.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Pandanales'],['Velloziaceae'],['Unknown'],['Barbacenia'],['Barbacenia flava'],4,0,5.501487731933594 136361,5845,119,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,ZQPPMHVWECSIRJ-KTKRTIGZSA-N,"InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-",CCCCCCCC/C=C\CCCCCCCC(=O)O,C18H34O2,pos_1_1proton1ammonium,282.255880328,ZQPPMHVWECSIRJ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Celastrus paniculatus,561287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Celastrus'],['Celastrus paniculatus'],6,3,7.5 136342,5840,-1,,,,0.55450886,ISDB,DDCXFQXXQUYLQV-LFDWGOBLSA-N,"InChI=1S/C30H44O2/c1-18(2)9-7-10-19(3)23-14-22-16-30(25(23)13-21(22)5)26-15-24-20(4)11-8-12-29(24,6)17-27(26)32-28(30)31/h9,13,19,22-27H,4,7-8,10-12,14-17H2,1-3,5-6H3/t19-,22+,23-,24+,25-,26-,27+,29+,30-/m0/s1",C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@]4(C[C@H]5C[C@@H]([C@@H](C)CCC=C(C)C)[C@@H]4C=C5C)[C@H]3C[C@H]12,C30H44O2,,436.334130648,DDCXFQXXQUYLQV,Terpenoids,,,Helenium autumnale,483908.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Helenieae'],['Helenium'],['Helenium autumnale'],4,0,6.218035459518433 136329,5838,1364,Terpenoids,Sesquiterpenoids,Simple coumarins,0.0,MS1_match,ZHVQMCUOORXZKC-UHFFFAOYSA-N,"InChI=1S/C12H10O6/c1-16-11-9(14)7(12(15)17-2)5-6-3-4-8(13)18-10(6)11/h3-5,14H,1-2H3",COC(=O)c1cc2ccc(=O)oc2c(OC)c1O,C12H10O6,pos_1_1proton1ammonium,250.04773804,ZHVQMCUOORXZKC,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Delphinium stenocarpum,784182.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitella'],['Aconitella stenocarpa'],6,3,7.5 136268,5836,-1,,,,0.31401527,ISDB,,,,,,,DFWYTIGCGLIPGG,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.25606107711792 136265,5834,-1,,,,0.20111132,ISDB,MLKFESWUFLKYRE-UHFFFAOYSA-N,"InChI=1S/C13H17NO5/c1-19-13(18)10-6-14(4-5-15)12(17)11-8(7-16)2-3-9(10)11/h2,6,9,11,15-16H,3-5,7H2,1H3",COC(=O)C1=CN(CCO)C(=O)C2C(CO)=CCC12,C13H17NO5,,267.110672644,MLKFESWUFLKYRE,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Gardenia jasminoides,919367.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Gardenieae'],['Gardenia'],['Gardenia jasminoides'],4,0,4.804445266723633 132223,5833,228,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.6238485,ISDB,GLZPCOQZEFWAFX-JXMROGBWSA-N,"InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7+",CC(C)=CCC/C(C)=C/CO,C10H18O,,154.135765196,GLZPCOQZEFWAFX,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,10.995393991470337 132222,5832,25,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.20160392,ISDB,,,,,,,GOUWYJRGOSCUHQ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.8064156770706177 132216,5830,1509,Fatty acids,Octadecanoids,Jasmonic acids,0.0,MS1_match,GEWDNTWNSAZUDX-WQMVXFAESA-N,"InChI=1S/C13H20O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h4-5,10-11H,3,6-9H2,1-2H3/b5-4-/t10-,11-/m1/s1",CC/C=C\C[C@H]1C(=O)CC[C@@H]1CC(=O)OC,C13H20O3,pos_1_1proton1acetonitrile,224.1412445,GEWDNTWNSAZUDX,Fatty acids,Octadecanoids,Jasmonic acids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 132214,5829,-1,,,,0.0,MS1_match,WGTYXIDAEFJHPD-DJSGBOIRSA-N,"InChI=1S/C25H32O11/c1-33-17-9-13(4-5-16(17)29)23-15(10-27)14-7-12(3-2-6-26)8-18(24(14)36-23)34-25-22(32)21(31)20(30)19(11-28)35-25/h4-5,7-9,15,19-23,25-32H,2-3,6,10-11H2,1H3/t15-,19+,20+,21-,22+,23+,25+/m0/s1",COc1cc([C@H]2Oc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(CCCO)cc3[C@@H]2CO)ccc1O,C25H32O11,pos_1_sodium,508.1944618439998,WGTYXIDAEFJHPD,Shikimates and Phenylpropanoids,Lignans,Neolignans,Clematis stans,21283.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis stans'],8,0,8.0 132215,5829,-1,,,,0.0,MS1_match,WGTYXIDAEFJHPD-DJSGBOIRSA-N,"InChI=1S/C25H32O11/c1-33-17-9-13(4-5-16(17)29)23-15(10-27)14-7-12(3-2-6-26)8-18(24(14)36-23)34-25-22(32)21(31)20(30)19(11-28)35-25/h4-5,7-9,15,19-23,25-32H,2-3,6,10-11H2,1H3/t15-,19+,20+,21-,22+,23+,25+/m0/s1",COc1cc([C@H]2Oc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(CCCO)cc3[C@@H]2CO)ccc1O,C25H32O11,pos_1_sodium,508.1944618439998,WGTYXIDAEFJHPD,Shikimates and Phenylpropanoids,Lignans,Neolignans,Clematis stans,21283.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis stans'],8,0,8.0 132197,5828,398,Terpenoids,Steroids,Spirostane steroids,0.42012137,ISDB,QDJYUSAVAQTFPO-LCYMEKLSSA-N,"InChI=1S/C33H56O9/c1-16(2)6-9-23(36)17(3)27-24(41-31-30(40)29(39)28(38)25(15-34)42-31)14-22-20-8-7-18-12-19(35)13-26(37)33(18,5)21(20)10-11-32(22,27)4/h7,16-17,19-31,34-40H,6,8-15H2,1-5H3/t17-,19?,20-,21+,22+,23?,24?,25-,26?,27+,28+,29+,30-,31-,32+,33+/m1/s1",CC(C)CCC(O)[C@@H](C)[C@H]1C(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C[C@H]2[C@@H]3CC=C4CC(O)CC(O)[C@]4(C)[C@H]3CC[C@]12C,C33H56O9,,596.392433372,QDJYUSAVAQTFPO,Terpenoids,Steroids,Cholestane steroids,Allium stipitatum,942173.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Allieae'],['Allium'],['Allium stipitatum'],4,2,6.680485486984253 132198,5828,398,Terpenoids,Steroids,Spirostane steroids,0.42012137,ISDB,QDJYUSAVAQTFPO-LCYMEKLSSA-N,"InChI=1S/C33H56O9/c1-16(2)6-9-23(36)17(3)27-24(41-31-30(40)29(39)28(38)25(15-34)42-31)14-22-20-8-7-18-12-19(35)13-26(37)33(18,5)21(20)10-11-32(22,27)4/h7,16-17,19-31,34-40H,6,8-15H2,1-5H3/t17-,19?,20-,21+,22+,23?,24?,25-,26?,27+,28+,29+,30-,31-,32+,33+/m1/s1",CC(C)CCC(O)[C@@H](C)[C@H]1C(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C[C@H]2[C@@H]3CC=C4CC(O)CC(O)[C@]4(C)[C@H]3CC[C@]12C,C33H56O9,,596.392433372,QDJYUSAVAQTFPO,Terpenoids,Steroids,Cholestane steroids,Allium suworowii,989424.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Allieae'],['Allium'],['Allium suworowii'],4,2,6.680485486984253 132184,5827,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,ABRULANJVVJLFI-DGHBBABESA-N,"InChI=1S/C22H22O10/c1-30-13-7-14-16(11(25)6-12(31-14)9-2-4-10(24)5-3-9)19(27)17(13)22-21(29)20(28)18(26)15(8-23)32-22/h2-7,15,18,20-24,26-29H,8H2,1H3/t15-,18-,20+,21-,22+/m1/s1",COc1cc2oc(-c3ccc(O)cc3)cc(=O)c2c(O)c1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C22H22O10,pos_1_1proton1ammonium,446.1212969039999,ABRULANJVVJLFI,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Aquilegia oxysepala,949638.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Aquilegia'],['Aquilegia oxysepala'],6,0,6.0 132185,5827,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,ABRULANJVVJLFI-DGHBBABESA-N,"InChI=1S/C22H22O10/c1-30-13-7-14-16(11(25)6-12(31-14)9-2-4-10(24)5-3-9)19(27)17(13)22-21(29)20(28)18(26)15(8-23)32-22/h2-7,15,18,20-24,26-29H,8H2,1H3/t15-,18-,20+,21-,22+/m1/s1",COc1cc2oc(-c3ccc(O)cc3)cc(=O)c2c(O)c1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C22H22O10,pos_1_1proton1ammonium,446.1212969039999,ABRULANJVVJLFI,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Aquilegia oxysepala,949638.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Aquilegia'],['Aquilegia oxysepala'],6,0,6.0 132186,5827,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,HHPLIFSIFJSIBY-UHJXJGFFSA-N,"InChI=1S/C22H22O10/c1-30-14-7-12(26)16-11(25)6-13(9-2-4-10(24)5-3-9)31-21(16)17(14)22-20(29)19(28)18(27)15(8-23)32-22/h2-7,15,18-20,22-24,26-29H,8H2,1H3/t15?,18-,19-,20?,22-/m0/s1",COc1cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1[C@@H]1OC(CO)[C@H](O)[C@H](O)C1O,C22H22O10,pos_1_1proton1ammonium,446.121296904,HHPLIFSIFJSIBY,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Trollius chinensis,877307.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Adonideae'],['Trollius'],['Trollius chinensis'],6,0,6.0 132187,5827,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,HHPLIFSIFJSIBY-PGPONNFDSA-N,"InChI=1S/C22H22O10/c1-30-14-7-12(26)16-11(25)6-13(9-2-4-10(24)5-3-9)31-21(16)17(14)22-20(29)19(28)18(27)15(8-23)32-22/h2-7,15,18-20,22-24,26-29H,8H2,1H3/t15-,18-,19+,20-,22+/m1/s1",COc1cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C22H22O10,pos_1_1proton1ammonium,446.1212969039999,HHPLIFSIFJSIBY,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Trollius ledebourii,841872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Adonideae'],['Trollius'],['Trollius ledebouri'],6,0,6.0 132188,5827,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,HHPLIFSIFJSIBY-RZDNYABWSA-N,"InChI=1S/C22H22O10/c1-30-14-7-12(26)16-11(25)6-13(9-2-4-10(24)5-3-9)31-21(16)17(14)22-20(29)19(28)18(27)15(8-23)32-22/h2-7,15,18-20,22-24,26-29H,8H2,1H3/t15-,18+,19-,20+,22-/m0/s1",COc1cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C22H22O10,pos_1_1proton1ammonium,446.121296904,HHPLIFSIFJSIBY,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Trollius ledebouri,841872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Adonideae'],['Trollius'],['Trollius ledebouri'],6,0,6.0 132189,5827,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,HHPLIFSIFJSIBY-UHJXJGFFSA-N,"InChI=1S/C22H22O10/c1-30-14-7-12(26)16-11(25)6-13(9-2-4-10(24)5-3-9)31-21(16)17(14)22-20(29)19(28)18(27)15(8-23)32-22/h2-7,15,18-20,22-24,26-29H,8H2,1H3/t15?,18-,19-,20?,22-/m0/s1",COc1cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1[C@@H]1OC(CO)[C@H](O)[C@H](O)C1O,C22H22O10,pos_1_1proton1ammonium,446.121296904,HHPLIFSIFJSIBY,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Trollius chinensis,877307.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Adonideae'],['Trollius'],['Trollius chinensis'],6,0,6.0 132190,5827,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,HHPLIFSIFJSIBY-PGPONNFDSA-N,"InChI=1S/C22H22O10/c1-30-14-7-12(26)16-11(25)6-13(9-2-4-10(24)5-3-9)31-21(16)17(14)22-20(29)19(28)18(27)15(8-23)32-22/h2-7,15,18-20,22-24,26-29H,8H2,1H3/t15-,18-,19+,20-,22+/m1/s1",COc1cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C22H22O10,pos_1_1proton1ammonium,446.1212969039999,HHPLIFSIFJSIBY,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Trollius ledebourii,841872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Adonideae'],['Trollius'],['Trollius ledebouri'],6,0,6.0 132191,5827,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,HHPLIFSIFJSIBY-RZDNYABWSA-N,"InChI=1S/C22H22O10/c1-30-14-7-12(26)16-11(25)6-13(9-2-4-10(24)5-3-9)31-21(16)17(14)22-20(29)19(28)18(27)15(8-23)32-22/h2-7,15,18-20,22-24,26-29H,8H2,1H3/t15-,18+,19-,20+,22-/m0/s1",COc1cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C22H22O10,pos_1_1proton1ammonium,446.121296904,HHPLIFSIFJSIBY,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Trollius ledebouri,841872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Adonideae'],['Trollius'],['Trollius ledebouri'],6,0,6.0 132192,5827,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,SQGQTKZMNQBRTK-GWJBRELFSA-N,"InChI=1S/C22H22O10/c1-30-16-9-5-13(11-17(16)31-2)6-10-18(24)32-19(20(25)26)22(29,21(27)28)12-14-3-7-15(23)8-4-14/h3-11,19,23,29H,12H2,1-2H3,(H,25,26)(H,27,28)/b10-6+/t19-,22-/m1/s1",COc1ccc(/C=C/C(=O)O[C@H](C(=O)O)[C@](O)(Cc2ccc(O)cc2)C(=O)O)cc1OC,C22H22O10,pos_1_1proton1ammonium,446.1212969039999,SQGQTKZMNQBRTK,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Actaea heracleifolia,988745.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea heracleifolia'],6,0,6.0 132193,5827,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,SQGQTKZMNQBRTK-GWJBRELFSA-N,"InChI=1S/C22H22O10/c1-30-16-9-5-13(11-17(16)31-2)6-10-18(24)32-19(20(25)26)22(29,21(27)28)12-14-3-7-15(23)8-4-14/h3-11,19,23,29H,12H2,1-2H3,(H,25,26)(H,27,28)/b10-6+/t19-,22-/m1/s1",COc1ccc(/C=C/C(=O)O[C@H](C(=O)O)[C@](O)(Cc2ccc(O)cc2)C(=O)O)cc1OC,C22H22O10,pos_1_1proton1ammonium,446.1212969039999,SQGQTKZMNQBRTK,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Actaea dahurica,462227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea dahurica'],6,0,6.0 132194,5827,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,SQGQTKZMNQBRTK-GWJBRELFSA-N,"InChI=1S/C22H22O10/c1-30-16-9-5-13(11-17(16)31-2)6-10-18(24)32-19(20(25)26)22(29,21(27)28)12-14-3-7-15(23)8-4-14/h3-11,19,23,29H,12H2,1-2H3,(H,25,26)(H,27,28)/b10-6+/t19-,22-/m1/s1",COc1ccc(/C=C/C(=O)O[C@H](C(=O)O)[C@](O)(Cc2ccc(O)cc2)C(=O)O)cc1OC,C22H22O10,pos_1_1proton1ammonium,446.1212969039999,SQGQTKZMNQBRTK,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Actaea japonica,988749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea japonica'],6,0,6.0 132195,5827,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,SQGQTKZMNQBRTK-GWJBRELFSA-N,"InChI=1S/C22H22O10/c1-30-16-9-5-13(11-17(16)31-2)6-10-18(24)32-19(20(25)26)22(29,21(27)28)12-14-3-7-15(23)8-4-14/h3-11,19,23,29H,12H2,1-2H3,(H,25,26)(H,27,28)/b10-6+/t19-,22-/m1/s1",COc1ccc(/C=C/C(=O)O[C@H](C(=O)O)[C@](O)(Cc2ccc(O)cc2)C(=O)O)cc1OC,C22H22O10,pos_1_1proton1ammonium,446.1212969039999,SQGQTKZMNQBRTK,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Actaea simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],6,0,6.0 132196,5827,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,SQGQTKZMNQBRTK-GWJBRELFSA-N,"InChI=1S/C22H22O10/c1-30-16-9-5-13(11-17(16)31-2)6-10-18(24)32-19(20(25)26)22(29,21(27)28)12-14-3-7-15(23)8-4-14/h3-11,19,23,29H,12H2,1-2H3,(H,25,26)(H,27,28)/b10-6+/t19-,22-/m1/s1",COc1ccc(/C=C/C(=O)O[C@H](C(=O)O)[C@](O)(Cc2ccc(O)cc2)C(=O)O)cc1OC,C22H22O10,pos_1_1proton1ammonium,446.1212969039999,SQGQTKZMNQBRTK,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cimicifuga simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],6,0,6.0 132174,5826,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.28734055,ISDB,JSXCGBWUPLORSN-UHFFFAOYSA-N,"InChI=1S/C35H54O7/c1-19-25-20-8-9-23-31(4)12-11-24(41-28-27(38)26(37)21(36)18-40-28)30(2,3)22(31)10-13-33(23,6)32(20,5)14-16-35(25)17-15-34(19,7)42-29(35)39/h8,19,21-28,36-38H,9-18H2,1-7H3",CC1C2C3=CCC4C5(C)CCC(OC6OCC(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)CCC23CCC1(C)OC3=O,C35H54O7,,586.3869540679999,JSXCGBWUPLORSN,Terpenoids,Triterpenoids,Oleanane triterpenoids,Rosa laevigata,383273.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa laevigata'],4,3,6.649362206459045 132156,5825,-1,,,,0.0,MS1_match,GXWUEMSASMVWKO-IRJHRTJJSA-N,"InChI=1S/C41H66O12/c1-36(2)14-16-41(35(48)49)17-15-39(6)21(22(41)18-36)8-9-26-38(5)12-11-27(37(3,4)25(38)10-13-40(26,39)7)52-34-32(28(44)23(43)20-50-34)53-33-31(47)30(46)29(45)24(19-42)51-33/h8,22-34,42-47H,9-20H2,1-7H3,(H,48,49)/t22-,23+,24+,25-,26+,27-,28+,29+,30-,31+,32-,33-,34-,38-,39+,40+,41-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@@H](O)[C@@H](O)[C@@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C41H66O12,pos_1_sodium,750.455427552,GXWUEMSASMVWKO,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lonicera nigra,179065.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera nigra'],8,0,8.0 132157,5825,-1,,,,0.0,MS1_match,GXWUEMSASMVWKO-IRJHRTJJSA-N,"InChI=1S/C41H66O12/c1-36(2)14-16-41(35(48)49)17-15-39(6)21(22(41)18-36)8-9-26-38(5)12-11-27(37(3,4)25(38)10-13-40(26,39)7)52-34-32(28(44)23(43)20-50-34)53-33-31(47)30(46)29(45)24(19-42)51-33/h8,22-34,42-47H,9-20H2,1-7H3,(H,48,49)/t22-,23+,24+,25-,26+,27-,28+,29+,30-,31+,32-,33-,34-,38-,39+,40+,41-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@@H](O)[C@@H](O)[C@@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C41H66O12,pos_1_sodium,750.455427552,GXWUEMSASMVWKO,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lonicera nigra,179065.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera nigra'],8,0,8.0 132158,5825,-1,,,,0.0,MS1_match,GXWUEMSASMVWKO-IRJHRTJJSA-N,"InChI=1S/C41H66O12/c1-36(2)14-16-41(35(48)49)17-15-39(6)21(22(41)18-36)8-9-26-38(5)12-11-27(37(3,4)25(38)10-13-40(26,39)7)52-34-32(28(44)23(43)20-50-34)53-33-31(47)30(46)29(45)24(19-42)51-33/h8,22-34,42-47H,9-20H2,1-7H3,(H,48,49)/t22-,23+,24+,25-,26+,27-,28+,29+,30-,31+,32-,33-,34-,38-,39+,40+,41-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@@H](O)[C@@H](O)[C@@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C41H66O12,pos_1_sodium,750.455427552,GXWUEMSASMVWKO,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lonicera nigra,179065.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera nigra'],8,0,8.0 132135,5824,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.0,MS1_match,YVVFVJVAHWNXNY-UHFFFAOYSA-N,"InChI=1S/C34H47NO8/c1-7-35-17-32(18-38-3)14-13-24(40-5)34-22-15-21-23(39-4)16-33(43-19(2)36,26(30(34)35)28(41-6)29(32)34)25(22)27(21)42-31(37)20-11-9-8-10-12-20/h8-12,21-30H,7,13-18H2,1-6H3",CCN1CC2(COC)CCC(OC)C34C5CC6C(OC)CC(OC(C)=O)(C5C6OC(=O)c5ccccc5)C(C(OC)C23)C14,C34H47NO8,pos_2_2proton1ammonium,597.3301674639998,YVVFVJVAHWNXNY,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum,756111.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Unknown'],6,3,7.5 132136,5824,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.0,MS1_match,CEWHOLPVDULJCE-LUJDFAQCSA-N,"InChI=1S/C34H47NO8/c1-7-35-17-32(18-38-3)14-13-24(40-5)34-22-15-21-23(39-4)16-33(25(22)27(21)42-19(2)36,26(30(34)35)28(41-6)29(32)34)43-31(37)20-11-9-8-10-12-20/h8-12,21-30H,7,13-18H2,1-6H3/t21-,22-,23+,24+,25-,26+,27+,28+,29-,30-,32+,33-,34+/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC(C)=O)[C@@H]5[C@](OC(=O)c5ccccc5)(C[C@@H]6OC)[C@@H]([C@H](OC)[C@H]23)[C@@H]14,C34H47NO8,pos_2_2proton1ammonium,597.330167464,CEWHOLPVDULJCE,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum japonicum,5511352.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum japonicum'],6,3,7.5 132137,5824,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.0,MS1_match,CEWHOLPVDULJCE-HPFWJHJXSA-N,"InChI=1S/C34H47NO8/c1-7-35-17-32(18-38-3)14-13-24(40-5)34-22-15-21-23(39-4)16-33(25(22)27(21)42-19(2)36,26(30(34)35)28(41-6)29(32)34)43-31(37)20-11-9-8-10-12-20/h8-12,21-30H,7,13-18H2,1-6H3/t21-,22-,23+,24+,25-,26+,27+,28+,29-,30?,32+,33-,34+/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@]34C1[C@H]([C@H](OC)[C@H]23)[C@@]1(OC(=O)c2ccccc2)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2OC(C)=O,C34H47NO8,pos_2_2proton1ammonium,597.330167464,CEWHOLPVDULJCE,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum variegatum,586783.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum variegatum'],6,3,7.5 132138,5824,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.0,MS1_match,WNJQRAJXNHTDHD-GSWXQDNXSA-N,"InChI=1S/C34H47NO8/c1-8-35-18-31(3)15-14-24(39-5)33-22-16-21-23(38-4)17-32(40-6,25(22)26(21)43-29(37)20-12-10-9-11-13-20)34(41-7,30(33)35)28(27(31)33)42-19(2)36/h9-13,21-28,30H,8,14-18H2,1-7H3/t21-,22-,23+,24+,25-,26+,27-,28-,30+,31+,32-,33+,34-/m1/s1",CCN1C[C@]2(C)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC(=O)c7ccccc7)[C@@H]5[C@](OC)(C[C@@H]6OC)[C@@](OC)([C@H](OC(C)=O)[C@H]23)[C@@H]14,C34H47NO8,pos_2_2proton1ammonium,597.330167464,WNJQRAJXNHTDHD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium peregrinum,885398.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium peregrinum'],6,3,7.5 132139,5824,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.0,MS1_match,PEZDGSUPQGGPDV-JVPSRKDZSA-N,"InChI=1S/C34H47NO8/c1-6-35-17-32(18-39-2)23(36)15-24(41-4)34-21-14-20-22(40-3)16-33(38,27(31(34)35)29(42-5)30(32)34)26(21)28(20)43-25(37)13-12-19-10-8-7-9-11-19/h7-13,20-24,26-31,36,38H,6,14-18H2,1-5H3/b13-12+/t20-,21-,22+,23-,24+,26-,27+,28+,29+,30-,31-,32+,33-,34+/m1/s1",CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC(=O)/C=C/c7ccccc7)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H]([C@H](OC)[C@H]23)[C@@H]14,C34H47NO8,pos_2_2proton1ammonium,597.3301674639998,PEZDGSUPQGGPDV,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum hemsleyanum,511674.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum hemsleyanum'],6,3,7.5 132140,5824,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.0,MS1_match,OLGZCXJLBHNVSV-DDQVRILVSA-N,"InChI=1S/C32H47NO8/c1-7-33-15-29(16-37-2)20(34)13-21(39-4)32-18-14-30(35)11-12-31(36,24(28(32)33)26(41-6)27(29)32)23(18)22(30)17-9-8-10-19(38-3)25(17)40-5/h8-10,18,20-24,26-28,34-36H,7,11-16H2,1-6H3/t18-,20-,21+,22-,23-,24+,26+,27-,28-,29+,30-,31-,32+/m1/s1",CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@@]34[C@@H]5C[C@]6(O)CC[C@@](O)([C@H]5[C@H]6c5cccc(OC)c5OC)[C@@H]([C@H](OC)[C@H]23)[C@@H]14,C32H47NO8,pos_2_2proton1acetonitrile,573.3301674639998,OLGZCXJLBHNVSV,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum falconeri,6131385.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum falconeri'],6,3,7.5 132141,5824,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.0,MS1_match,OLGZCXJLBHNVSV-DDQVRILVSA-N,"InChI=1S/C32H47NO8/c1-7-33-15-29(16-37-2)20(34)13-21(39-4)32-18-14-30(35)11-12-31(36,24(28(32)33)26(41-6)27(29)32)23(18)22(30)17-9-8-10-19(38-3)25(17)40-5/h8-10,18,20-24,26-28,34-36H,7,11-16H2,1-6H3/t18-,20-,21+,22-,23-,24+,26+,27-,28-,29+,30-,31-,32+/m1/s1",CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@@]34[C@@H]5C[C@]6(O)CC[C@@](O)([C@H]5[C@H]6c5cccc(OC)c5OC)[C@@H]([C@H](OC)[C@H]23)[C@@H]14,C32H47NO8,pos_2_2proton1acetonitrile,573.3301674639998,OLGZCXJLBHNVSV,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum lethale,6131432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum lethale'],6,3,7.5 132120,5823,-1,,,,0.0,MS1_match,TYWXNGXVSZRXNA-NVZSGMJQSA-N,"InChI=1S/C11H16O8/c12-3-6-8(14)9(15)10(16)11(19-6)17-4-5-1-2-7(13)18-5/h1-2,5-6,8-12,14-16H,3-4H2/t5-,6+,8+,9-,10+,11+/m0/s1",O=C1C=C[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O1,C11H16O8,pos_1_1proton1methanol,276.084517472,TYWXNGXVSZRXNA,,,,Clematis ligusticifolia,964063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis ligusticifolia'],8,0,8.0 132118,5821,104,Amino acids and Peptides,Small peptides,Dipeptides,0.55340064,ISDB,IQHUITKNHOKGFC-MIMYLULJSA-N,"InChI=1S/C13H18N2O4/c1-8(16)11(14)12(17)15-10(13(18)19)7-9-5-3-2-4-6-9/h2-6,8,10-11,16H,7,14H2,1H3,(H,15,17)(H,18,19)/t8-,10+,11+/m1/s1",C[C@@H](O)[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O,C13H18N2O4,,266.126657056,IQHUITKNHOKGFC,Amino acids and Peptides,Small peptides,Dipeptides,Saccharomyces cerevisiae,356221.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Unknown'],['Saccharomycetales'],['Saccharomycetaceae'],['Unknown'],['Saccharomyces'],['Saccharomyces cerevisiae'],1,3,4.713602542877197 132111,5819,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,NXJMINIPVKJRHD-CXGIBTINSA-N,"InChI=1S/C47H76O17/c1-22-30(51)33(54)35(56)38(60-22)63-37-31(52)25(50)20-59-40(37)62-29-11-12-43(4)27(44(29,5)21-49)10-13-46(7)28(43)9-8-23-24-18-42(2,3)14-16-47(24,17-15-45(23,46)6)41(58)64-39-36(57)34(55)32(53)26(19-48)61-39/h8,22,24-40,48-57H,9-21H2,1-7H3/t22-,24-,25-,26+,27+,28+,29-,30-,31-,32+,33+,34-,35+,36+,37+,38-,39-,40-,43-,44-,45+,46+,47-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)CC[C@]6(C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]45C)[C@]3(C)CO)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C47H76O17,pos_1_1proton1ammonium,912.5082509720004,NXJMINIPVKJRHD,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 132112,5819,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,NXJMINIPVKJRHD-CXGIBTINSA-N,"InChI=1S/C47H76O17/c1-22-30(51)33(54)35(56)38(60-22)63-37-31(52)25(50)20-59-40(37)62-29-11-12-43(4)27(44(29,5)21-49)10-13-46(7)28(43)9-8-23-24-18-42(2,3)14-16-47(24,17-15-45(23,46)6)41(58)64-39-36(57)34(55)32(53)26(19-48)61-39/h8,22,24-40,48-57H,9-21H2,1-7H3/t22-,24-,25-,26+,27+,28+,29-,30-,31-,32+,33+,34-,35+,36+,37+,38-,39-,40-,43-,44-,45+,46+,47-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)CC[C@]6(C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]45C)[C@]3(C)CO)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C47H76O17,pos_1_1proton1ammonium,912.5082509720004,NXJMINIPVKJRHD,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 132113,5819,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,NFIQKUQYFSTGFU-VWZQPUASSA-N,"InChI=1S/C47H76O17/c1-42(2)14-16-47(41(58)64-40-37(57)34(54)32(52)26(62-40)21-60-38-36(56)33(53)31(51)25(19-48)61-38)17-15-45(6)22(23(47)18-42)8-9-28-44(5)12-11-29(43(3,4)27(44)10-13-46(28,45)7)63-39-35(55)30(50)24(49)20-59-39/h8,23-40,48-57H,9-21H2,1-7H3/t23-,24-,25+,26+,27-,28+,29-,30-,31+,32+,33-,34-,35+,36+,37+,38+,39-,40-,44-,45+,46+,47-/m0/s1",CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C47H76O17,pos_1_1proton1ammonium,912.5082509720002,NFIQKUQYFSTGFU,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 132109,5818,-1,,,,0.0,MS1_match,ZVQYCHMNZFFTTA-LZHBMSMKSA-N,"InChI=1S/C54H90O21/c1-23(19-55)9-10-28(57)24(2)27-13-15-52(8)32-12-11-31-50(5,6)33(14-16-53(31)22-54(32,53)18-17-51(27,52)7)73-47-43(67)40(64)44(26(4)70-47)74-49-45(75-48-42(66)37(61)34(58)25(3)69-48)39(63)36(60)30(72-49)21-68-46-41(65)38(62)35(59)29(20-56)71-46/h9,24-49,55-67H,10-22H2,1-8H3/b23-9-/t24-,25-,26+,27+,28?,29+,30+,31-,32-,33-,34-,35+,36+,37+,38-,39-,40+,41+,42+,43+,44-,45+,46+,47-,48-,49-,51+,52-,53+,54-/m0/s1",C/C(=C/CC(O)[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@@H]5O[C@H](C)[C@H](O[C@@H]6O[C@H](CO[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@H](O)[C@H]5O)CC[C@@]45C[C@@]35CC[C@]12C)CO,C54H90O21,pos_3_3sodium,1074.5974599,ZVQYCHMNZFFTTA,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Thalictrum squarrosum,451574.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum squarrosum'],6,0,6.0 132110,5818,-1,,,,0.0,MS1_match,RJFWJLUXDOXVBF-UHFFFAOYSA-N,"InChI=1S/C54H90O21/c1-23(20-68-47-42(65)39(62)36(59)30(73-47)21-69-46-41(64)37(60)34(57)25(3)70-46)9-10-28(56)24(2)27-13-15-52(8)32-12-11-31-50(5,6)33(14-16-53(31)22-54(32,53)18-17-51(27,52)7)74-48-44(67)40(63)45(26(4)71-48)75-49-43(66)38(61)35(58)29(19-55)72-49/h9,24-49,55-67H,10-22H2,1-8H3",CC(=CCC(O)C(C)C1CCC2(C)C3CCC4C(C)(C)C(OC5OC(C)C(OC6OC(CO)C(O)C(O)C6O)C(O)C5O)CCC45CC35CCC12C)COC1OC(COC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O,C54H90O21,pos_3_3sodium,1074.5974599,RJFWJLUXDOXVBF,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Thalictrum fortunei,5728049.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum fortunei'],6,0,6.0 132108,5816,238,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CCTSZLOYMHLMHP-UHFFFAOYSA-N,"InChI=1S/C10H16O5/c1-10(14)7(12)2-6-5(3-11)4-15-9(13)8(6)10/h5-8,11-12,14H,2-4H2,1H3",CC1(O)C(O)CC2C(CO)COC(=O)C21,C10H16O5,pos_2MNa,216.099773612,CCTSZLOYMHLMHP,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,0,6.0 132098,5815,-1,,,,0.0,MS1_match,OCNYGKNIVPVPPX-HWKANZROSA-N,"InChI=1S/C10H10O4/c1-14-10(13)5-3-7-2-4-8(11)9(12)6-7/h2-6,11-12H,1H3/b5-3+",COC(=O)/C=C/c1ccc(O)c(O)c1,C10H10O4,pos_1_1proton1acetonitrile,194.0579088,OCNYGKNIVPVPPX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera bournei,5746380.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera bournei'],7,0,7.0 132097,5813,-1,,,,0.390756,ISDB,WJCBCORBKKAWBG-ZTYVBPEOSA-N,"InChI=1S/C19H30O10/c1-9(2)10-4-5-19(3,26)12(6-10)29-18-17(25)16(24)15(23)11(28-18)8-27-14(22)7-13(20)21/h6,9,11-12,15-18,23-26H,4-5,7-8H2,1-3H3,(H,20,21)/t11-,12+,15-,16-,17-,18+,19-/m1/s1",CC(C)C1=C[C@H](O[C@@H]2O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@@H](O)[C@H]2O)[C@](C)(O)CC1,C19H30O10,,418.18389716,WJCBCORBKKAWBG,Terpenoids,Monoterpenoids,,Monarda punctata,514020.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Monarda'],['Monarda punctata'],4,0,5.563024044036865 132094,5812,161,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,0.29040155,ISDB,JLIUTAYKPGJIKJ-UHFFFAOYSA-N,"InChI=1S/C25H40O13/c1-11(36-24-22(34)20(32)18(30)16(9-27)38-24)4-5-14-12(6-13(28)7-25(14,2)3)10-35-23-21(33)19(31)17(29)15(8-26)37-23/h4-6,11,14-24,26-27,29-34H,7-10H2,1-3H3",CC(C=CC1C(COC2OC(CO)C(O)C(O)C2O)=CC(=O)CC1(C)C)OC1OC(CO)C(O)C(O)C1O,C25H40O13,,548.24689134,JLIUTAYKPGJIKJ,Terpenoids,Apocarotenoids,Megastigmanes,Hydrangea serrata,584050.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Hydrangeaceae'],['Hydrangeeae'],['Hydrangea'],['Hydrangea serrata'],4,1,5.661606192588806 132095,5812,161,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,0.29040155,ISDB,JLIUTAYKPGJIKJ-VWQLHZPCSA-N,"InChI=1S/C25H40O13/c1-11(36-24-22(34)20(32)18(30)16(9-27)38-24)4-5-14-12(6-13(28)7-25(14,2)3)10-35-23-21(33)19(31)17(29)15(8-26)37-23/h4-6,11,14-24,26-27,29-34H,7-10H2,1-3H3/b5-4+/t11-,14+,15-,16-,17-,18-,19+,20+,21-,22-,23-,24-/m1/s1",C[C@H](/C=C/[C@H]1C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=CC(=O)CC1(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C25H40O13,,548.24689134,JLIUTAYKPGJIKJ,Terpenoids,Apocarotenoids,Megastigmanes,Hydrangea macrophylla,162001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Hydrangeaceae'],['Hydrangeeae'],['Hydrangea'],['Hydrangea macrophylla'],4,1,5.661606192588806 132080,5809,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,GXWUEMSASMVWKO-IRJHRTJJSA-N,"InChI=1S/C41H66O12/c1-36(2)14-16-41(35(48)49)17-15-39(6)21(22(41)18-36)8-9-26-38(5)12-11-27(37(3,4)25(38)10-13-40(26,39)7)52-34-32(28(44)23(43)20-50-34)53-33-31(47)30(46)29(45)24(19-42)51-33/h8,22-34,42-47H,9-20H2,1-7H3,(H,48,49)/t22-,23+,24+,25-,26+,27-,28+,29+,30-,31+,32-,33-,34-,38-,39+,40+,41-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@@H](O)[C@@H](O)[C@@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C41H66O12,pos_1_1proton1ammonium,750.455427552,GXWUEMSASMVWKO,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lonicera nigra,179065.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera nigra'],8,3,9.5 132081,5809,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,GXWUEMSASMVWKO-IRJHRTJJSA-N,"InChI=1S/C41H66O12/c1-36(2)14-16-41(35(48)49)17-15-39(6)21(22(41)18-36)8-9-26-38(5)12-11-27(37(3,4)25(38)10-13-40(26,39)7)52-34-32(28(44)23(43)20-50-34)53-33-31(47)30(46)29(45)24(19-42)51-33/h8,22-34,42-47H,9-20H2,1-7H3,(H,48,49)/t22-,23+,24+,25-,26+,27-,28+,29+,30-,31+,32-,33-,34-,38-,39+,40+,41-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@@H](O)[C@@H](O)[C@@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C41H66O12,pos_1_1proton1ammonium,750.455427552,GXWUEMSASMVWKO,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lonicera nigra,179065.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera nigra'],8,3,9.5 132082,5809,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,GXWUEMSASMVWKO-IRJHRTJJSA-N,"InChI=1S/C41H66O12/c1-36(2)14-16-41(35(48)49)17-15-39(6)21(22(41)18-36)8-9-26-38(5)12-11-27(37(3,4)25(38)10-13-40(26,39)7)52-34-32(28(44)23(43)20-50-34)53-33-31(47)30(46)29(45)24(19-42)51-33/h8,22-34,42-47H,9-20H2,1-7H3,(H,48,49)/t22-,23+,24+,25-,26+,27-,28+,29+,30-,31+,32-,33-,34-,38-,39+,40+,41-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@@H](O)[C@@H](O)[C@@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C41H66O12,pos_1_1proton1ammonium,750.455427552,GXWUEMSASMVWKO,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lonicera nigra,179065.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera nigra'],8,3,9.5 132075,5807,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,UESBDVWPNXRGMG-CHUSNLCUSA-N,"InChI=1S/C26H35NO7/c1-11(2)21(30)34-14-7-23(5)10-27(32)15-9-24-6-12(3)16-17(29)19(24)25(8-14,18(15)23)22(27)26(24,31)20(16)33-13(4)28/h11,14-20,22,29,31H,3,6-10H2,1-2,4-5H3/t14-,15-,16+,17+,18+,19+,20+,22-,23+,24+,25-,26-,27-/m0/s1",C=C1C[C@@]23C[C@H]4[C@@H]5[C@]6(C)C[C@H](OC(=O)C(C)C)C[C@@]57[C@@H]2[C@H](O)[C@@H]1[C@@H](OC(C)=O)[C@]3(O)[C@H]7[N@+]4([O-])C6,C26H35NO7,pos_1_1proton1ammonium,473.24135246,UESBDVWPNXRGMG,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum coreanum,377294.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum coreanum'],6,0,6.0 132076,5807,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,CADWDUBJVBYWFP-XHQSDXEWSA-N,"InChI=1S/C24H35NO7/c1-27-11-20-6-5-17(29-3)23-15-7-13-14(28-2)8-22(24(15,26)18(13)30-4)21(9-16(20)23,31-12-32-22)19(23)25-10-20/h10,13-19,26H,5-9,11-12H2,1-4H3/t13-,14+,15+,16-,17+,18+,19-,20+,21-,22+,23-,24+/m1/s1",COC[C@@]12C=N[C@H]3[C@@]4([C@@H](OC)CC1)[C@@H]2C[C@@]31OCO[C@@]12C[C@H](OC)[C@H]1C[C@@H]4[C@]2(O)[C@H]1OC,C24H35NO7,pos_1_1proton1acetonitrile,449.24135246,CADWDUBJVBYWFP,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium caeruleum,884038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium caeruleum'],6,0,6.0 132077,5807,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,BFMKQHHAHFUOFC-WCENVSJRSA-N,"InChI=1S/C24H35NO7/c1-5-25-10-21(11-30-2)7-6-15(26)23-13-8-12-14(31-3)9-22(28,16(13)17(12)27)24(29,20(23)25)19(32-4)18(21)23/h6-7,12-16,18-20,26,28-29H,5,8-11H2,1-4H3/t12-,13-,14+,15+,16-,18-,19+,20+,21+,22-,23+,24-/m1/s1",CCN1C[C@]2(COC)C=C[C@H](O)[C@@]34[C@@H]5C[C@H]6C(=O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C24H35NO7,pos_1_1proton1acetonitrile,449.24135246,BFMKQHHAHFUOFC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum japonicum,5511352.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum japonicum'],6,0,6.0 132078,5807,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,ILGAPGCSXYBIJK-KTNVHQDHSA-N,"InChI=1S/C24H35NO7/c1-5-25-10-21-15-7-13-19(25)23(15,17(27)8-18(21)32-21)16-6-12-14(29-3)9-22(13,31-11(2)26)24(16,28)20(12)30-4/h12-20,27-28H,5-10H2,1-4H3/t12-,13+,14+,15-,16+,17+,18+,19-,20+,21-,22+,23+,24+/m1/s1",CCN1C[C@]23O[C@H]2C[C@H](O)[C@@]24[C@@H]3C[C@@H]([C@@H]12)[C@@]1(OC(C)=O)C[C@H](OC)[C@H]2C[C@@H]4[C@]1(O)[C@H]2OC,C24H35NO7,pos_1_1proton1acetonitrile,449.24135246,ILGAPGCSXYBIJK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum kirinense,5737821.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum kirinense'],6,0,6.0 132070,5805,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.5727112,ISDB,CWFCNWIAOJWEMI-UHFFFAOYSA-N,"InChI=1S/C20H29NO4/c1-6-19(4,21)18(23)25-17-14-11(2)10-24-16(14)15(22)13-9-7-8-12(3)20(13,17)5/h10,12-13,17H,6-9,21H2,1-5H3",CCC(C)(N)C(=O)OC1c2c(C)coc2C(=O)C2CCCC(C)C21C,C20H29NO4,,347.209658408,CWFCNWIAOJWEMI,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Pittocaulon velatum,5794280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Pittocaulon'],['Pittocaulon velatum'],4,1,6.790844917297363 132063,5804,-1,,,,0.0,MS1_match,NXJMINIPVKJRHD-CXGIBTINSA-N,"InChI=1S/C47H76O17/c1-22-30(51)33(54)35(56)38(60-22)63-37-31(52)25(50)20-59-40(37)62-29-11-12-43(4)27(44(29,5)21-49)10-13-46(7)28(43)9-8-23-24-18-42(2,3)14-16-47(24,17-15-45(23,46)6)41(58)64-39-36(57)34(55)32(53)26(19-48)61-39/h8,22,24-40,48-57H,9-21H2,1-7H3/t22-,24-,25-,26+,27+,28+,29-,30-,31-,32+,33+,34-,35+,36+,37+,38-,39-,40-,43-,44-,45+,46+,47-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)CC[C@]6(C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]45C)[C@]3(C)CO)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C47H76O17,pos_1_sodium,912.5082509720004,NXJMINIPVKJRHD,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 132064,5804,-1,,,,0.0,MS1_match,NXJMINIPVKJRHD-CXGIBTINSA-N,"InChI=1S/C47H76O17/c1-22-30(51)33(54)35(56)38(60-22)63-37-31(52)25(50)20-59-40(37)62-29-11-12-43(4)27(44(29,5)21-49)10-13-46(7)28(43)9-8-23-24-18-42(2,3)14-16-47(24,17-15-45(23,46)6)41(58)64-39-36(57)34(55)32(53)26(19-48)61-39/h8,22,24-40,48-57H,9-21H2,1-7H3/t22-,24-,25-,26+,27+,28+,29-,30-,31-,32+,33+,34-,35+,36+,37+,38-,39-,40-,43-,44-,45+,46+,47-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)CC[C@]6(C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]45C)[C@]3(C)CO)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C47H76O17,pos_1_sodium,912.5082509720004,NXJMINIPVKJRHD,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 132065,5804,-1,,,,0.0,MS1_match,NFIQKUQYFSTGFU-VWZQPUASSA-N,"InChI=1S/C47H76O17/c1-42(2)14-16-47(41(58)64-40-37(57)34(54)32(52)26(62-40)21-60-38-36(56)33(53)31(51)25(19-48)61-38)17-15-45(6)22(23(47)18-42)8-9-28-44(5)12-11-29(43(3,4)27(44)10-13-46(28,45)7)63-39-35(55)30(50)24(49)20-59-39/h8,23-40,48-57H,9-21H2,1-7H3/t23-,24-,25+,26+,27-,28+,29-,30-,31+,32+,33-,34-,35+,36+,37+,38+,39-,40-,44-,45+,46+,47-/m0/s1",CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C47H76O17,pos_1_sodium,912.5082509720002,NFIQKUQYFSTGFU,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 132060,5803,-1,,,,0.0,MS1_match,ZBRRQHJHHZFGNX-YQPXDFNPSA-N,"InChI=1S/C24H32NO10/c1-3-15-16(7-6-14-5-4-8-25(11-14)9-10-26)17(22(31)32-2)13-33-23(15)35-24-21(30)20(29)19(28)18(12-27)34-24/h3-8,11,13,15-16,18-21,23-24,26-30H,1,9-10,12H2,2H3/q+1/b7-6+/t15-,16+,18-,19-,20+,21-,23+,24+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1/C=C/c1ccc[n+](CCO)c1,C24H32NO10+,pos_1_1potassium,494.20207264409,ZBRRQHJHHZFGNX,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 132058,5802,-1,,,,0.0,MS1_match,HYPGAWDRWVQHEX-UHFFFAOYSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(15(22)23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2",O=C(C=Cc1ccc(O)c(O)c1)OC1C(O)OC(CO)C(O)C1O,C15H18O9,pos_1_1proton,342.095082156,HYPGAWDRWVQHEX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Dipsacus inermis,776357.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Dipsacus'],['Dipsacus inermis'],6,0,6.0 132059,5802,-1,,,,0.0,MS1_match,HYPGAWDRWVQHEX-UHFFFAOYSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(15(22)23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2",O=C(C=Cc1ccc(O)c(O)c1)OC1C(O)OC(CO)C(O)C1O,C15H18O9,pos_1_1proton,342.095082156,HYPGAWDRWVQHEX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Dipsacus asper,365911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Dipsacus'],['Dipsacus asper'],6,0,6.0 132014,5800,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.2431076,ISDB,WRYJYFCCMSVEPQ-MNIDVGFKSA-N,"InChI=1S/C42H68O13/c1-21-29(47)34(55-35-32(50)31(49)30(48)24(18-43)53-35)33(51)36(52-21)54-28-11-12-38(4)25(39(28,5)19-44)10-13-40(6)26(38)9-8-22-23-16-37(2,3)14-15-42(23,20-45)27(46)17-41(22,40)7/h8-9,21,24-36,43-51H,10-20H2,1-7H3/t21-,24-,25-,26-,27+,28+,29+,30-,31+,32-,33-,34+,35+,36+,38+,39+,40-,41-,42-/m1/s1",C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3C=CC3=C5CC(C)(C)CC[C@]5(CO)[C@@H](O)C[C@]34C)[C@]2(C)CO)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C42H68O13,,780.4659922360001,WRYJYFCCMSVEPQ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clinopodium micranthum,453485.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Clinopodium'],['Clinopodium micranthum'],4,3,6.472430408000946 132015,5800,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.2431076,ISDB,WRYJYFCCMSVEPQ-ORAXXRKOSA-N,"InChI=1S/C42H68O13/c1-21-29(47)34(55-35-32(50)31(49)30(48)24(18-43)53-35)33(51)36(52-21)54-28-11-12-38(4)25(39(28,5)19-44)10-13-40(6)26(38)9-8-22-23-16-37(2,3)14-15-42(23,20-45)27(46)17-41(22,40)7/h8-9,21,24-36,43-51H,10-20H2,1-7H3/t21-,24-,25-,26-,27-,28+,29+,30-,31+,32-,33-,34+,35+,36+,38+,39+,40-,41-,42-/m1/s1",C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3C=CC3=C5CC(C)(C)CC[C@]5(CO)[C@H](O)C[C@]34C)[C@]2(C)CO)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C42H68O13,,780.4659922360001,WRYJYFCCMSVEPQ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Bupleurum falcatum,892026.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Bupleureae'],['Bupleurum'],['Bupleurum falcatum'],4,3,6.472430408000946 132016,5800,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.2431076,ISDB,WRYJYFCCMSVEPQ-MNIDVGFKSA-N,"InChI=1S/C42H68O13/c1-21-29(47)34(55-35-32(50)31(49)30(48)24(18-43)53-35)33(51)36(52-21)54-28-11-12-38(4)25(39(28,5)19-44)10-13-40(6)26(38)9-8-22-23-16-37(2,3)14-15-42(23,20-45)27(46)17-41(22,40)7/h8-9,21,24-36,43-51H,10-20H2,1-7H3/t21-,24-,25-,26-,27+,28+,29+,30-,31+,32-,33-,34+,35+,36+,38+,39+,40-,41-,42-/m1/s1",C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3C=CC3=C5CC(C)(C)CC[C@]5(CO)[C@@H](O)C[C@]34C)[C@]2(C)CO)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C42H68O13,,780.4659922360001,WRYJYFCCMSVEPQ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Bupleurum smithii,820033.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Bupleureae'],['Bupleurum'],['Bupleurum smithii'],4,3,6.472430408000946 132017,5800,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.2431076,ISDB,WRYJYFCCMSVEPQ-UHFFFAOYSA-N,"InChI=1S/C42H68O13/c1-21-29(47)34(55-35-32(50)31(49)30(48)24(18-43)53-35)33(51)36(52-21)54-28-11-12-38(4)25(39(28,5)19-44)10-13-40(6)26(38)9-8-22-23-16-37(2,3)14-15-42(23,20-45)27(46)17-41(22,40)7/h8-9,21,24-36,43-51H,10-20H2,1-7H3",CC1OC(OC2CCC3(C)C(CCC4(C)C3C=CC3=C5CC(C)(C)CCC5(CO)C(O)CC34C)C2(C)CO)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O,C42H68O13,,780.4659922360001,WRYJYFCCMSVEPQ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Bupleurum smithii var. parvifolium,657161.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Bupleureae'],['Bupleurum'],['Bupleurum smithii'],4,3,6.472430408000946 132018,5800,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.2431076,ISDB,WRYJYFCCMSVEPQ-MNIDVGFKSA-N,"InChI=1S/C42H68O13/c1-21-29(47)34(55-35-32(50)31(49)30(48)24(18-43)53-35)33(51)36(52-21)54-28-11-12-38(4)25(39(28,5)19-44)10-13-40(6)26(38)9-8-22-23-16-37(2,3)14-15-42(23,20-45)27(46)17-41(22,40)7/h8-9,21,24-36,43-51H,10-20H2,1-7H3/t21-,24-,25-,26-,27+,28+,29+,30-,31+,32-,33-,34+,35+,36+,38+,39+,40-,41-,42-/m1/s1",C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3C=CC3=C5CC(C)(C)CC[C@]5(CO)[C@@H](O)C[C@]34C)[C@]2(C)CO)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C42H68O13,,780.4659922360001,WRYJYFCCMSVEPQ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Bupleurum chinense,486734.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Bupleureae'],['Bupleurum'],['Bupleurum chinense'],4,3,6.472430408000946 131989,5797,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.4902344,ISDB,JOOCFKONPKMQIN-KEBDBYFISA-N,"InChI=1S/C29H34O4/c1-18(2)7-6-8-20(5)10-13-23-25-15-21(11-9-19(3)4)26(31)17-28(25)33-27-16-22(30)12-14-24(27)29(23)32/h7,9-10,12,14-17,30-32H,6,8,11,13H2,1-5H3/b20-10+",CC(C)=CCC/C(C)=C/CC1=C(O)c2ccc(O)cc2Oc2cc(O)c(CC=C(C)C)cc21,C29H34O4,,446.245709568,JOOCFKONPKMQIN,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Artocarpus rigidus,563906.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Artocarpus'],['Artocarpus rigidus'],4,0,5.9609376192092896 131922,5795,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.25762317,ISDB,KEOITPILCOILGM-LLJOFIFVSA-N,"InChI=1S/C41H66O12/c1-21-28(44)30(46)31(47)33(51-21)53-32-29(45)24(43)19-50-34(32)52-27-11-12-37(4)25(38(27,5)20-42)10-13-40(7)26(37)9-8-22-23-18-36(2,3)14-16-41(23,35(48)49)17-15-39(22,40)6/h8,21,23-34,42-47H,9-20H2,1-7H3,(H,48,49)/t21-,23-,24-,25+,26+,27-,28-,29-,30+,31+,32+,33-,34-,37-,38-,39+,40+,41-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)CC[C@]6(C(=O)O)CC[C@]45C)[C@]3(C)CO)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C41H66O12,,750.4554275520003,KEOITPILCOILGM,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,9.530492663383484 131923,5795,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.25762317,ISDB,KEOITPILCOILGM-LLJOFIFVSA-N,"InChI=1S/C41H66O12/c1-21-28(44)30(46)31(47)33(51-21)53-32-29(45)24(43)19-50-34(32)52-27-11-12-37(4)25(38(27,5)20-42)10-13-40(7)26(37)9-8-22-23-18-36(2,3)14-16-41(23,35(48)49)17-15-39(22,40)6/h8,21,23-34,42-47H,9-20H2,1-7H3,(H,48,49)/t21-,23-,24-,25+,26+,27-,28-,29-,30+,31+,32+,33-,34-,37-,38-,39+,40+,41-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)CC[C@]6(C(=O)O)CC[C@]45C)[C@]3(C)CO)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C41H66O12,,750.4554275520003,KEOITPILCOILGM,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lonicera macrantha,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,9.530492663383484 131911,5793,-1,,,,0.24868736,ISDB,ATQGYQHJFMZNGI-HPMQQCADSA-N,"InChI=1S/C13H19NO5/c1-7-10(15)11(16)12(17)13(18-7)19-9-5-3-2-4-8(9)6-14/h2-5,7,10-13,15-17H,6,14H2,1H3/t7-,10-,11+,12+,13-/m0/s1",C[C@@H]1O[C@@H](Oc2ccccc2CN)[C@H](O)[C@H](O)[C@H]1O,C13H19NO5,,269.126322708,ATQGYQHJFMZNGI,Shikimates and Phenylpropanoids,,,Reseda odorata,359611.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Resedaceae'],['Unknown'],['Reseda'],['Reseda odorata'],4,0,4.994749426841736 131903,5791,-1,,,,0.0,MS1_match,RROGHRHLBLVQSG-ZIEWLMKPSA-N,"InChI=1S/C41H66O13/c1-36(2)13-15-41(35(49)50)16-14-39(5)21(22(41)17-36)7-8-26-37(3)11-10-27(38(4,20-43)25(37)9-12-40(26,39)6)53-34-32(28(45)23(44)19-51-34)54-33-31(48)30(47)29(46)24(18-42)52-33/h7,22-34,42-48H,8-20H2,1-6H3,(H,49,50)/t22-,23+,24+,25+,26+,27-,28+,29+,30-,31+,32-,33-,34-,37-,38-,39+,40+,41-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@@H](O)[C@@H](O)[C@@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C41H66O13,pos_1_sodium,766.450342172,RROGHRHLBLVQSG,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lonicera nigra,179065.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera nigra'],8,0,8.0 131904,5791,-1,,,,0.0,MS1_match,RROGHRHLBLVQSG-ZIEWLMKPSA-N,"InChI=1S/C41H66O13/c1-36(2)13-15-41(35(49)50)16-14-39(5)21(22(41)17-36)7-8-26-37(3)11-10-27(38(4,20-43)25(37)9-12-40(26,39)6)53-34-32(28(45)23(44)19-51-34)54-33-31(48)30(47)29(46)24(18-42)52-33/h7,22-34,42-48H,8-20H2,1-6H3,(H,49,50)/t22-,23+,24+,25+,26+,27-,28+,29+,30-,31+,32-,33-,34-,37-,38-,39+,40+,41-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@@H](O)[C@@H](O)[C@@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C41H66O13,pos_1_sodium,766.450342172,RROGHRHLBLVQSG,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lonicera nigra,179065.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera nigra'],8,0,8.0 131802,5790,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.26734576,ISDB,BFSRJRKZZSIEFP-MOHLSBLISA-N,"InChI=1S/C30H46O2/c1-24(2)14-16-29-17-15-28(7)27(6)12-8-20-25(3,4)23(31)10-11-26(20,5)21(27)9-13-30(28,32-19-29)22(29)18-24/h9,13,20-22H,8,10-12,14-19H2,1-7H3/t20-,21-,22-,26+,27-,28+,29-,30-/m1/s1",CC1(C)CC[C@@]23CC[C@@]4(C)[C@]5(C)CC[C@@H]6C(C)(C)C(=O)CC[C@]6(C)[C@H]5C=C[C@@]4(OC2)[C@@H]3C1,C30H46O2,,438.349780712,BFSRJRKZZSIEFP,Terpenoids,Triterpenoids,Oleanane triterpenoids,Viburnum odoratissimum var. awabuki,90825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Adoxaceae'],['Unknown'],['Viburnum'],['Viburnum awabuki'],5,3,7.569383025169373 131793,5789,1178,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.5710139,ISDB,DHMCGPVUHSTCIP-UHFFFAOYSA-N,"InChI=1S/C14H17NO4/c1-9(2)7-15-13(17)4-3-10-5-11(16)14-12(6-10)18-8-19-14/h3-6,9,16H,7-8H2,1-2H3,(H,15,17)",CC(C)CNC(=O)C=Cc1cc(O)c2c(c1)OCO2,C14H17NO4,,263.115758024,DHMCGPVUHSTCIP,Amino acids and Peptides,Phenylpropanoids (C6-C3),Cinnamic acid amides,Zanthoxylum heitzii,6125670.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum heitzii'],4,2,7.284055709838867 131783,5788,1019,Amino acids and Peptides,Coumarins,Cyanogenic glycosides,0.0,MS1_match,LLTOPKQGFAAMKH-UHFFFAOYSA-N,"InChI=1S/C12H12O4/c1-7-4-8(14-2)5-10-12(7)9(15-3)6-11(13)16-10/h4-6H,1-3H3",COc1cc(C)c2c(OC)cc(=O)oc2c1,C12H12O4,pos_1_1proton1ammonium,220.073558864,LLTOPKQGFAAMKH,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Clematis delavayi,72769.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis delavayi'],8,2,9.0 131782,5784,-1,,,,0.0,MS1_match,HGIHDUILBYERQC-CQSZACIVSA-N,"InChI=1S/C14H20O5/c1-9(2)13(17)19-8-14(18,7-15)11-5-4-10(3)6-12(11)16/h4-6,9,15-16,18H,7-8H2,1-3H3/t14-/m1/s1",Cc1ccc([C@@](O)(CO)COC(=O)C(C)C)c(O)c1,C14H20O5,pos_1_1proton1ammonium,268.13107374,HGIHDUILBYERQC,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Aconitum kongboense,723190.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum kongboense'],6,0,6.0 131781,5782,11,Alkaloids,Monoterpenoids,Iridoids monoterpenoids,0.29357842,ISDB,MLGXROJIIPYZRU-UHFFFAOYSA-N,"InChI=1S/C25H33NO12/c1-3-15-16(5-4-13-8-14(22(32)33)10-26(9-13)6-7-27)17(23(34)35-2)12-36-24(15)38-25-21(31)20(30)19(29)18(11-28)37-25/h3-5,8,10,12,15-16,18-21,24-25,27-31H,1,6-7,9,11H2,2H3,(H,32,33)",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1C=CC1=CC(C(=O)O)=CN(CCO)C1,C25H33NO12,,539.200275496,MLGXROJIIPYZRU,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],0,2,2.1743136644363403 131687,5781,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.21672335,ISDB,UEHILKCNLIKLEV-LXABABOZSA-N,"InChI=1S/C53H86O22/c1-23-32(57)35(60)39(64)45(70-23)74-42-27(19-54)71-43(41(66)37(42)62)69-21-28-34(59)36(61)40(65)46(72-28)75-47(67)53-16-14-48(2,3)18-25(53)24-8-9-30-49(4)12-11-31(73-44-38(63)33(58)26(56)20-68-44)50(5,22-55)29(49)10-13-52(30,7)51(24,6)15-17-53/h8,23,25-46,54-66H,9-22H2,1-7H3/t23-,25-,26-,27+,28+,29+,30+,31-,32-,33-,34+,35+,36-,37+,38+,39+,40+,41+,42+,43+,44-,45-,46-,49-,50-,51+,52+,53-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C4=CC[C@@H]6[C@@]7(C)CC[C@H](O[C@@H]8OC[C@H](O)[C@H](O)[C@H]8O)[C@@](C)(CO)[C@@H]7CC[C@@]6(C)[C@]4(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O,C53H86O22,,1074.561074392,UEHILKCNLIKLEV,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis chinensis,841986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis chinensis'],8,3,10.366893410682678 131688,5781,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.21672335,ISDB,UEHILKCNLIKLEV-FMYTYVRISA-N,"InChI=1S/C53H86O22/c1-23-32(57)35(60)39(64)45(70-23)74-42-27(19-54)71-43(41(66)37(42)62)69-21-28-34(59)36(61)40(65)46(72-28)75-47(67)53-16-14-48(2,3)18-25(53)24-8-9-30-49(4)12-11-31(73-44-38(63)33(58)26(56)20-68-44)50(5,22-55)29(49)10-13-52(30,7)51(24,6)15-17-53/h8,23,25-46,54-66H,9-22H2,1-7H3/t23-,25-,26+,27+,28+,29+,30+,31-,32-,33+,34+,35+,36-,37+,38+,39+,40+,41+,42+,43+,44-,45-,46-,49-,50-,51+,52+,53-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C4=CC[C@@H]6[C@@]7(C)CC[C@H](O[C@@H]8OC[C@@H](O)[C@@H](O)[C@H]8O)[C@@](C)(CO)[C@@H]7CC[C@@]6(C)[C@]4(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O,C53H86O22,,1074.561074392,UEHILKCNLIKLEV,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis tibetana,972666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tibetana'],8,3,10.366893410682678 131689,5781,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.21672335,ISDB,UEHILKCNLIKLEV-LXABABOZSA-N,"InChI=1S/C53H86O22/c1-23-32(57)35(60)39(64)45(70-23)74-42-27(19-54)71-43(41(66)37(42)62)69-21-28-34(59)36(61)40(65)46(72-28)75-47(67)53-16-14-48(2,3)18-25(53)24-8-9-30-49(4)12-11-31(73-44-38(63)33(58)26(56)20-68-44)50(5,22-55)29(49)10-13-52(30,7)51(24,6)15-17-53/h8,23,25-46,54-66H,9-22H2,1-7H3/t23-,25-,26-,27+,28+,29+,30+,31-,32-,33-,34+,35+,36-,37+,38+,39+,40+,41+,42+,43+,44-,45-,46-,49-,50-,51+,52+,53-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C4=CC[C@@H]6[C@@]7(C)CC[C@H](O[C@@H]8OC[C@H](O)[C@H](O)[C@H]8O)[C@@](C)(CO)[C@@H]7CC[C@@]6(C)[C@]4(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O,C53H86O22,,1074.561074392,UEHILKCNLIKLEV,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis orientalis,594147.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis orientalis'],8,3,10.366893410682678 131682,5780,-1,,,,0.0,MS1_match,HKEAFJYKMMKDOR-VPRICQMDSA-N,"InChI=1S/C21H20O9/c22-7-14-17(26)18(27)19(28)21(30-14)15-13(24)6-5-11-16(25)12(8-29-20(11)15)9-1-3-10(23)4-2-9/h1-6,8,14,17-19,21-24,26-28H,7H2/t14-,17-,18+,19-,21+/m1/s1",O=c1c(-c2ccc(O)cc2)coc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)ccc12,C21H20O9,pos_1_sodium,416.1107322199998,HKEAFJYKMMKDOR,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Clematis hexapetala,226633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis hexapetala'],8,0,8.0 131683,5780,-1,,,,0.0,MS1_match,HKEAFJYKMMKDOR-VPRICQMDSA-N,"InChI=1S/C21H20O9/c22-7-14-17(26)18(27)19(28)21(30-14)15-13(24)6-5-11-16(25)12(8-29-20(11)15)9-1-3-10(23)4-2-9/h1-6,8,14,17-19,21-24,26-28H,7H2/t14-,17-,18+,19-,21+/m1/s1",O=c1c(-c2ccc(O)cc2)coc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)ccc12,C21H20O9,pos_1_sodium,416.1107322199998,HKEAFJYKMMKDOR,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Clematis hexapetala,226633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis hexapetala'],8,0,8.0 131679,5776,1205,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Terpenoid alkaloids,0.0,MS1_match,XRKBRPFTFKKHEF-DGDBGZAXSA-N,"InChI=1S/C17H22O10/c1-24-9-5-8(6-10(25-2)13(9)20)3-4-12(19)27-17-16(23)15(22)14(21)11(7-18)26-17/h3-6,11,14-18,20-23H,7H2,1-2H3/b4-3+/t11-,14-,15+,16-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,C17H22O10,pos_1_1proton2acetonitrile,386.1212969039999,XRKBRPFTFKKHEF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Adonis aleppica,6130911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Adonideae'],['Adonis'],['Adonis aleppica'],6,2,7.0 131680,5776,1205,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Terpenoid alkaloids,0.0,MS1_match,QWIIMHNSFMCFHE-IWHNWRMISA-N,"InChI=1S/C17H22O10/c1-26-11-5-8(6-12(27-2)15(11)23)3-4-9(19)13(21)16(24)17(25)14(22)10(20)7-18/h3-6,10,14,16-18,20,22-25H,7H2,1-2H3/b4-3+/t10-,14-,16+,17+/m1/s1",COc1cc(/C=C/C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)cc(OC)c1O,C17H22O10,pos_1_1proton2acetonitrile,386.121296904,QWIIMHNSFMCFHE,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Adonis aleppica,6130911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Adonideae'],['Adonis'],['Adonis aleppica'],6,2,7.0 131674,5775,-1,,,,0.0,MS1_match,FBBKXUQEUJYJAW-LXUWXYTASA-N,"InChI=1S/C35H34O19/c36-11-23-27(46)29(48)33(54-34-32(26(45)21(43)12-49-34)52-24(44)6-2-13-1-4-16(38)18(40)7-13)35(51-23)53-31-28(47)25-20(42)9-15(37)10-22(25)50-30(31)14-3-5-17(39)19(41)8-14/h1-10,21,23,26-27,29,32-43,45-46,48H,11-12H2/b6-2+/t21-,23+,26-,27-,29-,32+,33+,34-,35-/m0/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O[C@H]2[C@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)O[C@H](CO)[C@H](O)[C@@H]2O)OC[C@H](O)[C@@H]1O,C35H34O19,pos_1_1proton1methanol,758.1694288680003,FBBKXUQEUJYJAW,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Helleborus viridis,948053.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Helleboreae'],['Helleborus'],['Helleborus viridis'],6,0,6.0 131675,5775,-1,,,,0.0,MS1_match,FBBKXUQEUJYJAW-LXUWXYTASA-N,"InChI=1S/C35H34O19/c36-11-23-27(46)29(48)33(54-34-32(26(45)21(43)12-49-34)52-24(44)6-2-13-1-4-16(38)18(40)7-13)35(51-23)53-31-28(47)25-20(42)9-15(37)10-22(25)50-30(31)14-3-5-17(39)19(41)8-14/h1-10,21,23,26-27,29,32-43,45-46,48H,11-12H2/b6-2+/t21-,23+,26-,27-,29-,32+,33+,34-,35-/m0/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O[C@H]2[C@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)O[C@H](CO)[C@H](O)[C@@H]2O)OC[C@H](O)[C@@H]1O,C35H34O19,pos_1_1proton1methanol,758.1694288680003,FBBKXUQEUJYJAW,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus cantoniensis,118756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus cantoniensis'],6,0,6.0 131676,5775,-1,,,,0.0,MS1_match,FBBKXUQEUJYJAW-LXUWXYTASA-N,"InChI=1S/C35H34O19/c36-11-23-27(46)29(48)33(54-34-32(26(45)21(43)12-49-34)52-24(44)6-2-13-1-4-16(38)18(40)7-13)35(51-23)53-31-28(47)25-20(42)9-15(37)10-22(25)50-30(31)14-3-5-17(39)19(41)8-14/h1-10,21,23,26-27,29,32-43,45-46,48H,11-12H2/b6-2+/t21-,23+,26-,27-,29-,32+,33+,34-,35-/m0/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O[C@H]2[C@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)O[C@H](CO)[C@H](O)[C@@H]2O)OC[C@H](O)[C@@H]1O,C35H34O19,pos_1_1proton1methanol,758.1694288680003,FBBKXUQEUJYJAW,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus chinensis,162150.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus chinensis'],6,0,6.0 131672,5773,238,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RFTKPXQZIVKVOP-PMQCXRHVSA-N,"InChI=1S/C16H20O9/c1-23-10-4-2-8(6-9(10)18)3-5-12(19)25-16-15(22)14(21)13(20)11(7-17)24-16/h2-6,11,13-18,20-22H,7H2,1H3/b5-3+/t11-,13-,14+,15-,16+/m1/s1",COc1ccc(/C=C/C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1O,C16H20O9,pos_1_sodium,356.11073222,RFTKPXQZIVKVOP,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Actaea racemosa,512702.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea racemosa'],6,3,7.5 131671,5771,-1,,,,0.0,MS1_match,RTVFIUBAXAZKSU-UHFFFAOYSA-N,"InChI=1S/C22H19NO6/c1-23-8-14-20(18(25-3)7-19-22(14)29-10-28-19)13-6-15(24-2)11-4-16-17(27-9-26-16)5-12(11)21(13)23/h4-7H,8-10H2,1-3H3",COc1cc2c(c3c1-c1cc(OC)c4cc5c(cc4c1N(C)C3)OCO5)OCO2,C22H19NO6,pos_2_2proton1acetonitrile,393.121237328,RTVFIUBAXAZKSU,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Thalictrum lucidum,977702.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum lucidum'],6,0,6.0 131668,5766,-1,,,,0.8490413,ISDB,ZRJHYOXNWCMGMW-YUMQZZPRSA-N,"InChI=1S/C11H19N5O2/c12-11(13)14-5-1-3-7-10(18)16-6-2-4-8(16)9(17)15-7/h7-8H,1-6H2,(H,15,17)(H4,12,13,14)/t7-,8-/m0/s1",N=C(N)NCCC[C@@H]1NC(=O)[C@@H]2CCCN2C1=O,C11H19N5O2,,253.153874848,ZRJHYOXNWCMGMW,Amino acids and Peptides,Small peptides,Dipeptides,Axinella vaceleti,153529.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Axinellida'],['Axinellidae'],['Unknown'],['Axinella'],['Axinella vaceleti'],1,0,4.396165132522583 131666,5765,-1,,,,0.48334837,ISDB,,,,,,,IKYLOLYDHRFIOQ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.9333934783935547 131665,5763,-1,,,,0.0,MS1_match,GWNCJTZKIAESFW-OYZDMABCSA-N,"InChI=1S/C45H70O19/c1-17(16-58-41-38(56)36(54)33(51)27(14-46)62-41)6-9-25-18(2)30-26(61-25)12-23-22-8-7-20-10-21(11-29(49)45(20,5)31(22)24(48)13-44(23,30)4)60-43-40(37(55)34(52)28(15-47)63-43)64-42-39(57)35(53)32(50)19(3)59-42/h7,19,21-24,26-43,46-57H,1,6,8-16H2,2-5H3/t19-,21+,22-,23-,24+,26-,27+,28+,29+,30-,31+,32-,33+,34+,35+,36-,37-,38+,39+,40+,41+,42-,43+,44-,45+/m0/s1",C=C(CCC1=C(C)[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)C[C@@H](O)[C@]5(C)[C@H]4[C@H](O)C[C@@]32C)O1)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C45H70O19,pos_2_1proton1potassium,914.45113002,GWNCJTZKIAESFW,Terpenoids,Steroids,Ergostane steroids,Helleborus orientalis,648046.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Helleboreae'],['Helleborus'],['Helleborus orientalis'],6,0,6.0 131661,5759,-1,,,,0.0,MS1_match,FHCHSXPHLRBEBR-LBPRGKRZSA-N,"InChI=1S/C15H16O6/c1-15(2,19)12-4-8-10(21-12)5-11-13(14(8)18)9(17)3-7(6-16)20-11/h3,5,12,16,18-19H,4,6H2,1-2H3/t12-/m0/s1",CC(C)(O)[C@@H]1Cc2c(cc3oc(CO)cc(=O)c3c2O)O1,C15H16O6,pos_1_1proton1acetonitrile,292.094688232,FHCHSXPHLRBEBR,Polyketides,Chromanes,Chromones,Actaea cimicifuga,988720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea cimicifuga'],6,0,6.0 131662,5759,-1,,,,0.0,MS1_match,FHCHSXPHLRBEBR-LBPRGKRZSA-N,"InChI=1S/C15H16O6/c1-15(2,19)12-4-8-10(21-12)5-11-13(14(8)18)9(17)3-7(6-16)20-11/h3,5,12,16,18-19H,4,6H2,1-2H3/t12-/m0/s1",CC(C)(O)[C@@H]1Cc2c(cc3oc(CO)cc(=O)c3c2O)O1,C15H16O6,pos_1_1proton1acetonitrile,292.094688232,FHCHSXPHLRBEBR,Polyketides,Chromanes,Chromones,Actaea elata,988729.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea elata'],6,0,6.0 131663,5759,-1,,,,0.0,MS1_match,YLSUOAXNFAMZNP-KRXBUXKQSA-N,"InChI=1S/C15H16O6/c1-8(6-16)2-3-10-11(18)5-13(20)14-12(19)4-9(7-17)21-15(10)14/h2,4-5,16-18,20H,3,6-7H2,1H3/b8-2+",C/C(=C\Cc1c(O)cc(O)c2c(=O)cc(CO)oc12)CO,C15H16O6,pos_1_1proton1acetonitrile,292.094688232,YLSUOAXNFAMZNP,Polyketides,Chromanes,Chromones,Eranthis hyemalis,756503.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Eranthis'],['Eranthis hyemalis'],6,0,6.0 131664,5759,-1,,,,0.0,MS1_match,YLSUOAXNFAMZNP-KRXBUXKQSA-N,"InChI=1S/C15H16O6/c1-8(6-16)2-3-10-11(18)5-13(20)14-12(19)4-9(7-17)21-15(10)14/h2,4-5,16-18,20H,3,6-7H2,1H3/b8-2+",C/C(=C\Cc1c(O)cc(O)c2c(=O)cc(CO)oc12)CO,C15H16O6,pos_1_1proton1acetonitrile,292.094688232,YLSUOAXNFAMZNP,Polyketides,Chromanes,Chromones,Eranthis cilicica,5922989.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Eranthis'],['Eranthis cilicica'],6,0,6.0 131654,5752,-1,,,,0.0,MS1_match,IPRPPFIAVHPVJH-UHFFFAOYSA-N,"InChI=1S/C8H8O2/c9-6-5-7-1-3-8(10)4-2-7/h1-4,6,10H,5H2",O=CCc1ccc(O)cc1,C8H8O2,pos_1_1proton,136.052429496,IPRPPFIAVHPVJH,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis parviloba,5737758.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis parviloba'],8,0,8.0 131647,5751,-1,,,,0.38372824,ISDB,DMJYNLHZLIZUQE-YLWLKBPMSA-N,"InChI=1S/C11H13NO4/c1-5-7-4-10(14)9(13)3-6(7)2-8(12-5)11(15)16/h3-5,8,12-14H,2H2,1H3,(H,15,16)/t5-,8+/m0/s1",C[C@@H]1N[C@@H](C(=O)O)Cc2cc(O)c(O)cc21,C11H13NO4,,223.084457896,DMJYNLHZLIZUQE,Alkaloids,Tyrosine alkaloids,,Mucuna pruriens var. utilis,1010064.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Mucuna'],['Mucuna pruriens'],4,0,5.534912943840027 131648,5751,-1,,,,0.38372824,ISDB,DMJYNLHZLIZUQE-XNCJUZBTSA-N,"InChI=1S/C11H13NO4/c1-5-7-4-10(14)9(13)3-6(7)2-8(12-5)11(15)16/h3-5,8,12-14H,2H2,1H3,(H,15,16)/t5-,8-/m0/s1",C[C@@H]1N[C@H](C(=O)O)Cc2cc(O)c(O)cc21,C11H13NO4,,223.084457896,DMJYNLHZLIZUQE,Alkaloids,Tyrosine alkaloids,,Mucuna pruriens,569266.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Mucuna'],['Mucuna pruriens'],4,0,5.534912943840027 131640,5747,-1,,,,0.45260668,ISDB,AFXUOKDSKBJSRH-SCSAIBSYSA-N,"InChI=1S/C6H9NO2/c1-3-4(2)9-6(8)5(3)7/h4H,7H2,1-2H3/t4-/m1/s1",CC1=C(N)C(=O)O[C@@H]1C,C6H9NO2,,127.063328528,AFXUOKDSKBJSRH,,,,Quararibea funebris,5762173.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Quararibea'],['Quararibea funebris'],4,0,5.810426712036133 131638,5746,-1,,,,0.0,MS1_match,ZVIQIPQKRVKNLN-GZMMTYOYSA-N,"InChI=1S/C12H16O7/c13-5-8(14)6-19-12(18)11(17)4-7-1-2-9(15)10(16)3-7/h1-3,8,11,13-17H,4-6H2/t8-,11+/m0/s1",O=C(OC[C@@H](O)CO)[C@H](O)Cc1ccc(O)c(O)c1,C12H16O7,pos_2MHCH3CN,272.089602852,ZVIQIPQKRVKNLN,Shikimates and Phenylpropanoids,,,Ranunculus cantoniensis,118756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus cantoniensis'],6,0,6.0 131639,5746,-1,,,,0.0,MS1_match,ZVIQIPQKRVKNLN-GZMMTYOYSA-N,"InChI=1S/C12H16O7/c13-5-8(14)6-19-12(18)11(17)4-7-1-2-9(15)10(16)3-7/h1-3,8,11,13-17H,4-6H2/t8-,11+/m0/s1",O=C(OC[C@@H](O)CO)[C@H](O)Cc1ccc(O)c(O)c1,C12H16O7,pos_2MHCH3CN,272.089602852,ZVIQIPQKRVKNLN,Shikimates and Phenylpropanoids,,,Ranunculus chinensis,162150.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus chinensis'],6,0,6.0 131636,5745,21,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QQRSPHJOOXUALR-UHFFFAOYSA-N,"InChI=1S/C12H14O4/c1-4-5-8-6-9(13-2)11-12(10(8)14-3)16-7-15-11/h4,6H,1,5,7H2,2-3H3",C=CCc1cc(OC)c2c(c1OC)OCO2,C12H14O4,pos_1_1proton2acetonitrile,222.089208928,QQRSPHJOOXUALR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Nigella sativa,142360.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Nigelleae'],['Nigella'],['Nigella sativa'],6,3,7.5 131637,5745,21,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ATJVZXXHKSYELS-FNORWQNLSA-N,"InChI=1S/C12H14O4/c1-3-16-12(14)7-5-9-4-6-10(13)11(8-9)15-2/h4-8,13H,3H2,1-2H3/b7-5+",CCOC(=O)/C=C/c1ccc(O)c(OC)c1,C12H14O4,pos_1_1proton2acetonitrile,222.089208928,ATJVZXXHKSYELS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Coptis japonica,387829.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Coptis'],['Coptis japonica'],6,3,7.5 131611,5736,320,Amino acids and Peptides,Cyclic polyketides,Cyanogenic glycosides,0.2649244,ISDB,KCVXNPDAHDGXFD-GMDXDWKASA-N,"InChI=1S/C14H17NO7/c15-5-9(7-2-1-3-8(17)4-7)21-14-13(20)12(19)11(18)10(6-16)22-14/h1-4,9-14,16-20H,6H2/t9-,10+,11+,12-,13+,14+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1cccc(O)c1,C14H17NO7,,311.100501884,KCVXNPDAHDGXFD,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Sambucus nigra,1042130.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Adoxaceae'],['Unknown'],['Sambucus'],['Sambucus nigra'],5,3,7.55969762802124 131548,5734,55,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,XFSBVAOIAHNAPC-XTHSEXKGSA-N,"InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3/t19-,20-,21+,22-,23+,24+,25-,26?,27+,28-,29+,31+,32-,33+,34-/m1/s1",CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@]34C1[C@H]([C@H](OC)[C@H]23)[C@]1(OC(C)=O)[C@H]2[C@@H](OC(=O)c3ccccc3)[C@](O)(C[C@H]24)[C@@H](OC)[C@@H]1O,C34H47NO11,pos_1_1proton1methanol,645.3149113239998,XFSBVAOIAHNAPC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum karakolicum,44345.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum karakolicum'],6,3,7.5 131549,5734,55,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,XFSBVAOIAHNAPC-XTHSEXKGSA-N,"InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3/t19-,20-,21+,22-,23+,24+,25-,26?,27+,28-,29+,31+,32-,33+,34-/m1/s1",CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@]34C1[C@H]([C@H](OC)[C@H]23)[C@]1(OC(C)=O)[C@H]2[C@@H](OC(=O)c3ccccc3)[C@](O)(C[C@H]24)[C@@H](OC)[C@@H]1O,C34H47NO11,pos_1_1proton1methanol,645.3149113239998,XFSBVAOIAHNAPC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum soongaricum,5143682.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum soongaricum'],6,3,7.5 131550,5734,55,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,XFSBVAOIAHNAPC-XTHSEXKGSA-N,"InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3/t19-,20-,21+,22-,23+,24+,25-,26?,27+,28-,29+,31+,32-,33+,34-/m1/s1",CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@]34C1[C@H]([C@H](OC)[C@H]23)[C@]1(OC(C)=O)[C@H]2[C@@H](OC(=O)c3ccccc3)[C@](O)(C[C@H]24)[C@@H](OC)[C@@H]1O,C34H47NO11,pos_1_1proton1methanol,645.3149113239998,XFSBVAOIAHNAPC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum altaicum,6131341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum altaicum'],6,3,7.5 131551,5734,55,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,XFSBVAOIAHNAPC-XTHSEXKGSA-N,"InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3/t19-,20-,21+,22-,23+,24+,25-,26?,27+,28-,29+,31+,32-,33+,34-/m1/s1",CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@]34C1[C@H]([C@H](OC)[C@H]23)[C@]1(OC(C)=O)[C@H]2[C@@H](OC(=O)c3ccccc3)[C@](O)(C[C@H]24)[C@@H](OC)[C@@H]1O,C34H47NO11,pos_1_1proton1methanol,645.3149113239998,XFSBVAOIAHNAPC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum napellus,586780.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum napellus'],6,3,7.5 131552,5734,55,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,XFSBVAOIAHNAPC-XTHSEXKGSA-N,"InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3/t19-,20-,21+,22-,23+,24+,25-,26?,27+,28-,29+,31+,32-,33+,34-/m1/s1",CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@]34C1[C@H]([C@H](OC)[C@H]23)[C@]1(OC(C)=O)[C@H]2[C@@H](OC(=O)c3ccccc3)[C@](O)(C[C@H]24)[C@@H](OC)[C@@H]1O,C34H47NO11,pos_1_1proton1methanol,645.3149113239998,XFSBVAOIAHNAPC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum turczaninowii,1014257.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum baicalense'],6,3,7.5 131553,5734,55,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,XFSBVAOIAHNAPC-XTHSEXKGSA-N,"InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3/t19-,20-,21+,22-,23+,24+,25-,26?,27+,28-,29+,31+,32-,33+,34-/m1/s1",CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@]34C1[C@H]([C@H](OC)[C@H]23)[C@]1(OC(C)=O)[C@H]2[C@@H](OC(=O)c3ccccc3)[C@](O)(C[C@H]24)[C@@H](OC)[C@@H]1O,C34H47NO11,pos_1_1proton1methanol,645.3149113239998,XFSBVAOIAHNAPC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium sclerocladum,784176.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitella'],['Aconitella scleroclada'],6,3,7.5 131554,5734,55,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,XFSBVAOIAHNAPC-AYUVKHDASA-N,"InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3/t19-,20?,21+,22-,23+,24+,25-,26?,27+,28-,29+,31+,32+,33+,34-/m1/s1",CCN1C[C@]2(COC)C(O)C[C@H](OC)[C@]34C1[C@H]([C@H](OC)[C@H]23)[C@]1(OC(C)=O)[C@H]2[C@@H](OC(=O)c3ccccc3)[C@@](O)(C[C@H]24)[C@@H](OC)[C@@H]1O,C34H47NO11,pos_1_1proton1methanol,645.314911324,XFSBVAOIAHNAPC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum liangshanicum,111880.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum liangshanicum'],6,3,7.5 131555,5734,55,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,XFSBVAOIAHNAPC-XTHSEXKGSA-N,"InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3/t19-,20-,21+,22-,23+,24+,25-,26?,27+,28-,29+,31+,32-,33+,34-/m1/s1",CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@]34C1[C@H]([C@H](OC)[C@H]23)[C@]1(OC(C)=O)[C@H]2[C@@H](OC(=O)c3ccccc3)[C@](O)(C[C@H]24)[C@@H](OC)[C@@H]1O,C34H47NO11,pos_1_1proton1methanol,645.3149113239998,XFSBVAOIAHNAPC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum,756111.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Unknown'],6,3,7.5 131556,5734,55,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,XFSBVAOIAHNAPC-XTHSEXKGSA-N,"InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3/t19-,20-,21+,22-,23+,24+,25-,26?,27+,28-,29+,31+,32-,33+,34-/m1/s1",CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@]34C1[C@H]([C@H](OC)[C@H]23)[C@]1(OC(C)=O)[C@H]2[C@@H](OC(=O)c3ccccc3)[C@](O)(C[C@H]24)[C@@H](OC)[C@@H]1O,C34H47NO11,pos_1_1proton1methanol,645.3149113239998,XFSBVAOIAHNAPC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Gymnaconitum gymnandrum,511673.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Gymnaconitum'],['Gymnaconitum gymnandrum'],6,3,7.5 131557,5734,55,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,XFSBVAOIAHNAPC-NPVHKAFCSA-N,"InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3/t19-,20-,21+,22-,23+,24+,25-,26-,27+,28-,29+,31+,32-,33+,34-/m1/s1",CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@@]34[C@@H]5C[C@@]6(O)[C@H](OC(=O)c7ccccc7)[C@@H]5[C@@](OC(C)=O)([C@@H]([C@H](OC)[C@H]23)[C@@H]14)[C@@H](O)[C@@H]6OC,C34H47NO11,pos_1_1proton1methanol,645.3149113239998,XFSBVAOIAHNAPC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum japonicum,5511352.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum japonicum'],6,3,7.5 131558,5734,55,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,XFSBVAOIAHNAPC-XTHSEXKGSA-N,"InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3/t19-,20-,21+,22-,23+,24+,25-,26?,27+,28-,29+,31+,32-,33+,34-/m1/s1",CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@]34C1[C@H]([C@H](OC)[C@H]23)[C@]1(OC(C)=O)[C@H]2[C@@H](OC(=O)c3ccccc3)[C@](O)(C[C@H]24)[C@@H](OC)[C@@H]1O,C34H47NO11,pos_1_1proton1methanol,645.3149113239998,XFSBVAOIAHNAPC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum carmichaelii,549536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum carmichaelii'],6,3,7.5 131559,5734,55,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,XFSBVAOIAHNAPC-XTHSEXKGSA-N,"InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3/t19-,20-,21+,22-,23+,24+,25-,26?,27+,28-,29+,31+,32-,33+,34-/m1/s1",CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@]34C1[C@H]([C@H](OC)[C@H]23)[C@]1(OC(C)=O)[C@H]2[C@@H](OC(=O)c3ccccc3)[C@](O)(C[C@H]24)[C@@H](OC)[C@@H]1O,C34H47NO11,pos_1_1proton1methanol,645.3149113239998,XFSBVAOIAHNAPC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum henryi,5511349.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum henryi'],6,3,7.5 131560,5734,55,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,XFSBVAOIAHNAPC-XTHSEXKGSA-N,"InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3/t19-,20-,21+,22-,23+,24+,25-,26?,27+,28-,29+,31+,32-,33+,34-/m1/s1",CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@]34C1[C@H]([C@H](OC)[C@H]23)[C@]1(OC(C)=O)[C@H]2[C@@H](OC(=O)c3ccccc3)[C@](O)(C[C@H]24)[C@@H](OC)[C@@H]1O,C34H47NO11,pos_1_1proton1methanol,645.3149113239998,XFSBVAOIAHNAPC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum sungpanense,1042521.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum sungpanense'],6,3,7.5 131561,5734,55,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,XFSBVAOIAHNAPC-XTHSEXKGSA-N,"InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3/t19-,20-,21+,22-,23+,24+,25-,26?,27+,28-,29+,31+,32-,33+,34-/m1/s1",CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@]34C1[C@H]([C@H](OC)[C@H]23)[C@]1(OC(C)=O)[C@H]2[C@@H](OC(=O)c3ccccc3)[C@](O)(C[C@H]24)[C@@H](OC)[C@@H]1O,C34H47NO11,pos_1_1proton1methanol,645.3149113239998,XFSBVAOIAHNAPC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum confertiflorum,3944951.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum confertiflorum'],6,3,7.5 131562,5734,55,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,XFSBVAOIAHNAPC-XTHSEXKGSA-N,"InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3/t19-,20-,21+,22-,23+,24+,25-,26?,27+,28-,29+,31+,32-,33+,34-/m1/s1",CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@]34C1[C@H]([C@H](OC)[C@H]23)[C@]1(OC(C)=O)[C@H]2[C@@H](OC(=O)c3ccccc3)[C@](O)(C[C@H]24)[C@@H](OC)[C@@H]1O,C34H47NO11,pos_1_1proton1methanol,645.3149113239998,XFSBVAOIAHNAPC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum baicalense,1014257.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum baicalense'],6,3,7.5 131563,5734,55,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,XFSBVAOIAHNAPC-XTHSEXKGSA-N,"InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3/t19-,20-,21+,22-,23+,24+,25-,26?,27+,28-,29+,31+,32-,33+,34-/m1/s1",CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@]34C1[C@H]([C@H](OC)[C@H]23)[C@]1(OC(C)=O)[C@H]2[C@@H](OC(=O)c3ccccc3)[C@](O)(C[C@H]24)[C@@H](OC)[C@@H]1O,C34H47NO11,pos_1_1proton1methanol,645.3149113239998,XFSBVAOIAHNAPC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum anthora,14057.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum anthora'],6,3,7.5 131564,5734,55,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,XFSBVAOIAHNAPC-DTIGCWNHSA-N,"InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3/t19-,20-,21-,22-,23+,24+,25-,26-,27-,28+,29+,31+,32-,33+,34-/m1/s1",CCN1C[C@]2(COC)[C@H](O)C[C@@H](OC)[C@@]34[C@@H]5C[C@@]6(O)[C@@H](OC(=O)c7ccccc7)[C@@H]5[C@@](OC(C)=O)([C@@H]([C@H](OC)[C@H]23)[C@@H]14)[C@H](O)[C@@H]6OC,C34H47NO11,pos_1_1proton1methanol,645.314911324,XFSBVAOIAHNAPC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum chasmanthum,5737840.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum chasmanthum'],6,3,7.5 131565,5734,55,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,XFSBVAOIAHNAPC-UVNSTBNHSA-N,"InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3/t19-,20-,21+,22-,23+,24-,25-,26-,27+,28-,29+,31+,32-,33+,34+/m1/s1",CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@@]34[C@@H]5C[C@@]6(O)[C@H](OC(=O)c7ccccc7)[C@@H]5[C@](OC(C)=O)([C@@H]([C@@H](OC)[C@H]23)[C@@H]14)[C@@H](O)[C@@H]6OC,C34H47NO11,pos_1_1proton1methanol,645.314911324,XFSBVAOIAHNAPC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum soongoricum,6131511.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum soongoricum'],6,3,7.5 131566,5734,55,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,XFSBVAOIAHNAPC-NPVHKAFCSA-N,"InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3/t19-,20-,21+,22-,23+,24+,25-,26-,27+,28-,29+,31+,32-,33+,34-/m1/s1",CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@@]34[C@@H]5C[C@@]6(O)[C@H](OC(=O)c7ccccc7)[C@@H]5[C@@](OC(C)=O)([C@@H]([C@H](OC)[C@H]23)[C@@H]14)[C@@H](O)[C@@H]6OC,C34H47NO11,pos_1_1proton1methanol,645.3149113239998,XFSBVAOIAHNAPC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum brunneum,413968.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum brunneum'],6,3,7.5 131567,5734,55,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,XFSBVAOIAHNAPC-XTHSEXKGSA-N,"InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3/t19-,20-,21+,22-,23+,24+,25-,26?,27+,28-,29+,31+,32-,33+,34-/m1/s1",CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@]34C1[C@H]([C@H](OC)[C@H]23)[C@]1(OC(C)=O)[C@H]2[C@@H](OC(=O)c3ccccc3)[C@](O)(C[C@H]24)[C@@H](OC)[C@@H]1O,C34H47NO11,pos_1_1proton1methanol,645.3149113239998,XFSBVAOIAHNAPC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum kusnezoffii,141633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum kusnezoffii'],6,3,7.5 131568,5734,55,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,XFSBVAOIAHNAPC-NPVHKAFCSA-N,"InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3/t19-,20-,21+,22-,23+,24+,25-,26-,27+,28-,29+,31+,32-,33+,34-/m1/s1",CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@@]34[C@@H]5C[C@@]6(O)[C@H](OC(=O)c7ccccc7)[C@@H]5[C@@](OC(C)=O)([C@@H]([C@H](OC)[C@H]23)[C@@H]14)[C@@H](O)[C@@H]6OC,C34H47NO11,pos_1_1proton1methanol,645.3149113239998,XFSBVAOIAHNAPC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum firmum,5737794.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum firmum'],6,3,7.5 131569,5734,55,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,XFSBVAOIAHNAPC-NPVHKAFCSA-N,"InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3/t19-,20-,21+,22-,23+,24+,25-,26-,27+,28-,29+,31+,32-,33+,34-/m1/s1",CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@@]34[C@@H]5C[C@@]6(O)[C@H](OC(=O)c7ccccc7)[C@@H]5[C@@](OC(C)=O)([C@@H]([C@H](OC)[C@H]23)[C@@H]14)[C@@H](O)[C@@H]6OC,C34H47NO11,pos_1_1proton1methanol,645.3149113239998,XFSBVAOIAHNAPC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum zigzag,5737818.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum zigzag'],6,3,7.5 131570,5734,55,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,XFSBVAOIAHNAPC-NPVHKAFCSA-N,"InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3/t19-,20-,21+,22-,23+,24+,25-,26-,27+,28-,29+,31+,32-,33+,34-/m1/s1",CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@@]34[C@@H]5C[C@@]6(O)[C@H](OC(=O)c7ccccc7)[C@@H]5[C@@](OC(C)=O)([C@@H]([C@H](OC)[C@H]23)[C@@H]14)[C@@H](O)[C@@H]6OC,C34H47NO11,pos_1_1proton1methanol,645.3149113239998,XFSBVAOIAHNAPC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum grossedentatum,5922991.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum grossedentatum'],6,3,7.5 131571,5734,55,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,XFSBVAOIAHNAPC-NPVHKAFCSA-N,"InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3/t19-,20-,21+,22-,23+,24+,25-,26-,27+,28-,29+,31+,32-,33+,34-/m1/s1",CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@@]34[C@@H]5C[C@@]6(O)[C@H](OC(=O)c7ccccc7)[C@@H]5[C@@](OC(C)=O)([C@@H]([C@H](OC)[C@H]23)[C@@H]14)[C@@H](O)[C@@H]6OC,C34H47NO11,pos_1_1proton1methanol,645.3149113239998,XFSBVAOIAHNAPC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum polyschistum,6131475.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum polyschistum'],6,3,7.5 131572,5734,55,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,XFSBVAOIAHNAPC-NPVHKAFCSA-N,"InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3/t19-,20-,21+,22-,23+,24+,25-,26-,27+,28-,29+,31+,32-,33+,34-/m1/s1",CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@@]34[C@@H]5C[C@@]6(O)[C@H](OC(=O)c7ccccc7)[C@@H]5[C@@](OC(C)=O)([C@@H]([C@H](OC)[C@H]23)[C@@H]14)[C@@H](O)[C@@H]6OC,C34H47NO11,pos_1_1proton1methanol,645.3149113239998,XFSBVAOIAHNAPC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum brachypodum,50012.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum brachypodum'],6,3,7.5 131573,5734,55,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,XFSBVAOIAHNAPC-XTHSEXKGSA-N,"InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3/t19-,20-,21+,22-,23+,24+,25-,26?,27+,28-,29+,31+,32-,33+,34-/m1/s1",CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@]34C1[C@H]([C@H](OC)[C@H]23)[C@]1(OC(C)=O)[C@H]2[C@@H](OC(=O)c3ccccc3)[C@](O)(C[C@H]24)[C@@H](OC)[C@@H]1O,C34H47NO11,pos_1_1proton1methanol,645.3149113239998,XFSBVAOIAHNAPC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum ferox,1014250.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum ferox'],6,3,7.5 131574,5734,55,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,XFSBVAOIAHNAPC-UHFFFAOYSA-N,"InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3",CCN1CC2(COC)C(O)CC(OC)C34C5CC6(O)C(OC)C(O)C(OC(C)=O)(C5C6OC(=O)c5ccccc5)C(C(OC)C23)C14,C34H47NO11,pos_1_1proton1methanol,645.3149113239998,XFSBVAOIAHNAPC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum carmichaeli,549536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum carmichaelii'],6,3,7.5 131575,5734,55,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,XFSBVAOIAHNAPC-QGLVITRHSA-N,"InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3/t19-,20+,21-,22+,23-,24+,25+,26+,27+,28-,29-,31-,32+,33-,34+/m0/s1",CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@@]34[C@@H]2[C@H](OC)[C@@H]([C@@H]13)[C@]1(OC(C)=O)[C@H]2[C@H](OC(=O)c3ccccc3)[C@](O)(C[C@@H]24)[C@@H](OC)[C@H]1O,C34H47NO11,pos_1_1proton1methanol,645.314911324,XFSBVAOIAHNAPC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Thalictrum minus,491705.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum minus'],6,3,7.5 131576,5734,55,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,HZQIKAUHRQRVMI-CGMWZCGWSA-N,"InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)14-20(37)27(43-5)33-19-13-32(40)28(45-30(39)18-11-9-8-10-12-18)21(19)34(46-17(2)36,26(38)29(32)44-6)22(25(33)35)23(42-4)24(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3/t19-,20+,21-,22+,23-,24-,25-,26+,27+,28-,29+,31+,32-,33+,34+/m1/s1",CCN1C[C@]2(COC)C[C@H](O)[C@H](OC)[C@@]34[C@@H]5C[C@@]6(O)[C@H](OC(=O)c7ccccc7)[C@@H]5[C@](OC(C)=O)([C@@H]([C@@H](OC)[C@H]23)[C@@H]14)[C@@H](O)[C@@H]6OC,C34H47NO11,pos_1_1proton1methanol,645.314911324,HZQIKAUHRQRVMI,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum karakolicum,44345.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum karakolicum'],6,3,7.5 131577,5734,55,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,XFSBVAOIAHNAPC-XTHSEXKGSA-N,"InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3/t19-,20-,21+,22-,23+,24+,25-,26?,27+,28-,29+,31+,32-,33+,34-/m1/s1",CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@]34C1[C@H]([C@H](OC)[C@H]23)[C@]1(OC(C)=O)[C@H]2[C@@H](OC(=O)c3ccccc3)[C@](O)(C[C@H]24)[C@@H](OC)[C@@H]1O,C34H47NO11,pos_1_1proton1methanol,645.3149113239998,XFSBVAOIAHNAPC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum flavum,44348.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum flavum'],6,3,7.5 131578,5734,55,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,FIAJCJWCEPHUJF-NPVHKAFCSA-N,"InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(45-17(2)36)13-21(42-4)33-19-14-32(39)28(46-30(38)18-11-9-8-10-12-18)22(19)34(40,27(37)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37,39-40H,7,13-16H2,1-6H3/t19-,20-,21+,22-,23+,24+,25-,26-,27+,28-,29+,31+,32-,33+,34-/m1/s1",CCN1C[C@@]2(COC)[C@H]3[C@@H](OC)[C@H]4[C@@H]1[C@]3([C@@H](OC)C[C@H]2OC(C)=O)[C@@H]1C[C@@]2(O)[C@H](OC(=O)c3ccccc3)[C@@H]1[C@]4(O)[C@@H](O)[C@@H]2OC,C34H47NO11,pos_1_1proton1methanol,645.314911324,FIAJCJWCEPHUJF,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum polyschistum,6131475.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum polyschistum'],6,3,7.5 131579,5734,55,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,XFSBVAOIAHNAPC-XTHSEXKGSA-N,"InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3/t19-,20-,21+,22-,23+,24+,25-,26?,27+,28-,29+,31+,32-,33+,34-/m1/s1",CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@]34C1[C@H]([C@H](OC)[C@H]23)[C@]1(OC(C)=O)[C@H]2[C@@H](OC(=O)c3ccccc3)[C@](O)(C[C@H]24)[C@@H](OC)[C@@H]1O,C34H47NO11,pos_1_1proton1methanol,645.3149113239998,XFSBVAOIAHNAPC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum volubile,549540.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum volubile'],6,3,7.5 131580,5734,55,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,XFSBVAOIAHNAPC-QGLVITRHSA-N,"InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3/t19-,20+,21-,22+,23-,24+,25+,26+,27+,28-,29-,31-,32+,33-,34+/m0/s1",CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@@]34[C@@H]2[C@H](OC)[C@@H]([C@@H]13)[C@]1(OC(C)=O)[C@H]2[C@H](OC(=O)c3ccccc3)[C@](O)(C[C@@H]24)[C@@H](OC)[C@H]1O,C34H47NO11,pos_1_1proton1methanol,645.314911324,XFSBVAOIAHNAPC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Thalictrum minus,491705.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum minus'],6,3,7.5 131581,5734,55,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,XFSBVAOIAHNAPC-XTHSEXKGSA-N,"InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3/t19-,20-,21+,22-,23+,24+,25-,26?,27+,28-,29+,31+,32-,33+,34-/m1/s1",CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@]34C1[C@H]([C@H](OC)[C@H]23)[C@]1(OC(C)=O)[C@H]2[C@@H](OC(=O)c3ccccc3)[C@](O)(C[C@H]24)[C@@H](OC)[C@@H]1O,C34H47NO11,pos_1_1proton1methanol,645.3149113239998,XFSBVAOIAHNAPC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum volubile,549540.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum volubile'],6,3,7.5 131582,5734,55,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,XFSBVAOIAHNAPC-XTHSEXKGSA-N,"InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3/t19-,20-,21+,22-,23+,24+,25-,26?,27+,28-,29+,31+,32-,33+,34-/m1/s1",CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@]34C1[C@H]([C@H](OC)[C@H]23)[C@]1(OC(C)=O)[C@H]2[C@@H](OC(=O)c3ccccc3)[C@](O)(C[C@H]24)[C@@H](OC)[C@@H]1O,C34H47NO11,pos_1_1proton1methanol,645.3149113239998,XFSBVAOIAHNAPC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum baicalense,1014257.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum baicalense'],6,3,7.5 131583,5734,55,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,XFSBVAOIAHNAPC-XTHSEXKGSA-N,"InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3/t19-,20-,21+,22-,23+,24+,25-,26?,27+,28-,29+,31+,32-,33+,34-/m1/s1",CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@]34C1[C@H]([C@H](OC)[C@H]23)[C@]1(OC(C)=O)[C@H]2[C@@H](OC(=O)c3ccccc3)[C@](O)(C[C@H]24)[C@@H](OC)[C@@H]1O,C34H47NO11,pos_1_1proton1methanol,645.3149113239998,XFSBVAOIAHNAPC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum soongaricum,5143682.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum soongaricum'],6,3,7.5 131584,5734,55,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,XFSBVAOIAHNAPC-XTHSEXKGSA-N,"InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3/t19-,20-,21+,22-,23+,24+,25-,26?,27+,28-,29+,31+,32-,33+,34-/m1/s1",CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@]34C1[C@H]([C@H](OC)[C@H]23)[C@]1(OC(C)=O)[C@H]2[C@@H](OC(=O)c3ccccc3)[C@](O)(C[C@H]24)[C@@H](OC)[C@@H]1O,C34H47NO11,pos_1_1proton1methanol,645.3149113239998,XFSBVAOIAHNAPC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum altaicum,6131341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum altaicum'],6,3,7.5 131585,5734,55,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,XFSBVAOIAHNAPC-XTHSEXKGSA-N,"InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3/t19-,20-,21+,22-,23+,24+,25-,26?,27+,28-,29+,31+,32-,33+,34-/m1/s1",CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@]34C1[C@H]([C@H](OC)[C@H]23)[C@]1(OC(C)=O)[C@H]2[C@@H](OC(=O)c3ccccc3)[C@](O)(C[C@H]24)[C@@H](OC)[C@@H]1O,C34H47NO11,pos_1_1proton1methanol,645.3149113239998,XFSBVAOIAHNAPC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum napellus,586780.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum napellus'],6,3,7.5 131586,5734,55,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,XFSBVAOIAHNAPC-XTHSEXKGSA-N,"InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3/t19-,20-,21+,22-,23+,24+,25-,26?,27+,28-,29+,31+,32-,33+,34-/m1/s1",CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@]34C1[C@H]([C@H](OC)[C@H]23)[C@]1(OC(C)=O)[C@H]2[C@@H](OC(=O)c3ccccc3)[C@](O)(C[C@H]24)[C@@H](OC)[C@@H]1O,C34H47NO11,pos_1_1proton1methanol,645.3149113239998,XFSBVAOIAHNAPC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum turczaninowii,1014257.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum baicalense'],6,3,7.5 131587,5734,55,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,XFSBVAOIAHNAPC-XTHSEXKGSA-N,"InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3/t19-,20-,21+,22-,23+,24+,25-,26?,27+,28-,29+,31+,32-,33+,34-/m1/s1",CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@]34C1[C@H]([C@H](OC)[C@H]23)[C@]1(OC(C)=O)[C@H]2[C@@H](OC(=O)c3ccccc3)[C@](O)(C[C@H]24)[C@@H](OC)[C@@H]1O,C34H47NO11,pos_1_1proton1methanol,645.3149113239998,XFSBVAOIAHNAPC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium sclerocladum,784176.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitella'],['Aconitella scleroclada'],6,3,7.5 131588,5734,55,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,XFSBVAOIAHNAPC-AYUVKHDASA-N,"InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3/t19-,20?,21+,22-,23+,24+,25-,26?,27+,28-,29+,31+,32+,33+,34-/m1/s1",CCN1C[C@]2(COC)C(O)C[C@H](OC)[C@]34C1[C@H]([C@H](OC)[C@H]23)[C@]1(OC(C)=O)[C@H]2[C@@H](OC(=O)c3ccccc3)[C@@](O)(C[C@H]24)[C@@H](OC)[C@@H]1O,C34H47NO11,pos_1_1proton1methanol,645.314911324,XFSBVAOIAHNAPC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum liangshanicum,111880.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum liangshanicum'],6,3,7.5 131589,5734,55,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,XFSBVAOIAHNAPC-XTHSEXKGSA-N,"InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3/t19-,20-,21+,22-,23+,24+,25-,26?,27+,28-,29+,31+,32-,33+,34-/m1/s1",CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@]34C1[C@H]([C@H](OC)[C@H]23)[C@]1(OC(C)=O)[C@H]2[C@@H](OC(=O)c3ccccc3)[C@](O)(C[C@H]24)[C@@H](OC)[C@@H]1O,C34H47NO11,pos_1_1proton1methanol,645.3149113239998,XFSBVAOIAHNAPC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum,756111.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Unknown'],6,3,7.5 131590,5734,55,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,XFSBVAOIAHNAPC-XTHSEXKGSA-N,"InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3/t19-,20-,21+,22-,23+,24+,25-,26?,27+,28-,29+,31+,32-,33+,34-/m1/s1",CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@]34C1[C@H]([C@H](OC)[C@H]23)[C@]1(OC(C)=O)[C@H]2[C@@H](OC(=O)c3ccccc3)[C@](O)(C[C@H]24)[C@@H](OC)[C@@H]1O,C34H47NO11,pos_1_1proton1methanol,645.3149113239998,XFSBVAOIAHNAPC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Gymnaconitum gymnandrum,511673.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Gymnaconitum'],['Gymnaconitum gymnandrum'],6,3,7.5 131591,5734,55,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,XFSBVAOIAHNAPC-NPVHKAFCSA-N,"InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3/t19-,20-,21+,22-,23+,24+,25-,26-,27+,28-,29+,31+,32-,33+,34-/m1/s1",CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@@]34[C@@H]5C[C@@]6(O)[C@H](OC(=O)c7ccccc7)[C@@H]5[C@@](OC(C)=O)([C@@H]([C@H](OC)[C@H]23)[C@@H]14)[C@@H](O)[C@@H]6OC,C34H47NO11,pos_1_1proton1methanol,645.3149113239998,XFSBVAOIAHNAPC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum japonicum,5511352.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum japonicum'],6,3,7.5 131592,5734,55,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,XFSBVAOIAHNAPC-XTHSEXKGSA-N,"InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3/t19-,20-,21+,22-,23+,24+,25-,26?,27+,28-,29+,31+,32-,33+,34-/m1/s1",CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@]34C1[C@H]([C@H](OC)[C@H]23)[C@]1(OC(C)=O)[C@H]2[C@@H](OC(=O)c3ccccc3)[C@](O)(C[C@H]24)[C@@H](OC)[C@@H]1O,C34H47NO11,pos_1_1proton1methanol,645.3149113239998,XFSBVAOIAHNAPC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum carmichaelii,549536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum carmichaelii'],6,3,7.5 131593,5734,55,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,XFSBVAOIAHNAPC-XTHSEXKGSA-N,"InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3/t19-,20-,21+,22-,23+,24+,25-,26?,27+,28-,29+,31+,32-,33+,34-/m1/s1",CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@]34C1[C@H]([C@H](OC)[C@H]23)[C@]1(OC(C)=O)[C@H]2[C@@H](OC(=O)c3ccccc3)[C@](O)(C[C@H]24)[C@@H](OC)[C@@H]1O,C34H47NO11,pos_1_1proton1methanol,645.3149113239998,XFSBVAOIAHNAPC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum henryi,5511349.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum henryi'],6,3,7.5 131594,5734,55,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,XFSBVAOIAHNAPC-XTHSEXKGSA-N,"InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3/t19-,20-,21+,22-,23+,24+,25-,26?,27+,28-,29+,31+,32-,33+,34-/m1/s1",CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@]34C1[C@H]([C@H](OC)[C@H]23)[C@]1(OC(C)=O)[C@H]2[C@@H](OC(=O)c3ccccc3)[C@](O)(C[C@H]24)[C@@H](OC)[C@@H]1O,C34H47NO11,pos_1_1proton1methanol,645.3149113239998,XFSBVAOIAHNAPC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum karakolicum,44345.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum karakolicum'],6,3,7.5 131595,5734,55,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,XFSBVAOIAHNAPC-XTHSEXKGSA-N,"InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3/t19-,20-,21+,22-,23+,24+,25-,26?,27+,28-,29+,31+,32-,33+,34-/m1/s1",CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@]34C1[C@H]([C@H](OC)[C@H]23)[C@]1(OC(C)=O)[C@H]2[C@@H](OC(=O)c3ccccc3)[C@](O)(C[C@H]24)[C@@H](OC)[C@@H]1O,C34H47NO11,pos_1_1proton1methanol,645.3149113239998,XFSBVAOIAHNAPC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum sungpanense,1042521.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum sungpanense'],6,3,7.5 131596,5734,55,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,XFSBVAOIAHNAPC-XTHSEXKGSA-N,"InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3/t19-,20-,21+,22-,23+,24+,25-,26?,27+,28-,29+,31+,32-,33+,34-/m1/s1",CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@]34C1[C@H]([C@H](OC)[C@H]23)[C@]1(OC(C)=O)[C@H]2[C@@H](OC(=O)c3ccccc3)[C@](O)(C[C@H]24)[C@@H](OC)[C@@H]1O,C34H47NO11,pos_1_1proton1methanol,645.3149113239998,XFSBVAOIAHNAPC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum anthora,14057.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum anthora'],6,3,7.5 131597,5734,55,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,XFSBVAOIAHNAPC-XTHSEXKGSA-N,"InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3/t19-,20-,21+,22-,23+,24+,25-,26?,27+,28-,29+,31+,32-,33+,34-/m1/s1",CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@]34C1[C@H]([C@H](OC)[C@H]23)[C@]1(OC(C)=O)[C@H]2[C@@H](OC(=O)c3ccccc3)[C@](O)(C[C@H]24)[C@@H](OC)[C@@H]1O,C34H47NO11,pos_1_1proton1methanol,645.3149113239998,XFSBVAOIAHNAPC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum flavum,44348.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum flavum'],6,3,7.5 131598,5734,55,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,XFSBVAOIAHNAPC-DTIGCWNHSA-N,"InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3/t19-,20-,21-,22-,23+,24+,25-,26-,27-,28+,29+,31+,32-,33+,34-/m1/s1",CCN1C[C@]2(COC)[C@H](O)C[C@@H](OC)[C@@]34[C@@H]5C[C@@]6(O)[C@@H](OC(=O)c7ccccc7)[C@@H]5[C@@](OC(C)=O)([C@@H]([C@H](OC)[C@H]23)[C@@H]14)[C@H](O)[C@@H]6OC,C34H47NO11,pos_1_1proton1methanol,645.314911324,XFSBVAOIAHNAPC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum chasmanthum,5737840.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum chasmanthum'],6,3,7.5 131599,5734,55,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,XFSBVAOIAHNAPC-UVNSTBNHSA-N,"InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3/t19-,20-,21+,22-,23+,24-,25-,26-,27+,28-,29+,31+,32-,33+,34+/m1/s1",CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@@]34[C@@H]5C[C@@]6(O)[C@H](OC(=O)c7ccccc7)[C@@H]5[C@](OC(C)=O)([C@@H]([C@@H](OC)[C@H]23)[C@@H]14)[C@@H](O)[C@@H]6OC,C34H47NO11,pos_1_1proton1methanol,645.314911324,XFSBVAOIAHNAPC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum soongoricum,6131511.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum soongoricum'],6,3,7.5 131600,5734,55,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,XFSBVAOIAHNAPC-NPVHKAFCSA-N,"InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3/t19-,20-,21+,22-,23+,24+,25-,26-,27+,28-,29+,31+,32-,33+,34-/m1/s1",CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@@]34[C@@H]5C[C@@]6(O)[C@H](OC(=O)c7ccccc7)[C@@H]5[C@@](OC(C)=O)([C@@H]([C@H](OC)[C@H]23)[C@@H]14)[C@@H](O)[C@@H]6OC,C34H47NO11,pos_1_1proton1methanol,645.3149113239998,XFSBVAOIAHNAPC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum brunneum,413968.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum brunneum'],6,3,7.5 131601,5734,55,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,XFSBVAOIAHNAPC-XTHSEXKGSA-N,"InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3/t19-,20-,21+,22-,23+,24+,25-,26?,27+,28-,29+,31+,32-,33+,34-/m1/s1",CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@]34C1[C@H]([C@H](OC)[C@H]23)[C@]1(OC(C)=O)[C@H]2[C@@H](OC(=O)c3ccccc3)[C@](O)(C[C@H]24)[C@@H](OC)[C@@H]1O,C34H47NO11,pos_1_1proton1methanol,645.3149113239998,XFSBVAOIAHNAPC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum kusnezoffii,141633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum kusnezoffii'],6,3,7.5 131602,5734,55,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,XFSBVAOIAHNAPC-NPVHKAFCSA-N,"InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3/t19-,20-,21+,22-,23+,24+,25-,26-,27+,28-,29+,31+,32-,33+,34-/m1/s1",CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@@]34[C@@H]5C[C@@]6(O)[C@H](OC(=O)c7ccccc7)[C@@H]5[C@@](OC(C)=O)([C@@H]([C@H](OC)[C@H]23)[C@@H]14)[C@@H](O)[C@@H]6OC,C34H47NO11,pos_1_1proton1methanol,645.3149113239998,XFSBVAOIAHNAPC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum firmum,5737794.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum firmum'],6,3,7.5 131603,5734,55,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,XFSBVAOIAHNAPC-NPVHKAFCSA-N,"InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3/t19-,20-,21+,22-,23+,24+,25-,26-,27+,28-,29+,31+,32-,33+,34-/m1/s1",CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@@]34[C@@H]5C[C@@]6(O)[C@H](OC(=O)c7ccccc7)[C@@H]5[C@@](OC(C)=O)([C@@H]([C@H](OC)[C@H]23)[C@@H]14)[C@@H](O)[C@@H]6OC,C34H47NO11,pos_1_1proton1methanol,645.3149113239998,XFSBVAOIAHNAPC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum zigzag,5737818.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum zigzag'],6,3,7.5 131604,5734,55,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,XFSBVAOIAHNAPC-NPVHKAFCSA-N,"InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3/t19-,20-,21+,22-,23+,24+,25-,26-,27+,28-,29+,31+,32-,33+,34-/m1/s1",CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@@]34[C@@H]5C[C@@]6(O)[C@H](OC(=O)c7ccccc7)[C@@H]5[C@@](OC(C)=O)([C@@H]([C@H](OC)[C@H]23)[C@@H]14)[C@@H](O)[C@@H]6OC,C34H47NO11,pos_1_1proton1methanol,645.3149113239998,XFSBVAOIAHNAPC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum grossedentatum,5922991.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum grossedentatum'],6,3,7.5 131605,5734,55,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,XFSBVAOIAHNAPC-NPVHKAFCSA-N,"InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3/t19-,20-,21+,22-,23+,24+,25-,26-,27+,28-,29+,31+,32-,33+,34-/m1/s1",CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@@]34[C@@H]5C[C@@]6(O)[C@H](OC(=O)c7ccccc7)[C@@H]5[C@@](OC(C)=O)([C@@H]([C@H](OC)[C@H]23)[C@@H]14)[C@@H](O)[C@@H]6OC,C34H47NO11,pos_1_1proton1methanol,645.3149113239998,XFSBVAOIAHNAPC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum polyschistum,6131475.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum polyschistum'],6,3,7.5 131606,5734,55,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,XFSBVAOIAHNAPC-NPVHKAFCSA-N,"InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3/t19-,20-,21+,22-,23+,24+,25-,26-,27+,28-,29+,31+,32-,33+,34-/m1/s1",CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@@]34[C@@H]5C[C@@]6(O)[C@H](OC(=O)c7ccccc7)[C@@H]5[C@@](OC(C)=O)([C@@H]([C@H](OC)[C@H]23)[C@@H]14)[C@@H](O)[C@@H]6OC,C34H47NO11,pos_1_1proton1methanol,645.3149113239998,XFSBVAOIAHNAPC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum brachypodum,50012.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum brachypodum'],6,3,7.5 131607,5734,55,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,XFSBVAOIAHNAPC-XTHSEXKGSA-N,"InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3/t19-,20-,21+,22-,23+,24+,25-,26?,27+,28-,29+,31+,32-,33+,34-/m1/s1",CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@]34C1[C@H]([C@H](OC)[C@H]23)[C@]1(OC(C)=O)[C@H]2[C@@H](OC(=O)c3ccccc3)[C@](O)(C[C@H]24)[C@@H](OC)[C@@H]1O,C34H47NO11,pos_1_1proton1methanol,645.3149113239998,XFSBVAOIAHNAPC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum ferox,1014250.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum ferox'],6,3,7.5 131608,5734,55,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,XFSBVAOIAHNAPC-UHFFFAOYSA-N,"InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3",CCN1CC2(COC)C(O)CC(OC)C34C5CC6(O)C(OC)C(O)C(OC(C)=O)(C5C6OC(=O)c5ccccc5)C(C(OC)C23)C14,C34H47NO11,pos_1_1proton1methanol,645.3149113239998,XFSBVAOIAHNAPC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum carmichaeli,549536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum carmichaelii'],6,3,7.5 131609,5734,55,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,XFSBVAOIAHNAPC-XTHSEXKGSA-N,"InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3/t19-,20-,21+,22-,23+,24+,25-,26?,27+,28-,29+,31+,32-,33+,34-/m1/s1",CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@]34C1[C@H]([C@H](OC)[C@H]23)[C@]1(OC(C)=O)[C@H]2[C@@H](OC(=O)c3ccccc3)[C@](O)(C[C@H]24)[C@@H](OC)[C@@H]1O,C34H47NO11,pos_1_1proton1methanol,645.3149113239998,XFSBVAOIAHNAPC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum confertiflorum,3944951.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum confertiflorum'],6,3,7.5 131610,5734,55,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,GGHMHFVQNSKFFD-NWVDYVGVSA-N,"InChI=1S/C34H47NO11/c1-7-35-15-30(16-42-3)19(46-17(2)36)13-20(43-4)33-26(30)24(44-5)22(27(33)35)34(41)25-21(23(37)18-11-9-8-10-12-18)31(39,14-32(25,33)40)29(45-6)28(34)38/h8-12,19-22,24-29,38-41H,7,13-16H2,1-6H3/t19-,20-,21+,22+,24+,25+,26-,27-,28+,29+,30+,31-,32+,33-,34+/m1/s1",CCN1C[C@@]2(COC)[C@H]3[C@@H](OC)[C@H]4[C@@H]1[C@]3([C@H](OC)C[C@H]2OC(C)=O)[C@]1(O)C[C@]2(O)[C@@H](OC)[C@H](O)[C@@]4(O)[C@H]1[C@@H]2C(=O)c1ccccc1,C34H47NO11,pos_1_1proton1methanol,645.314911324,GGHMHFVQNSKFFD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum polyschistum,6131475.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum polyschistum'],6,3,7.5 131546,5731,-1,,,,0.0,MS1_match,QRQAYVQOURYHFI-XHRCHVEDSA-N,"InChI=1S/C37H48N2O12/c1-7-38-17-33(51-31(43)20-10-8-9-11-22(20)39-25(41)14-18(2)30(39)42)13-12-24(48-5)36-28(33)29(49-6)37(46,32(36)38)35(45)16-23(47-4)21-15-34(36,44)27(35)26(21)50-19(3)40/h8-11,18,21,23-24,26-29,32,44-46H,7,12-17H2,1-6H3/t18-,21+,23-,24-,26-,27-,28+,29-,32-,33+,34-,35+,36+,37+/m0/s1",CCN1C[C@]2(OC(=O)c3ccccc3N3C(=O)C[C@H](C)C3=O)CC[C@H](OC)[C@@]34[C@@H]2[C@H](OC)[C@@](O)([C@@H]13)[C@@]1(O)C[C@H](OC)[C@H]2C[C@]4(O)[C@@H]1[C@H]2OC(C)=O,C37H48N2O12,pos_2_2proton,712.320724976,QRQAYVQOURYHFI,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium elatum,518362.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium elatum'],6,0,6.0 131547,5731,-1,,,,0.0,MS1_match,YNVHPKZOSKERBV-JEXDJHFJSA-N,"InChI=1S/C37H48N2O12/c1-18-13-24(41)39(31(18)43)22-10-8-7-9-19(22)32(44)51-16-34-12-11-23(46-2)35-21-14-20-26(47-3)25(21)37(50-6,29(42)27(20)48-4)36(45,30(49-5)28(34)35)33(35)38(15-34)17-40/h7-10,17-18,20-21,23,25-30,33,42,45H,11-16H2,1-6H3/t18?,20-,21+,23-,25+,26-,27+,28+,29+,30-,33-,34-,35-,36+,37-/m0/s1",CO[C@@H]1[C@H]2C[C@@H]3[C@H]([C@H]2OC)[C@](OC)([C@@H]1O)[C@@]1(O)[C@@H](OC)[C@@H]2[C@@]4(COC(=O)c5ccccc5N5C(=O)CC(C)C5=O)CC[C@H](OC)[C@@]32[C@@H]1N(C=O)C4,C37H48N2O12,pos_2_2proton,712.320724976,YNVHPKZOSKERBV,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium potaninii,699542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium potaninii'],6,0,6.0 131431,5729,-1,,,,0.0,MS1_match,YLRXAIKMLINXQY-ZDUSSCGKSA-O,"InChI=1S/C20H23NO4/c1-21(2)8-7-12-10-15(25-4)20(23)18-16(12)13(21)9-11-5-6-14(24-3)19(22)17(11)18/h5-6,10,13H,7-9H2,1-4H3,(H-,22,23)/p+1/t13-/m0/s1",COc1ccc2c(c1O)-c1c(O)c(OC)cc3c1[C@H](C2)[N+](C)(C)CC3,C20H24NO4+,pos_2_2proton1ammonium,342.1699846680899,YLRXAIKMLINXQY,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Clematis vitalba,756499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis vitalba'],8,0,8.0 131432,5729,-1,,,,0.0,MS1_match,YLRXAIKMLINXQY-ZDUSSCGKSA-O,"InChI=1S/C20H23NO4/c1-21(2)8-7-12-10-15(25-4)20(23)18-16(12)13(21)9-11-5-6-14(24-3)19(22)17(11)18/h5-6,10,13H,7-9H2,1-4H3,(H-,22,23)/p+1/t13-/m0/s1",COc1ccc2c(c1O)-c1c(O)c(OC)cc3c1[C@H](C2)[N+](C)(C)CC3,C20H24NO4+,pos_2_2proton1ammonium,342.1699846680899,YLRXAIKMLINXQY,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Clematis parviloba,5737758.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis parviloba'],8,0,8.0 131433,5729,-1,,,,0.0,MS1_match,YLRXAIKMLINXQY-ZDUSSCGKSA-O,"InChI=1S/C20H23NO4/c1-21(2)8-7-12-10-15(25-4)20(23)18-16(12)13(21)9-11-5-6-14(24-3)19(22)17(11)18/h5-6,10,13H,7-9H2,1-4H3,(H-,22,23)/p+1/t13-/m0/s1",COc1ccc2c(c1O)-c1c(O)c(OC)cc3c1[C@H](C2)[N+](C)(C)CC3,C20H24NO4+,pos_2_2proton1ammonium,342.1699846680899,YLRXAIKMLINXQY,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Clematis recta,972679.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis recta'],8,0,8.0 131427,5728,-1,,,,0.26176944,ISDB,OOTNKTPCQZXBMI-UHFFFAOYSA-N,"InChI=1S/C18H16O4/c1-4-11-7-13-10-15(22-18(13)17(8-11)21-3)12-5-6-14(19)16(9-12)20-2/h4-10,19H,1H2,2-3H3",C=Cc1cc(OC)c2oc(-c3ccc(O)c(OC)c3)cc2c1,C18H16O4,,296.10485899199995,OOTNKTPCQZXBMI,Shikimates and Phenylpropanoids,Lignans,,Litsea acutivena,18346.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea acutivena'],4,0,5.047077775001526 131426,5726,-1,,,,0.0,MS1_match,BBZHGTMNZHBJKP-KJOFTPIDSA-N,"InChI=1S/C29H42O10/c1-14-23(33)24(34)25(35)26(38-14)39-17-5-7-28(13-30)16(10-17)3-4-19-22(28)20(31)11-27(2)18(6-8-29(19,27)36)15-9-21(32)37-12-15/h9,13-14,16-20,22-26,31,33-36H,3-8,10-12H2,1-2H3/t14-,16-,17+,18-,19-,20-,22-,23+,24-,25-,26+,27-,28-,29+/m1/s1",C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C=O)[C@H](CC[C@@H]4[C@@H]3[C@H](O)C[C@]3(C)[C@@H](C5=CC(=O)OC5)CC[C@]43O)C2)[C@H](O)[C@H](O)[C@H]1O,C29H42O10,pos_2_2proton2acetonitrile,550.277797544,BBZHGTMNZHBJKP,Terpenoids,Steroids,Cardenolides,Crossopetalum gaumeri,1091453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Crossopetalum'],['Crossopetalum gaumeri'],6,0,6.0 131424,5722,520,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,ZHKYTTFZXBSTEE-UHFFFAOYSA-N,"InChI=1S/C10H18O4/c1-6(4-11)7-3-9(13)10(2,14)8(7)5-12/h7-9,11-14H,1,3-5H2,2H3",C=C(CO)C1CC(O)C(C)(O)C1CO,C10H18O4,pos_1_1proton1acetonitrile,202.120509056,ZHKYTTFZXBSTEE,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,2,7.0 131425,5722,520,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,ZHKYTTFZXBSTEE-KATARQTJSA-N,"InChI=1S/C10H18O4/c1-6(4-11)7-3-9(13)10(2,14)8(7)5-12/h7-9,11-14H,1,3-5H2,2H3/t7-,8+,9+,10+/m1/s1",C=C(CO)[C@H]1C[C@H](O)[C@@](C)(O)[C@H]1CO,C10H18O4,pos_1_1proton1acetonitrile,202.120509056,ZHKYTTFZXBSTEE,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia scabra,68239.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia scabra'],6,2,7.0 131346,5719,-1,,,,0.0,MS1_match,HHQJBWYXBWOFJY-UHFFFAOYSA-N,"InChI=1S/C30H46O3/c1-25(2)20-10-13-30(7)21(28(20,5)12-11-22(25)31)9-8-18-19-16-26(3)17-23(33-24(26)32)27(19,4)14-15-29(18,30)6/h8,19-23,31H,9-17H2,1-7H3",CC12CC(OC1=O)C1(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C1C2,C30H46O3,pos_1_1proton1methanol,454.344695332,HHQJBWYXBWOFJY,Terpenoids,Triterpenoids,Oleanane triterpenoids,Euonymus laxiflorus,310705.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus laxiflorus'],7,0,7.0 131347,5719,-1,,,,0.0,MS1_match,HHQJBWYXBWOFJY-YLXTXNMFSA-N,"InChI=1S/C30H46O3/c1-25(2)20-10-13-30(7)21(28(20,5)12-11-22(25)31)9-8-18-19-16-26(3)17-23(33-24(26)32)27(19,4)14-15-29(18,30)6/h8,19-23,31H,9-17H2,1-7H3/t19-,20-,21+,22-,23-,26-,27+,28-,29+,30+/m0/s1",CC1(C)[C@@H](O)CC[C@]2(C)[C@H]3CC=C4[C@@H]5C[C@@]6(C)C[C@H](OC6=O)[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12,C30H46O3,pos_1_1proton1methanol,454.3446953319999,HHQJBWYXBWOFJY,Terpenoids,Triterpenoids,Oleanane triterpenoids,Euonymus alatus,601141.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus alatus'],7,0,7.0 131348,5719,-1,,,,0.0,MS1_match,HHQJBWYXBWOFJY-UHFFFAOYSA-N,"InChI=1S/C30H46O3/c1-25(2)20-10-13-30(7)21(28(20,5)12-11-22(25)31)9-8-18-19-16-26(3)17-23(33-24(26)32)27(19,4)14-15-29(18,30)6/h8,19-23,31H,9-17H2,1-7H3",CC12CC(OC1=O)C1(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C1C2,C30H46O3,pos_1_1proton1methanol,454.344695332,HHQJBWYXBWOFJY,Terpenoids,Triterpenoids,Oleanane triterpenoids,Euonymus laxiflorus,310705.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus laxiflorus'],7,0,7.0 131349,5719,-1,,,,0.0,MS1_match,LAKBZOLMESAODV-BZFPBGGSSA-N,"InChI=1S/C31H50O4/c1-19(33)21-10-15-31(18-32)17-16-29(6)22(26(21)31)8-9-24-28(5)13-12-25(35-20(2)34)27(3,4)23(28)11-14-30(24,29)7/h21-26,32H,8-18H2,1-7H3/t21-,22+,23-,24+,25+,26+,28-,29+,30+,31+/m0/s1",CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@H]5[C@H](C(C)=O)CC[C@]5(CO)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C,C31H50O4,pos_1_1proton,486.37091007999993,LAKBZOLMESAODV,Terpenoids,Triterpenoids,Lupane triterpenoids,Euonymus carnosus,514583.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus carnosus'],7,0,7.0 131350,5719,-1,,,,0.0,MS1_match,QRNHQHNHLDEWOS-BZFPBGGSSA-N,"InChI=1S/C31H50O4/c1-19(32)21-10-15-31(18-35-20(2)33)17-16-29(6)22(26(21)31)8-9-24-28(5)13-12-25(34)27(3,4)23(28)11-14-30(24,29)7/h21-26,34H,8-18H2,1-7H3/t21-,22+,23-,24+,25+,26+,28-,29+,30+,31+/m0/s1",CC(=O)OC[C@]12CC[C@@H](C(C)=O)[C@@H]1[C@H]1CC[C@@H]3[C@@]4(C)CC[C@@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C31H50O4,pos_1_1proton,486.37091007999993,QRNHQHNHLDEWOS,Terpenoids,Triterpenoids,Lupane triterpenoids,Euonymus carnosus,514583.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus carnosus'],7,0,7.0 131351,5719,-1,,,,0.0,MS1_match,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,pos_1_1proton1methanol,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Euonymus revolutus,6092646.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus revolutus'],7,0,7.0 131352,5719,-1,,,,0.0,MS1_match,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,pos_1_1proton1methanol,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Euonymus revolutus,6092646.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus revolutus'],7,0,7.0 131353,5719,-1,,,,0.0,MS1_match,HHQJBWYXBWOFJY-YLXTXNMFSA-N,"InChI=1S/C30H46O3/c1-25(2)20-10-13-30(7)21(28(20,5)12-11-22(25)31)9-8-18-19-16-26(3)17-23(33-24(26)32)27(19,4)14-15-29(18,30)6/h8,19-23,31H,9-17H2,1-7H3/t19-,20-,21+,22-,23-,26-,27+,28-,29+,30+/m0/s1",CC1(C)[C@@H](O)CC[C@]2(C)[C@H]3CC=C4[C@@H]5C[C@@]6(C)C[C@H](OC6=O)[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12,C30H46O3,pos_1_1proton1methanol,454.3446953319999,HHQJBWYXBWOFJY,Terpenoids,Triterpenoids,Oleanane triterpenoids,Euonymus alatus,601141.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus alatus'],7,0,7.0 131344,5715,-1,,,,0.0,MS1_match,NZOONSXGDPBWBZ-HZMJLDKASA-N,"InChI=1S/C25H40O11/c1-12-9-14(26)10-24(3,4)25(12,33)8-7-13(2)35-23-22(32)21(31)20(30)17(36-23)11-34-16-6-5-15(27)18(28)19(16)29/h7-9,13,15-23,27-33H,5-6,10-11H2,1-4H3/b8-7+/t13-,15+,16-,17-,18+,19+,20-,21+,22-,23-,25-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO[C@@H]2CC[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C25H40O11,pos_1_sodium,516.2570621,NZOONSXGDPBWBZ,Terpenoids,Apocarotenoids,Megastigmanes,Lonicera gracilipes,920854.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera gracilipes'],7,0,7.0 131342,5714,-1,,,,0.6068234,ISDB,FGFHNMBIMRVWIW-FQBABPJXSA-N,"InChI=1S/C39H62O6/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-31(40)44-34-26(2)24-38-27(3)22-30-32(36(30,4)5)29(33(38)41)23-28-25-43-37(6,7)45-35(28)39(34,38)42/h23-24,27,29-30,32,34-35,42H,8-22,25H2,1-7H3/t27-,29+,30-,32+,34+,35-,38+,39-/m1/s1",CCCCCCCCCCCCCCCC(=O)O[C@H]1C(C)=C[C@]23C(=O)[C@@H](C=C4COC(C)(C)O[C@H]4[C@]12O)[C@H]1[C@@H](C[C@H]3C)C1(C)C,C39H62O6,,626.454639704,FGFHNMBIMRVWIW,Terpenoids,Diterpenoids,Ingenane diterpenoids,Euphorbia ebracteolata,591082.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia ebracteolata'],4,0,6.427293539047241 131341,5713,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.21767387,ISDB,,,,,,,VSEIDKRSJSYZRQ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.8706954717636108 131340,5709,-1,,,,0.0,MS1_match,HRGUSFBJBOKSML-UHFFFAOYSA-N,"InChI=1S/C17H14O7/c1-22-14-3-8(4-15(23-2)17(14)21)12-7-11(20)16-10(19)5-9(18)6-13(16)24-12/h3-7,18-19,21H,1-2H3",COc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc(OC)c1O,C17H14O7,pos_1_1proton1ammonium,330.073952788,HRGUSFBJBOKSML,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Valeriana laxiflora,844983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana laxiflora'],6,0,6.0 131328,5705,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.52985704,ISDB,BYDQKMZEOZVIJM-ZGCJARKRSA-N,"InChI=1S/C13H20/c1-5-6-9-12-11(2)8-7-10-13(12,3)4/h5-6,8-9H,7,10H2,1-4H3/b6-5-,12-9-",C/C=C\C=C1\C(C)=CCCC1(C)C,C13H20,,176.15650064,BYDQKMZEOZVIJM,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Passiflora edulis,183517.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Passifloraceae'],['Unknown'],['Passiflora'],['Passiflora edulis'],4,1,6.6194281578063965 131320,5702,122,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Iridoids monoterpenoids,0.0,MS1_match,ZHFDCOHUCIESBS-UHFFFAOYSA-N,"InChI=1S/C22H28O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h7-8,10,12,17,20-21H,6,9,11H2,1-5H3",CC(=O)OCC1=COC(OC(=O)C=C(C)C)C2C1=CC(OC(=O)CC(C)C)C21CO1,C22H28O8,pos_2_2proton2acetonitrile,420.178417856,ZHFDCOHUCIESBS,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,3,7.5 131321,5702,122,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Iridoids monoterpenoids,0.0,MS1_match,ZHFDCOHUCIESBS-KVJIRVJXSA-N,"InChI=1S/C22H28O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h7-8,10,12,17,20-21H,6,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)C=C(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H28O8,pos_2_2proton2acetonitrile,420.1784178559999,ZHFDCOHUCIESBS,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana sorbifolia,445623.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana sorbifolia'],6,3,7.5 131322,5702,122,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Iridoids monoterpenoids,0.0,MS1_match,ZHFDCOHUCIESBS-UHFFFAOYSA-N,"InChI=1S/C22H28O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h7-8,10,12,17,20-21H,6,9,11H2,1-5H3",CC(=O)OCC1=COC(OC(=O)C=C(C)C)C2C1=CC(OC(=O)CC(C)C)C21CO1,C22H28O8,pos_2_2proton2acetonitrile,420.178417856,ZHFDCOHUCIESBS,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,3,7.5 131323,5702,122,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Iridoids monoterpenoids,0.0,MS1_match,ZHFDCOHUCIESBS-KVJIRVJXSA-N,"InChI=1S/C22H28O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h7-8,10,12,17,20-21H,6,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)C=C(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H28O8,pos_2_2proton2acetonitrile,420.1784178559999,ZHFDCOHUCIESBS,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana sorbifolia,445623.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana sorbifolia'],6,3,7.5 131319,5698,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,YXWUKVNWHJHQJJ-MIWXEKCFSA-N,"InChI=1S/C20H30O12/c1-8-13(23)15(25)17(27)19(30-8)29-7-12-14(24)16(26)18(28)20(32-12)31-11-6-9(4-5-21)2-3-10(11)22/h2-3,6,8,12-28H,4-5,7H2,1H3/t8-,12+,13-,14+,15+,16-,17+,18+,19+,20+/m1/s1",C[C@H]1O[C@H](OC[C@@H]2O[C@H](Oc3cc(CCO)ccc3O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O,C20H30O12,pos_1_1potassium,462.1737264,YXWUKVNWHJHQJJ,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Clematis terniflora var. mandshurica,446556.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis terniflora'],8,1,8.5 130611,5696,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.45616907,ISDB,VEVKLOLYYQLRRV-UHFFFAOYSA-N,"InChI=1S/C30H48O/c1-19(2)20-11-15-27(5)21(20)12-17-29(7)23(27)9-10-24-28(6)16-14-25(31)26(3,4)22(28)13-18-30(24,29)8/h20-24H,1,9-18H2,2-8H3",C=C(C)C1CCC2(C)C1CCC1(C)C2CCC2C3(C)CCC(=O)C(C)(C)C3CCC21C,C30H48O,,424.3705161559999,VEVKLOLYYQLRRV,Terpenoids,Triterpenoids,Hopane and Moretane triterpenoids,Patrinia villosa,971855.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia villosa'],6,2,8.824676275253296 130605,5692,-1,,,,0.7127125,ISDB,NLJNYZLJCNVCNR-XJHXNNCMSA-N,"InChI=1S/C33H40O18/c1-10-19(36)22(39)25(42)31(45-10)48-15-8-16(35)18-17(9-15)49-29(13-4-6-14(34)7-5-13)30(21(18)38)51-33-27(44)24(41)28(12(3)47-33)50-32-26(43)23(40)20(37)11(2)46-32/h4-12,19-20,22-28,31-37,39-44H,1-3H3/t10-,11-,12-,19-,20-,22+,23+,24-,25+,26+,27+,28-,31-,32-,33-/m0/s1",C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@@H](C)[C@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H]4O)c(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@H](O)[C@H]1O,C33H40O18,,724.22146444,NLJNYZLJCNVCNR,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cassinopsis madagascariensis,717828.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Icacinales'],['Icacinaceae'],['Unknown'],['Cassinopsis'],['Cassinopsis madagascariensis'],4,0,6.8508501052856445 130584,5687,1263,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.690043,ISDB,LDQHURFLDDRWGZ-UHFFFAOYSA-N,"InChI=1S/C11H14O/c1-8(2)10-6-5-9(3)7-11(10)12-4/h5-7H,1H2,2-4H3",C=C(C)c1ccc(C)cc1OC,C11H14O,,162.104465068,LDQHURFLDDRWGZ,Terpenoids,Monoterpenoids,,Arnica montana,942734.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Madieae'],['Arnica'],['Arnica montana'],4,2,7.760171890258789 130585,5687,1263,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.690043,ISDB,LDQHURFLDDRWGZ-UHFFFAOYSA-N,"InChI=1S/C11H14O/c1-8(2)10-6-5-9(3)7-11(10)12-4/h5-7H,1H2,2-4H3",C=C(C)c1ccc(C)cc1OC,C11H14O,,162.104465068,LDQHURFLDDRWGZ,Terpenoids,Monoterpenoids,,Calea pilosa,7606941.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Neurolaeneae'],['Calea'],['Calea pilosa'],4,2,7.760171890258789 130581,5686,-1,,,,0.0,MS1_match,JLCCCJIGHPZGMX-LGKXIHMKSA-N,"InChI=1S/C65H106O32/c1-24-11-16-65(59(84)97-56-46(81)42(77)39(74)31(92-56)23-87-53-44(79)40(75)37(72)28(19-66)89-53)18-17-62(6)26(52(65)64(24,8)85)9-10-33-61(5)14-13-34(60(3,4)32(61)12-15-63(33,62)7)93-58-51(36(71)27(69)22-86-58)96-57-48(83)50(35(70)25(2)88-57)95-55-47(82)43(78)49(30(21-68)91-55)94-54-45(80)41(76)38(73)29(20-67)90-54/h9,24-25,27-58,66-83,85H,10-23H2,1-8H3/t24-,25+,27-,28-,29-,30-,31-,32+,33-,34+,35+,36-,37-,38-,39-,40+,41+,42+,43-,44-,45-,46-,47-,48-,49-,50-,51+,52-,53-,54+,55+,56+,57+,58+,61+,62-,63-,64-,65+/m1/s1",C[C@@H]1O[C@@H](O[C@@H]2[C@H](O[C@H]3CC[C@]4(C)[C@H]5CC=C6[C@H]7[C@](C(=O)O[C@@H]8O[C@H](CO[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@@H](O)[C@H](O)[C@H]8O)(CC[C@@H](C)[C@@]7(C)O)CC[C@@]6(C)[C@]5(C)CC[C@H]4C3(C)C)OC[C@@H](O)[C@H]2O)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H]1O,C65H106O32,pos_2_2sodium,1398.6667212319996,JLCCCJIGHPZGMX,Terpenoids,Triterpenoids,Oleanane triterpenoids,Scabiosa comosa,984352.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Scabiosa'],['Scabiosa comosa'],6,0,6.0 130582,5686,-1,,,,0.0,MS1_match,JLCCCJIGHPZGMX-LGKXIHMKSA-N,"InChI=1S/C65H106O32/c1-24-11-16-65(59(84)97-56-46(81)42(77)39(74)31(92-56)23-87-53-44(79)40(75)37(72)28(19-66)89-53)18-17-62(6)26(52(65)64(24,8)85)9-10-33-61(5)14-13-34(60(3,4)32(61)12-15-63(33,62)7)93-58-51(36(71)27(69)22-86-58)96-57-48(83)50(35(70)25(2)88-57)95-55-47(82)43(78)49(30(21-68)91-55)94-54-45(80)41(76)38(73)29(20-67)90-54/h9,24-25,27-58,66-83,85H,10-23H2,1-8H3/t24-,25+,27-,28-,29-,30-,31-,32+,33-,34+,35+,36-,37-,38-,39-,40+,41+,42+,43-,44-,45-,46-,47-,48-,49-,50-,51+,52-,53-,54+,55+,56+,57+,58+,61+,62-,63-,64-,65+/m1/s1",C[C@@H]1O[C@@H](O[C@@H]2[C@H](O[C@H]3CC[C@]4(C)[C@H]5CC=C6[C@H]7[C@](C(=O)O[C@@H]8O[C@H](CO[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@@H](O)[C@H](O)[C@H]8O)(CC[C@@H](C)[C@@]7(C)O)CC[C@@]6(C)[C@]5(C)CC[C@H]4C3(C)C)OC[C@@H](O)[C@H]2O)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H]1O,C65H106O32,pos_2_2sodium,1398.6667212319996,JLCCCJIGHPZGMX,Terpenoids,Triterpenoids,Oleanane triterpenoids,Scabiosa tschiliensis,589183.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Scabiosa'],['Scabiosa tschiliensis'],6,0,6.0 129768,5683,167,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.9082541,ISDB,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Patrinia rupestris,1035977.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia rupestris'],6,3,11.133016347885132 129762,5681,-1,,,,0.27499533,ISDB,BOOUTSYULZVFNI-JSOSOPNTSA-N,"InChI=1S/C20H28O6/c1-6-11(2)16(21)25-15-7-8-18(4)10-20(24)13(12(3)17(22)26-20)9-14(18)19(15,5)23/h6,14-15,23-24H,7-10H2,1-5H3/b11-6-/t14-,15+,18-,19+,20+/m1/s1",C/C=C(/C)C(=O)O[C@H]1CC[C@]2(C)C[C@]3(O)OC(=O)C(C)=C3C[C@H]2[C@]1(C)O,C20H28O6,,364.188588616,BOOUTSYULZVFNI,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Pluchea sagittalis,446137.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Pluchea'],['Pluchea sagittalis'],4,0,5.099981307983398 129728,5669,422,Terpenoids,Phenylpropanoids (C6-C3),Camphane monoterpenoids,0.0,MS1_match,GWTUHAXUUFROTF-AVXJPILUSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-16(15(23)24)6-11(19)14(22)12(20)7-16/h1-5,11-12,14,17-20,22H,6-7H2,(H,23,24)/b4-2+/t11-,12-,14?,16?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC1(C(=O)O)C[C@@H](O)C(O)[C@H](O)C1,C16H18O9,pos_1_1proton,354.0950821559999,GWTUHAXUUFROTF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],8,2,9.0 129729,5669,422,Terpenoids,Phenylpropanoids (C6-C3),Camphane monoterpenoids,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],8,2,9.0 129730,5669,422,Terpenoids,Phenylpropanoids (C6-C3),Camphane monoterpenoids,0.0,MS1_match,GWTUHAXUUFROTF-AVXJPILUSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-16(15(23)24)6-11(19)14(22)12(20)7-16/h1-5,11-12,14,17-20,22H,6-7H2,(H,23,24)/b4-2+/t11-,12-,14?,16?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC1(C(=O)O)C[C@@H](O)C(O)[C@H](O)C1,C16H18O9,pos_1_1proton,354.0950821559999,GWTUHAXUUFROTF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],8,2,9.0 129731,5669,422,Terpenoids,Phenylpropanoids (C6-C3),Camphane monoterpenoids,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],8,2,9.0 129732,5669,422,Terpenoids,Phenylpropanoids (C6-C3),Camphane monoterpenoids,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera macrantha,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],8,2,9.0 129733,5669,422,Terpenoids,Phenylpropanoids (C6-C3),Camphane monoterpenoids,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera macrantha,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],8,2,9.0 129567,5666,86,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.4438941,ISDB,VSJGJMKGNMDJCI-ZASXJUAOSA-N,"InChI=1S/C16H22O9/c1-2-7-8-3-4-22-14(21)9(8)6-23-15(7)25-16-13(20)12(19)11(18)10(5-17)24-16/h2,6-8,10-13,15-20H,1,3-5H2/t7-,8+,10-,11-,12+,13-,15+,16+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCC[C@H]21,C16H22O9,,358.126382284,VSJGJMKGNMDJCI,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],8,3,11.27557635307312 129568,5666,86,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.4438941,ISDB,VSJGJMKGNMDJCI-ZASXJUAOSA-N,"InChI=1S/C16H22O9/c1-2-7-8-3-4-22-14(21)9(8)6-23-15(7)25-16-13(20)12(19)11(18)10(5-17)24-16/h2,6-8,10-13,15-20H,1,3-5H2/t7-,8+,10-,11-,12+,13-,15+,16+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCC[C@H]21,C16H22O9,,358.126382284,VSJGJMKGNMDJCI,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera morrowii,484242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],8,3,11.27557635307312 129483,5662,362,Terpenoids,Monoterpenoids,Camphane monoterpenoids,0.24411465,ISDB,OCDWKDASQKOTIQ-UHFFFAOYSA-N,"InChI=1S/C16H28O7/c1-15-4-3-8(16(15,2)7-18)5-10(15)23-14-13(21)12(20)11(19)9(6-17)22-14/h8-14,17-21H,3-7H2,1-2H3",CC1(CO)C2CCC1(C)C(OC1OC(CO)C(O)C(O)C1O)C2,C16H28O7,,332.183503236,OCDWKDASQKOTIQ,Terpenoids,Monoterpenoids,Camphane monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,3,8.476458609104156 129481,5658,86,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.4631064,ISDB,NCHUIUBVZLLXAJ-DDKCOJEUSA-N,"InChI=1S/C26H40O12/c1-13(8-10-27)5-4-6-14(2)23(33)35-12-17-19(28)20(29)21(30)25(37-17)38-24-18-15(7-9-26(18,3)34)16(11-36-24)22(31)32/h6,11,13,15,17-21,24-25,27-30,34H,4-5,7-10,12H2,1-3H3,(H,31,32)/b14-6+/t13-,15+,17+,18+,19+,20-,21+,24-,25-,26-/m0/s1",C/C(=C\CC[C@H](C)CCO)C(=O)OC[C@H]1O[C@@H](O[C@@H]2OC=C(C(=O)O)[C@H]3CC[C@](C)(O)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C26H40O12,,544.25197672,NCHUIUBVZLLXAJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Vitex agnus-castus,988127.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Vitex'],['Vitex agnus-castus'],4,2,6.852425575256348 129480,5655,1,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,OEGZSLZSZBSXQC-PBSSREKVSA-N,"InChI=1S/C16H22O8/c1-7(2)12(18)23-14-11-15(19)5-10(22-9(4)17)16(11,20)6-21-13(24-14)8(15)3/h7,10-11,13-14,19-20H,3,5-6H2,1-2,4H3/t10-,11-,13+,14+,15-,16-/m0/s1",C=C1[C@@H]2OC[C@]3(O)[C@@H](OC(C)=O)C[C@@]1(O)[C@@H]3[C@H](OC(=O)C(C)C)O2,C16H22O8,pos_1_1proton1ammonium,342.131467664,OEGZSLZSZBSXQC,Terpenoids,Monoterpenoids,,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,2,7.0 129472,5654,390,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,0.0,MS1_match,GWCSSLSMGCFIFR-GWKPYITFSA-N,"InChI=1S/C20H20O6/c1-24-17-10-13(5-6-16(17)23)19-15(11-22)14-8-12(4-3-7-21)9-18(25-2)20(14)26-19/h3-10,15,19,22-23H,11H2,1-2H3/b4-3+/t15-,19+/m1/s1",COc1cc([C@@H]2Oc3c(OC)cc(/C=C/C=O)cc3[C@H]2CO)ccc1O,C20H20O6,pos_2MHNH3,356.12598835999995,GWCSSLSMGCFIFR,Shikimates and Phenylpropanoids,Lignans,Neolignans,Lonicera morrowii,484242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],7,2,8.0 129473,5654,390,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,0.0,MS1_match,GWCSSLSMGCFIFR-GWKPYITFSA-N,"InChI=1S/C20H20O6/c1-24-17-10-13(5-6-16(17)23)19-15(11-22)14-8-12(4-3-7-21)9-18(25-2)20(14)26-19/h3-10,15,19,22-23H,11H2,1-2H3/b4-3+/t15-,19+/m1/s1",COc1cc([C@@H]2Oc3c(OC)cc(/C=C/C=O)cc3[C@H]2CO)ccc1O,C20H20O6,pos_2MHNH3,356.12598835999995,GWCSSLSMGCFIFR,Shikimates and Phenylpropanoids,Lignans,Neolignans,Lonicera insularis,5746388.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera insularis'],7,2,8.0 129417,5653,86,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_1_1proton1methanol,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera microphylla,980075.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera microphylla'],7,0,7.0 129422,5653,86,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,BGWXCNUGXLABMC-UHFFFAOYSA-N,"InChI=1S/C10H12O4/c1-4-5-3-6(11)10(2)7(5)8(12)13-9(4)14-10/h5-7,9,11H,1,3H2,2H3",C=C1C2OC(=O)C3C1CC(O)C3(C)O2,C10H12O4,pos_1_1proton,196.073558864,BGWXCNUGXLABMC,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,2,7.0 129373,5650,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,RAYZRCGMIDUTKS-UHFFFAOYSA-N,"InChI=1S/C17H24O10/c1-3-7-8-4-11(23-2)26-15(22)9(8)6-24-16(7)27-17-14(21)13(20)12(19)10(5-18)25-17/h3,6-8,10-14,16-21H,1,4-5H2,2H3",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C2C(=O)OC(OC)CC21,C17H24O10,pos_2MNa,388.136946968,RAYZRCGMIDUTKS,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera macrantha,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 129374,5650,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,CSKKDSFETGLMSB-NRZPKYKESA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11-,12-,13+,14-,16+,17+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC=O,C17H24O10,pos_2MNa,388.1369469679999,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera korolkowii,692192.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera korolkowii'],7,3,8.5 129375,5650,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,CSKKDSFETGLMSB-NRZPKYKESA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11-,12-,13+,14-,16+,17+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC=O,C17H24O10,pos_2MNa,388.1369469679999,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera dioica,920862.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera dioica'],7,3,8.5 129376,5650,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,CSKKDSFETGLMSB-NRZPKYKESA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11-,12-,13+,14-,16+,17+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC=O,C17H24O10,pos_2MNa,388.1369469679999,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera tatarica,980069.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],7,3,8.5 129377,5650,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,CSKKDSFETGLMSB-QOMIBOLPSA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11-,12-,13+,14-,16+,17-/m1/s1",C=C[C@H]1[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC=O,C17H24O10,pos_2MNa,388.136946968,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera periclymenum,811893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera periclymenum'],7,3,8.5 129378,5650,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,CSKKDSFETGLMSB-UHFFFAOYSA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC=O,C17H24O10,pos_2MNa,388.1369469679999,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera morrowii,484242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],7,3,8.5 129379,5650,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,CSKKDSFETGLMSB-FUJZYWHJSA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11-,12-,13+,14-,16-,17+/m1/s1",C=C[C@H]1[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC=O,C17H24O10,pos_2MNa,388.136946968,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 129380,5650,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,CSKKDSFETGLMSB-NRZPKYKESA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11-,12-,13+,14-,16+,17+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC=O,C17H24O10,pos_2MNa,388.1369469679999,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],7,3,8.5 129381,5650,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,CSKKDSFETGLMSB-NRZPKYKESA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11-,12-,13+,14-,16+,17+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC=O,C17H24O10,pos_2MNa,388.1369469679999,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera dioica,920862.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera dioica'],7,3,8.5 129382,5650,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,CSKKDSFETGLMSB-NRZPKYKESA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11-,12-,13+,14-,16+,17+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC=O,C17H24O10,pos_2MNa,388.1369469679999,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera tatarica,980069.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],7,3,8.5 129383,5650,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,CSKKDSFETGLMSB-QOMIBOLPSA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11-,12-,13+,14-,16+,17-/m1/s1",C=C[C@H]1[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC=O,C17H24O10,pos_2MNa,388.136946968,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera periclymenum,811893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera periclymenum'],7,3,8.5 129384,5650,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,CSKKDSFETGLMSB-UHFFFAOYSA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC=O,C17H24O10,pos_2MNa,388.1369469679999,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera morrowii,484242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],7,3,8.5 129385,5650,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,CSKKDSFETGLMSB-FUJZYWHJSA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11-,12-,13+,14-,16-,17+/m1/s1",C=C[C@H]1[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC=O,C17H24O10,pos_2MNa,388.136946968,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 129386,5650,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,CSKKDSFETGLMSB-NRZPKYKESA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11-,12-,13+,14-,16+,17+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC=O,C17H24O10,pos_2MNa,388.1369469679999,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],7,3,8.5 129387,5650,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,CSKKDSFETGLMSB-NRZPKYKESA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11-,12-,13+,14-,16+,17+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC=O,C17H24O10,pos_2MNa,388.1369469679999,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera korolkowii,692192.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera korolkowii'],7,3,8.5 129389,5650,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,RAYZRCGMIDUTKS-UHFFFAOYSA-N,"InChI=1S/C17H24O10/c1-3-7-8-4-11(23-2)26-15(22)9(8)6-24-16(7)27-17-14(21)13(20)12(19)10(5-18)25-17/h3,6-8,10-14,16-21H,1,4-5H2,2H3",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C2C(=O)OC(OC)CC21,C17H24O10,pos_2MNa,388.136946968,RAYZRCGMIDUTKS,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera fulvotomentosa,650610.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera fulvotomentosa'],7,3,8.5 129390,5650,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,RAYZRCGMIDUTKS-UHFFFAOYSA-N,"InChI=1S/C17H24O10/c1-3-7-8-4-11(23-2)26-15(22)9(8)6-24-16(7)27-17-14(21)13(20)12(19)10(5-18)25-17/h3,6-8,10-14,16-21H,1,4-5H2,2H3",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C2C(=O)OC(OC)CC21,C17H24O10,pos_2MNa,388.136946968,RAYZRCGMIDUTKS,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera hypoglauca,235196.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera hypoglauca'],7,3,8.5 129391,5650,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,RAYZRCGMIDUTKS-UHFFFAOYSA-N,"InChI=1S/C17H24O10/c1-3-7-8-4-11(23-2)26-15(22)9(8)6-24-16(7)27-17-14(21)13(20)12(19)10(5-18)25-17/h3,6-8,10-14,16-21H,1,4-5H2,2H3",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C2C(=O)OC(OC)CC21,C17H24O10,pos_2MNa,388.136946968,RAYZRCGMIDUTKS,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera confusa,594829.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera confusa'],7,3,8.5 129392,5650,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,RAYZRCGMIDUTKS-RJFLBQOQSA-N,"InChI=1S/C17H24O10/c1-3-7-8-4-11(23-2)26-15(22)9(8)6-24-16(7)27-17-14(21)13(20)12(19)10(5-18)25-17/h3,6-8,10-14,16-21H,1,4-5H2,2H3/t7-,8+,10-,11+,12-,13+,14-,16+,17+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)O[C@H](OC)C[C@H]21,C17H24O10,pos_2MNa,388.1369469679999,RAYZRCGMIDUTKS,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 129393,5650,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,RAYZRCGMIDUTKS-UHFFFAOYSA-N,"InChI=1S/C17H24O10/c1-3-7-8-4-11(23-2)26-15(22)9(8)6-24-16(7)27-17-14(21)13(20)12(19)10(5-18)25-17/h3,6-8,10-14,16-21H,1,4-5H2,2H3",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C2C(=O)OC(OC)CC21,C17H24O10,pos_2MNa,388.136946968,RAYZRCGMIDUTKS,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera macrantha,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 129394,5650,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,RAYZRCGMIDUTKS-UHFFFAOYSA-N,"InChI=1S/C17H24O10/c1-3-7-8-4-11(23-2)26-15(22)9(8)6-24-16(7)27-17-14(21)13(20)12(19)10(5-18)25-17/h3,6-8,10-14,16-21H,1,4-5H2,2H3",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C2C(=O)OC(OC)CC21,C17H24O10,pos_2MNa,388.136946968,RAYZRCGMIDUTKS,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera fulvotomentosa,650610.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera fulvotomentosa'],7,3,8.5 129396,5650,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,RAYZRCGMIDUTKS-UHFFFAOYSA-N,"InChI=1S/C17H24O10/c1-3-7-8-4-11(23-2)26-15(22)9(8)6-24-16(7)27-17-14(21)13(20)12(19)10(5-18)25-17/h3,6-8,10-14,16-21H,1,4-5H2,2H3",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C2C(=O)OC(OC)CC21,C17H24O10,pos_2MNa,388.136946968,RAYZRCGMIDUTKS,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera hypoglauca,235196.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera hypoglauca'],7,3,8.5 129398,5650,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,RAYZRCGMIDUTKS-UHFFFAOYSA-N,"InChI=1S/C17H24O10/c1-3-7-8-4-11(23-2)26-15(22)9(8)6-24-16(7)27-17-14(21)13(20)12(19)10(5-18)25-17/h3,6-8,10-14,16-21H,1,4-5H2,2H3",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C2C(=O)OC(OC)CC21,C17H24O10,pos_2MNa,388.136946968,RAYZRCGMIDUTKS,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera confusa,594829.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera confusa'],7,3,8.5 129399,5650,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,RAYZRCGMIDUTKS-RJFLBQOQSA-N,"InChI=1S/C17H24O10/c1-3-7-8-4-11(23-2)26-15(22)9(8)6-24-16(7)27-17-14(21)13(20)12(19)10(5-18)25-17/h3,6-8,10-14,16-21H,1,4-5H2,2H3/t7-,8+,10-,11+,12-,13+,14-,16+,17+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)O[C@H](OC)C[C@H]21,C17H24O10,pos_2MNa,388.1369469679999,RAYZRCGMIDUTKS,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 129365,5649,-1,,,,0.6236931,ISDB,BHLLOBXLOWXZDQ-UHFFFAOYSA-N,"InChI=1S/C22H27NO7/c1-23-8-7-12-9-16-21(30-11-29-16)22(28-4)17(12)18(23)19(25)13-5-6-15(26-2)20(27-3)14(13)10-24/h5-6,9,18-19,24-25H,7-8,10-11H2,1-4H3",COc1ccc(C(O)C2c3c(cc4c(c3OC)OCO4)CCN2C)c(CO)c1OC,C22H27NO7,,417.178752204,BHLLOBXLOWXZDQ,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver orientale,171970.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver orientale'],4,0,6.494772434234619 129366,5649,-1,,,,0.6236931,ISDB,BHLLOBXLOWXZDQ-UHFFFAOYSA-N,"InChI=1S/C22H27NO7/c1-23-8-7-12-9-16-21(30-11-29-16)22(28-4)17(12)18(23)19(25)13-5-6-15(26-2)20(27-3)14(13)10-24/h5-6,9,18-19,24-25H,7-8,10-11H2,1-4H3",COc1ccc(C(O)C2c3c(cc4c(c3OC)OCO4)CCN2C)c(CO)c1OC,C22H27NO7,,417.178752204,BHLLOBXLOWXZDQ,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver pseudo-orientale,237513.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver pseudo-orientale'],4,0,6.494772434234619 129245,5646,-1,,,,0.7052351,ISDB,VWNLWIMAWQKPOV-KTKRTIGZSA-N,"InChI=1S/C19H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-14-18(20)16-19(21)15-17/h9-10,14-16,20-21H,2-8,11-13H2,1H3/b10-9-",CCCCCCCC/C=C\CCCc1cc(O)cc(O)c1,C19H30O2,,290.2245802,VWNLWIMAWQKPOV,Polyketides,Aromatic polyketides,Catechols with side chains,Lithraea molleoides,556811.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Anacardiaceae'],['Unknown'],['Lithrea'],['Lithrea molleoides'],4,0,6.8209404945373535 129244,5645,743,Shikimates and Phenylpropanoids,Diterpenoids,Abeoabietane diterpenoids,0.0,MS1_match,FPRGRROJPRIHJP-UHFFFAOYSA-N,"InChI=1S/C20H24O4/c1-9(2)11-7-13(21)19(5)17(15(11)23)20(6)14(22)8-12(10(3)4)16(24)18(19)20/h7-10,17-18H,1-6H3",CC(C)C1=CC(=O)C2(C)C(C1=O)C1(C)C(=O)C=C(C(C)C)C(=O)C21,C20H24O4,pos_2_2proton,328.167459248,FPRGRROJPRIHJP,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Nigella sativa,142360.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Nigelleae'],['Nigella'],['Nigella sativa'],6,3,7.5 129235,5643,509,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.35284725,ISDB,MDAUFUALHVJQPD-ZPMBBQANSA-N,"InChI=1S/C45H70O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,38-39,42-46,49-51H,3-4,9-10,15-16,21-22,27-37H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-/t38-,39+,42-,43-,44+,45+/m0/s1",CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC,C45H70O10,,770.49689844,MDAUFUALHVJQPD,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Heterosigma akashiwo,427257.0,['Eukaryota'],['Unknown'],['Unknown'],['Raphidophyceae'],['Unknown'],['Unknown'],['Unknown'],['Heterosigma'],['Heterosigma akashiwo'],1,3,3.9113889932632446 129236,5643,509,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.35284725,ISDB,MDAUFUALHVJQPD-BQBJNWOMSA-N,"InChI=1S/C45H70O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,38-39,42-46,49-51H,3-4,9-10,15-16,21-22,27-37H2,1-2H3/b7-5+,8-6+,13-11+,14-12+,19-17+,20-18+,25-23+,26-24+/t38-,39-,42+,43+,44-,45-/m1/s1",CC/C=C/C/C=C/C/C=C/C/C=C/CCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCC/C=C/C/C=C/C/C=C/C/C=C/CC,C45H70O10,,770.49689844,MDAUFUALHVJQPD,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Heterosigma,725550.0,['Eukaryota'],['Unknown'],['Unknown'],['Raphidophyceae'],['Unknown'],['Unknown'],['Unknown'],['Heterosigma'],['Unknown'],1,3,3.9113889932632446 129233,5642,-1,,,,0.36035657,ISDB,,,,,,,FIZJZWZJPTWTSY,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.4414262771606445 129232,5633,-1,,,,0.0,MS1_match,FPYKDTSNMCSLIB-ZHDNQQBJSA-O,"InChI=1S/C25H31NO12/c1-3-15-16(5-4-13-8-14(22(32)33)10-26(9-13)6-7-27)17(23(34)35-2)12-36-24(15)38-25-21(31)20(30)19(29)18(11-28)37-25/h3-5,8-10,12,15-16,18-21,24-25,27-31H,1,6-7,11H2,2H3/p+1/b5-4+/t15-,16+,18-,19-,20+,21-,24+,25+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1/C=C/c1cc(C(=O)O)c[n+](CCO)c1,C25H32NO12+,pos_1_1potassium,538.19190188409,FPYKDTSNMCSLIB,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 129231,5627,211,Terpenoids,Phenylpropanoids (C6-C3),Aristolane sesquiterpenoids,0.0,MS1_match,ANFCLBKOBMSSLU-FQLXRVMXSA-N,"InChI=1S/C37H36N2O7/c1-38-12-11-23-16-33(44-3)36-27-17-25-26(18-31(27)43-2)34(45-4)19-39(20-40)28(25)13-21-5-8-24(9-6-21)46-32-15-22(7-10-30(32)41)14-29(38)35(23)37(36)42/h5-10,15-20,28-29,41-42H,11-14H2,1-4H3/t28-,29-/m1/s1",COC1=CN(C=O)[C@@H]2Cc3ccc(cc3)Oc3cc(ccc3O)C[C@@H]3c4c(cc(OC)c(c4O)-c4cc2c1cc4OC)CCN3C,C37H36N2O7,pos_2_2proton2acetonitrile,620.252251492,ANFCLBKOBMSSLU,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Isopyrum thalictroides,949657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Isopyrum'],['Isopyrum thalictroides'],6,0,6.0 129222,5626,-1,,,,0.64859277,ISDB,,,,,,,ORDIPLSZZYDBSA,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.5943710803985596 129221,5625,325,Shikimates and Phenylpropanoids,Flavonoids,Iridoids monoterpenoids,0.0,MS1_match,QTZXVESWHBGRDB-MGHIWKHDSA-N,"InChI=1S/C32H42O18/c1-12-17(8-14-15(29(42)43)11-45-30(22(12)14)50-32-28(41)26(39)24(37)20(10-34)49-32)46-21(35)6-4-13-3-5-16(18(7-13)44-2)47-31-27(40)25(38)23(36)19(9-33)48-31/h3-7,11-12,14,17,19-20,22-28,30-34,36-41H,8-10H2,1-2H3,(H,42,43)/b6-4+/t12-,14-,17+,19+,20+,22+,23+,24+,25-,26-,27+,28+,30-,31-,32-/m0/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@H]3C(C(=O)O)=CO[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3[C@H]2C)ccc1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C32H42O18,pos_2_2sodium,714.237114504,QTZXVESWHBGRDB,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],8,3,9.5 129161,5623,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.83191943,ISDB,WHFHDVDXYKOSKI-UHFFFAOYSA-N,"InChI=1S/C10H12/c1-3-9-5-7-10(4-2)8-6-9/h3,5-8H,1,4H2,2H3",C=Cc1ccc(CC)cc1,C10H12,,132.093900384,WHFHDVDXYKOSKI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Magnolia kobus,664531.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia kobus'],4,0,7.3276777267456055 129145,5621,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.63999677,ISDB,RJLAJQDKXWWUNG-UHFFFAOYSA-N,"InChI=1S/C13H18O/c1-8-4-5-9(2)12-11(8)7-6-10(3)13(12)14/h4-5,10,13-14H,6-7H2,1-3H3",Cc1ccc(C)c2c1CCC(C)C2O,C13H18O,,190.135765196,RJLAJQDKXWWUNG,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],4,3,8.05998706817627 129093,5618,-1,,,,0.0,MS1_match,DFNZYFAJQPLJFI-UHFFFAOYSA-N,"InChI=1S/C10H9NO2/c1-2-7-5-11-6-9-8(7)3-4-13-10(9)12/h2,5-6H,1,3-4H2",C=Cc1cncc2c1CCOC2=O,C10H9NO2,pos_2MCH3CNNa,175.063328528,DFNZYFAJQPLJFI,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Dipsacus azureus,6061231.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Dipsacus'],['Dipsacus azureus'],6,0,6.0 129094,5618,-1,,,,0.0,MS1_match,DFNZYFAJQPLJFI-UHFFFAOYSA-N,"InChI=1S/C10H9NO2/c1-2-7-5-11-6-9-8(7)3-4-13-10(9)12/h2,5-6H,1,3-4H2",C=Cc1cncc2c1CCOC2=O,C10H9NO2,pos_2MCH3CNNa,175.063328528,DFNZYFAJQPLJFI,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Dipsacus dipsacoides,6061231.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Dipsacus'],['Dipsacus azureus'],6,0,6.0 129095,5618,-1,,,,0.0,MS1_match,DFNZYFAJQPLJFI-UHFFFAOYSA-N,"InChI=1S/C10H9NO2/c1-2-7-5-11-6-9-8(7)3-4-13-10(9)12/h2,5-6H,1,3-4H2",C=Cc1cncc2c1CCOC2=O,C10H9NO2,pos_2MCH3CNNa,175.063328528,DFNZYFAJQPLJFI,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Cephalaria procera,6061197.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Cephalaria'],['Cephalaria procera'],6,0,6.0 129096,5618,-1,,,,0.0,MS1_match,DFNZYFAJQPLJFI-UHFFFAOYSA-N,"InChI=1S/C10H9NO2/c1-2-7-5-11-6-9-8(7)3-4-13-10(9)12/h2,5-6H,1,3-4H2",C=Cc1cncc2c1CCOC2=O,C10H9NO2,pos_2MCH3CNNa,175.063328528,DFNZYFAJQPLJFI,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Cephalaria nachiczevanica,6061192.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Cephalaria'],['Cephalaria nachiczevanica'],6,0,6.0 129097,5618,-1,,,,0.0,MS1_match,DFNZYFAJQPLJFI-UHFFFAOYSA-N,"InChI=1S/C10H9NO2/c1-2-7-5-11-6-9-8(7)3-4-13-10(9)12/h2,5-6H,1,3-4H2",C=Cc1cncc2c1CCOC2=O,C10H9NO2,pos_2MCH3CNNa,175.063328528,DFNZYFAJQPLJFI,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Cephalaria kotschyi,6061197.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Cephalaria'],['Cephalaria procera'],6,0,6.0 129088,5616,-1,,,,0.0,MS1_match,ZDXPYRJPNDTMRX-VKHMYHEASA-N,"InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1",NC(=O)CC[C@H](N)C(=O)O,C5H10N2O3,pos_2MCH3CNNa,146.06914218,ZDXPYRJPNDTMRX,Amino acids and Peptides,Small peptides,Aminoacids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 129089,5616,-1,,,,0.0,MS1_match,QFVABPQXILXPJL-CONSDPRKSA-N,"InChI=1S/C40H46N2O7/c1-41-15-13-24-18-32(43-3)33(44-4)21-27(24)30(41)17-23-9-11-26(12-10-23)49-38-29-20-31-36-25(14-16-42(31)2)19-34(45-5)39(47-7)37(36)28(29)22-35(46-6)40(38)48-8/h9-12,18-19,21-22,30-31H,13-17,20H2,1-8H3/t30-,31-/m0/s1",COc1cc2c(cc1OC)[C@H](Cc1ccc(Oc3c4c(cc(OC)c3OC)-c3c(OC)c(OC)cc5c3[C@H](C4)N(C)CC5)cc1)N(C)CC2,C40H46N2O7,pos_2_2sodium,666.3305018120001,QFVABPQXILXPJL,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Thalictrum faberi,6133309.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum faberi'],6,0,6.0 129090,5616,-1,,,,0.0,MS1_match,QFVABPQXILXPJL-UHFFFAOYSA-N,"InChI=1S/C40H46N2O7/c1-41-15-13-24-18-32(43-3)33(44-4)21-27(24)30(41)17-23-9-11-26(12-10-23)49-38-29-20-31-36-25(14-16-42(31)2)19-34(45-5)39(47-7)37(36)28(29)22-35(46-6)40(38)48-8/h9-12,18-19,21-22,30-31H,13-17,20H2,1-8H3",COc1cc2c(cc1OC)C(Cc1ccc(Oc3c4c(cc(OC)c3OC)-c3c(OC)c(OC)cc5c3C(C4)N(C)CC5)cc1)N(C)CC2,C40H46N2O7,pos_2_2sodium,666.330501812,QFVABPQXILXPJL,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Thalictrum cultratum,583170.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum cultratum'],6,0,6.0 129091,5616,-1,,,,0.0,MS1_match,QFVABPQXILXPJL-CONSDPRKSA-N,"InChI=1S/C40H46N2O7/c1-41-15-13-24-18-32(43-3)33(44-4)21-27(24)30(41)17-23-9-11-26(12-10-23)49-38-29-20-31-36-25(14-16-42(31)2)19-34(45-5)39(47-7)37(36)28(29)22-35(46-6)40(38)48-8/h9-12,18-19,21-22,30-31H,13-17,20H2,1-8H3/t30-,31-/m0/s1",COc1cc2c(cc1OC)[C@H](Cc1ccc(Oc3c4c(cc(OC)c3OC)-c3c(OC)c(OC)cc5c3[C@H](C4)N(C)CC5)cc1)N(C)CC2,C40H46N2O7,pos_2_2sodium,666.3305018120001,QFVABPQXILXPJL,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Thalictrum faberi,6133309.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum faberi'],6,0,6.0 129092,5616,-1,,,,0.0,MS1_match,QFVABPQXILXPJL-UHFFFAOYSA-N,"InChI=1S/C40H46N2O7/c1-41-15-13-24-18-32(43-3)33(44-4)21-27(24)30(41)17-23-9-11-26(12-10-23)49-38-29-20-31-36-25(14-16-42(31)2)19-34(45-5)39(47-7)37(36)28(29)22-35(46-6)40(38)48-8/h9-12,18-19,21-22,30-31H,13-17,20H2,1-8H3",COc1cc2c(cc1OC)C(Cc1ccc(Oc3c4c(cc(OC)c3OC)-c3c(OC)c(OC)cc5c3C(C4)N(C)CC5)cc1)N(C)CC2,C40H46N2O7,pos_2_2sodium,666.330501812,QFVABPQXILXPJL,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Thalictrum cultratum,583170.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum cultratum'],6,0,6.0 129081,5615,61,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,0.2147464,ISDB,SHOQQSABOUVQLJ-UHFFFAOYSA-N,"InChI=1S/C14H12O6/c1-16-11-7-4-5-19-8(7)6-9-10(11)12(17-2)13(18-3)14(15)20-9/h4-6H,1-3H3",COc1c(OC)c2c(OC)c3ccoc3cc2oc1=O,C14H12O6,,276.063388104,SHOQQSABOUVQLJ,Shikimates and Phenylpropanoids,Coumarins,Furocoumarins,Halfordia kendack,800699.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Halfordia'],['Halfordia kendack'],4,2,5.858985602855682 129071,5609,-1,,,,0.0,MS1_match,QUBNLZCADIYAFW-XAMQMYJNSA-N,"InChI=1S/C35H56O8/c1-30(2)13-15-35(29(40)41)16-14-33(5)20(21(35)17-30)7-8-24-31(3)11-10-25(43-28-27(39)26(38)22(37)18-42-28)32(4,19-36)23(31)9-12-34(24,33)6/h7,21-28,36-39H,8-19H2,1-6H3,(H,40,41)/t21-,22+,23+,24+,25-,26+,27-,28-,31-,32-,33+,34+,35-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@@H](O)[C@@H](O)[C@@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C35H56O8,pos_1_sodium,604.397518752,QUBNLZCADIYAFW,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lonicera nigra,179065.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera nigra'],8,0,8.0 129072,5609,-1,,,,0.0,MS1_match,QUBNLZCADIYAFW-XAMQMYJNSA-N,"InChI=1S/C35H56O8/c1-30(2)13-15-35(29(40)41)16-14-33(5)20(21(35)17-30)7-8-24-31(3)11-10-25(43-28-27(39)26(38)22(37)18-42-28)32(4,19-36)23(31)9-12-34(24,33)6/h7,21-28,36-39H,8-19H2,1-6H3,(H,40,41)/t21-,22+,23+,24+,25-,26+,27-,28-,31-,32-,33+,34+,35-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@@H](O)[C@@H](O)[C@@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C35H56O8,pos_1_sodium,604.397518752,QUBNLZCADIYAFW,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lonicera nigra,179065.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera nigra'],8,0,8.0 129070,5607,-1,,,,0.0,MS1_match,VNDMFSADMLFAMF-UHFFFAOYSA-N,"InChI=1S/C22H29NO6/c1-10-6-21(19(28)29-4)13-5-12(10)15(25)14(21)17-22(13)8-11(24)7-20(2,9-23(17)3)16(22)18(26)27/h11-14,16-17,24H,1,5-9H2,2-4H3,(H,26,27)",C=C1CC2(C(=O)OC)C3C(=O)C1CC2C12CC(O)CC(C)(CN(C)C31)C2C(=O)O,C22H29NO6,pos_1_1proton1methanol,403.199487648,VNDMFSADMLFAMF,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum vilmorinianum,976183.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum vilmorinianum'],6,0,6.0 129062,5602,-1,,,,0.29082942,ISDB,CSTXPWMNQXGCDD-UHFFFAOYSA-N,"InChI=1S/C28H47NO2/c1-18(24-8-6-5-7-15-29(24)4)23-17-25(31)26-21-10-9-19-16-20(30)11-13-27(19,2)22(21)12-14-28(23,26)3/h9,18,20-26,30-31H,5-8,10-17H2,1-4H3",CC(C1CCCCCN1C)C1CC(O)C2C3CC=C4CC(O)CCC4(C)C3CCC12C,C28H47NO2,,429.360679744,CSTXPWMNQXGCDD,Terpenoids,Steroids,,Fritillaria walujewii,3966597.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Liliales'],['Liliaceae'],['Unknown'],['Fritillaria'],['Fritillaria walujewii'],4,0,5.163317680358887 129063,5602,-1,,,,0.29082942,ISDB,CSTXPWMNQXGCDD-UHFFFAOYSA-N,"InChI=1S/C28H47NO2/c1-18(24-8-6-5-7-15-29(24)4)23-17-25(31)26-21-10-9-19-16-20(30)11-13-27(19,2)22(21)12-14-28(23,26)3/h9,18,20-26,30-31H,5-8,10-17H2,1-4H3",CC(C1CCCCCN1C)C1CC(O)C2C3CC=C4CC(O)CCC4(C)C3CCC12C,C28H47NO2,,429.360679744,CSTXPWMNQXGCDD,Terpenoids,Steroids,,Fritillaria bucharica,3966587.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Liliales'],['Liliaceae'],['Unknown'],['Fritillaria'],['Fritillaria bucharica'],4,0,5.163317680358887 129060,5601,-1,,,,0.0,MS1_match,ZHKYTTFZXBSTEE-UHFFFAOYSA-N,"InChI=1S/C10H18O4/c1-6(4-11)7-3-9(13)10(2,14)8(7)5-12/h7-9,11-14H,1,3-5H2,2H3",C=C(CO)C1CC(O)C(C)(O)C1CO,C10H18O4,pos_2MNa,202.120509056,ZHKYTTFZXBSTEE,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,0,6.0 129061,5601,-1,,,,0.0,MS1_match,ZHKYTTFZXBSTEE-KATARQTJSA-N,"InChI=1S/C10H18O4/c1-6(4-11)7-3-9(13)10(2,14)8(7)5-12/h7-9,11-14H,1,3-5H2,2H3/t7-,8+,9+,10+/m1/s1",C=C(CO)[C@H]1C[C@H](O)[C@@](C)(O)[C@H]1CO,C10H18O4,pos_2MNa,202.120509056,ZHKYTTFZXBSTEE,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia scabra,68239.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia scabra'],6,0,6.0 129057,5599,-1,,,,0.0,MS1_match,XNFQUGPVHYJHHZ-PMCSWTMGSA-N,"InChI=1S/C20H29NO3/c1-9-5-19-4-3-11-18(2)6-10(22)7-20(11)16(19)15(24)12(9)14(23)13(19)17(20)21-8-18/h10-17,21-24H,1,3-8H2,2H3/t10-,11+,12-,13+,14+,15+,16+,17+,18-,19+,20-/m0/s1",C=C1C[C@]23CC[C@@H]4[C@]5(C)CN[C@@H]6[C@H]2[C@H](O)[C@H]1[C@@H](O)[C@H]3[C@@]64C[C@@H](O)C5,C20H29NO3,pos_1_1proton1methanol,331.214743788,XNFQUGPVHYJHHZ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium peregrinum,885398.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium peregrinum'],6,0,6.0 129058,5599,-1,,,,0.0,MS1_match,AIQHURFKXYCRCF-DFKOQAFRSA-N,"InChI=1S/C21H33NO4/c1-3-22-10-18(2)6-5-14(23)21-12-8-11-4-7-19(25,15(12)16(11)24)20(26,17(21)22)9-13(18)21/h11-17,23-26H,3-10H2,1-2H3/t11-,12+,13+,14-,15+,16-,17?,18-,19+,20+,21+/m0/s1",CCN1C[C@]2(C)CC[C@H](O)[C@]34C1[C@](O)(C[C@H]23)[C@@]1(O)CC[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C21H33NO4,pos_1_1proton,363.240958536,AIQHURFKXYCRCF,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium omeiense,699546.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium omeiense'],6,0,6.0 129059,5599,-1,,,,0.0,MS1_match,UMENVHXIPMXIRD-AKTDKUJDSA-N,"InChI=1S/C21H33NO4/c1-3-22-9-19(2)5-4-15(24)21-11-6-10-13(23)8-20(26,16(11)17(10)25)12(18(21)22)7-14(19)21/h10-18,23-26H,3-9H2,1-2H3/t10-,11-,12+,13+,14-,15+,16-,17+,18-,19+,20+,21-/m1/s1",CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6O)[C@@H](C[C@H]23)[C@@H]14,C21H33NO4,pos_1_1proton,363.2409585359999,UMENVHXIPMXIRD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum variegatum,586783.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum variegatum'],6,0,6.0 129056,5597,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,SNWJEAGXJFVRPD-CZIWMOKQSA-N,"InChI=1S/C25H40O9/c1-14(2)7-20(27)31-11-17-12-32-24(34-22(29)9-16(5)6)23-18(17)10-19(26)25(23,30)13-33-21(28)8-15(3)4/h12,14-16,18-19,23-24,26,30H,7-11,13H2,1-6H3/t18-,19+,23-,24+,25-/m1/s1",CC(C)CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2[C@@H]1C[C@H](O)[C@]2(O)COC(=O)CC(C)C,C25H40O9,pos_1_sodium,484.26723286,SNWJEAGXJFVRPD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia rupestris,1035977.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia rupestris'],6,3,7.5 129048,5595,-1,,,,0.2704201,ISDB,GIRSFGZJCQRVIO-LPVYMAFJSA-N,"InChI=1S/C25H36O5/c1-17(2)8-5-9-18(3)10-6-11-19(4)12-7-13-20-14-15-22(29-24(20)27)21-16-23(26)30-25(21)28/h8,10,12,14,16,22,24-25,27-28H,5-7,9,11,13,15H2,1-4H3/b18-10+,19-12-",CC(C)=CCC/C(C)=C/CC/C(C)=C\CCC1=CCC(C2=CC(=O)OC2O)OC1O,C25H36O5,,416.256274252,GIRSFGZJCQRVIO,Terpenoids,Sesterterpenoids,Linear sesterterpenoids,Hyrtios,102927.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Dictyoceratida'],['Thorectidae'],['Unknown'],['Hyrtios'],['Unknown'],1,0,2.081680417060852 129047,5590,100,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,JLFVPRCFSAWIRQ-XYGBCAHESA-N,"InChI=1S/C35H55ClO8/c1-17-14-19-26(30(4,5)36)44-35(43-19)25(17)31(6)12-13-34-16-33(34)11-10-22(42-27-24(39)23(38)18(37)15-41-27)29(2,3)20(33)8-9-21(34)32(31,7)28(35)40/h17-28,37-40H,8-16H2,1-7H3/t17-,18-,19-,20+,21+,22+,23+,24-,25-,26+,27+,28-,31-,32-,33-,34+,35+/m1/s1",C[C@@H]1C[C@H]2O[C@@]3(O[C@@H]2C(C)(C)Cl)[C@H](O)[C@@]2(C)[C@@H]4CC[C@H]5C(C)(C)[C@@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)CC[C@@]56C[C@@]46CC[C@]2(C)[C@@H]13,C35H55ClO8,pos_2_2proton,638.3585464,JLFVPRCFSAWIRQ,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Actaea racemosa,512702.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea racemosa'],6,2,7.0 129044,5588,65,Alkaloids,Lysine alkaloids,N-acyl amines,0.20771468,ISDB,LHFKHAVGGJJQFF-JRNWQWJGSA-N,"InChI=1S/C16H25NO2/c1-4-5-6-7-8-9-10-11-12-13-15(18)17-14-16(2,3)19/h4-9,12-13,19H,10-11,14H2,1-3H3,(H,17,18)/b5-4-,7-6+,9-8-,13-12+",C/C=C\C=C\C=C/CC/C=C/C(=O)NCC(C)(C)O,C16H25NO2,,263.18852904,LHFKHAVGGJJQFF,Fatty acids,Fatty amides,N-acyl amines,Zanthoxylum bungeanum,889918.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum bungeanum'],4,3,6.3308587074279785 129045,5588,65,Alkaloids,Lysine alkaloids,N-acyl amines,0.20771468,ISDB,LHFKHAVGGJJQFF-GUXLVXIJSA-N,"InChI=1S/C16H25NO2/c1-4-5-6-7-8-9-10-11-12-13-15(18)17-14-16(2,3)19/h4-9,12-13,19H,10-11,14H2,1-3H3,(H,17,18)/b5-4?,7-6+,9-8?,13-12?",CC=C/C=C/C=CCCC=CC(=O)NCC(C)(C)O,C16H25NO2,,263.18852904,LHFKHAVGGJJQFF,Fatty acids,Fatty amides,N-acyl amines,Zanthoxylum schinifolium,237365.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum schinifolium'],4,3,6.3308587074279785 129046,5588,65,Alkaloids,Lysine alkaloids,N-acyl amines,0.20771468,ISDB,LHFKHAVGGJJQFF-UMYNZBAMSA-N,"InChI=1S/C16H25NO2/c1-4-5-6-7-8-9-10-11-12-13-15(18)17-14-16(2,3)19/h4-9,12-13,19H,10-11,14H2,1-3H3,(H,17,18)/b5-4+,7-6+,9-8+,13-12+",C/C=C/C=C/C=C/CC/C=C/C(=O)NCC(C)(C)O,C16H25NO2,,263.18852904,LHFKHAVGGJJQFF,Fatty acids,Fatty amides,N-acyl amines,Zanthoxylum piperitum,164606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum piperitum'],4,3,6.3308587074279785 129040,5587,-1,,,,0.0,MS1_match,YPCIAFXRRZBUAF-AWNRREFMSA-N,"InChI=1S/C19H30O5/c1-10-7-15(22-11(2)20)17-14(10)8-13-9-16(23-12(3)21)19(17,6)24-18(13,4)5/h10,13-17H,7-9H2,1-6H3/t10-,13+,14-,15-,16+,17+,19-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C[C@H]3[C@@H]([C@H](OC(C)=O)C[C@H]3C)[C@]1(C)OC2(C)C,C19H30O5,pos_1_1proton1ammonium,338.20932406,YPCIAFXRRZBUAF,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 129041,5587,-1,,,,0.0,MS1_match,YPCIAFXRRZBUAF-AWNRREFMSA-N,"InChI=1S/C19H30O5/c1-10-7-15(22-11(2)20)17-14(10)8-13-9-16(23-12(3)21)19(17,6)24-18(13,4)5/h10,13-17H,7-9H2,1-6H3/t10-,13+,14-,15-,16+,17+,19-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C[C@H]3[C@@H]([C@H](OC(C)=O)C[C@H]3C)[C@]1(C)OC2(C)C,C19H30O5,pos_1_1proton1ammonium,338.20932406,YPCIAFXRRZBUAF,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Valeriana fauriei,228778.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana fauriei'],6,0,6.0 129042,5587,-1,,,,0.0,MS1_match,UVUBMUALYRCMQK-KJGIFLGISA-N,"InChI=1S/C19H30O5/c1-10-7-15(22-11(2)20)17-13(10)8-14-16(23-12(3)21)9-19(17,6)24-18(14,4)5/h10,13-17H,7-9H2,1-6H3/t10-,13-,14+,15-,16+,17+,19+/m1/s1",CC(=O)O[C@H]1C[C@]2(C)OC(C)(C)[C@H]1C[C@H]1[C@H]2[C@H](OC(C)=O)C[C@H]1C,C19H30O5,pos_1_1proton1ammonium,338.20932406,UVUBMUALYRCMQK,Terpenoids,Sesquiterpenoids,,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 129043,5587,-1,,,,0.0,MS1_match,UVUBMUALYRCMQK-KJGIFLGISA-N,"InChI=1S/C19H30O5/c1-10-7-15(22-11(2)20)17-13(10)8-14-16(23-12(3)21)9-19(17,6)24-18(14,4)5/h10,13-17H,7-9H2,1-6H3/t10-,13-,14+,15-,16+,17+,19+/m1/s1",CC(=O)O[C@H]1C[C@]2(C)OC(C)(C)[C@H]1C[C@H]1[C@H]2[C@H](OC(C)=O)C[C@H]1C,C19H30O5,pos_1_1proton1ammonium,338.20932406,UVUBMUALYRCMQK,Terpenoids,Sesquiterpenoids,,Valeriana fauriei,228778.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana fauriei'],6,0,6.0 129037,5577,-1,,,,0.2980617,ISDB,QGINILJTTLZGAD-ILOGMZITSA-N,"InChI=1S/C25H40O11/c1-13-8-15(27)9-24(3,4)16(13)7-6-14(2)34-23-21(32)22(20(31)17(12-26)35-23)36-19(30)11-25(5,33)10-18(28)29/h8,14,16-17,20-23,26,31-33H,6-7,9-12H2,1-5H3,(H,28,29)/t14-,16-,17-,20-,21-,22+,23-,25+/m1/s1",CC1=CC(=O)CC(C)(C)[C@@H]1CC[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](OC(=O)C[C@@](C)(O)CC(=O)O)[C@H]1O,C25H40O11,,516.2570621,QGINILJTTLZGAD,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Allium ampeloprasum,748378.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Allieae'],['Allium'],['Allium ampeloprasum'],4,0,5.192246794700623 129038,5577,-1,,,,0.2980617,ISDB,QGINILJTTLZGAD-ILOGMZITSA-N,"InChI=1S/C25H40O11/c1-13-8-15(27)9-24(3,4)16(13)7-6-14(2)34-23-21(32)22(20(31)17(12-26)35-23)36-19(30)11-25(5,33)10-18(28)29/h8,14,16-17,20-23,26,31-33H,6-7,9-12H2,1-5H3,(H,28,29)/t14-,16-,17-,20-,21-,22+,23-,25+/m1/s1",CC1=CC(=O)CC(C)(C)[C@@H]1CC[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](OC(=O)C[C@@](C)(O)CC(=O)O)[C@H]1O,C25H40O11,,516.2570621,QGINILJTTLZGAD,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Allium obliquum,34203.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Allieae'],['Allium'],['Allium obliquum'],4,0,5.192246794700623 129039,5577,-1,,,,0.2980617,ISDB,QGINILJTTLZGAD-ILOGMZITSA-N,"InChI=1S/C25H40O11/c1-13-8-15(27)9-24(3,4)16(13)7-6-14(2)34-23-21(32)22(20(31)17(12-26)35-23)36-19(30)11-25(5,33)10-18(28)29/h8,14,16-17,20-23,26,31-33H,6-7,9-12H2,1-5H3,(H,28,29)/t14-,16-,17-,20-,21-,22+,23-,25+/m1/s1",CC1=CC(=O)CC(C)(C)[C@@H]1CC[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](OC(=O)C[C@@](C)(O)CC(=O)O)[C@H]1O,C25H40O11,,516.2570621,QGINILJTTLZGAD,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Allium porrum,748378.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Allieae'],['Allium'],['Allium ampeloprasum'],4,0,5.192246794700623 129019,5576,-1,,,,0.0,MS1_match,JLXTZXSQSXGVTK-UHFFFAOYSA-N,"InChI=1S/C11H14N2O4/c1-7-4-5-8(12-10(14)16-2)9(6-7)13-11(15)17-3/h4-6H,1-3H3,(H,12,14)(H,13,15)",COC(=O)Nc1ccc(C)cc1NC(=O)OC,C11H14N2O4,pos_2MNa,238.095356928,JLXTZXSQSXGVTK,Amino acids and Peptides,Small peptides,Aminoacids,Delphinium cuneatum,753190.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium cuneatum'],6,0,6.0 129020,5576,-1,,,,0.0,MS1_match,AVGYGFTXSUAKEM-RWRFEADFSA-N,"InChI=1S/C41H47NO20/c1-18-25-10-12-42-14-26(25)35(49)55-16-37(7)27-28(56-20(3)44)32(58-22(5)46)40(17-54-19(2)43)33(59-23(6)47)29(60-34(48)24-11-13-53-15-24)31(61-36(50)38(18,8)51)39(9,52)41(40,62-37)30(27)57-21(4)45/h10-15,18,27-33,51-52H,16-17H2,1-9H3/t18-,27-,28-,29+,30-,31+,32-,33+,37+,38-,39?,40-,41+/m1/s1",CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3[C@@H](OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)c1cnccc1[C@@H](C)[C@@](C)(O)C(=O)O[C@@H]([C@H](OC(=O)c1ccoc1)[C@@H]2OC(C)=O)C4(C)O,C41H47NO20,pos_2_2proton3acetonitrile,873.269142904,AVGYGFTXSUAKEM,,,,Tripterygium hypoglaucum,906992.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium hypoglaucum'],6,0,6.0 129021,5576,-1,,,,0.0,MS1_match,AVGYGFTXSUAKEM-RWRFEADFSA-N,"InChI=1S/C41H47NO20/c1-18-25-10-12-42-14-26(25)35(49)55-16-37(7)27-28(56-20(3)44)32(58-22(5)46)40(17-54-19(2)43)33(59-23(6)47)29(60-34(48)24-11-13-53-15-24)31(61-36(50)38(18,8)51)39(9,52)41(40,62-37)30(27)57-21(4)45/h10-15,18,27-33,51-52H,16-17H2,1-9H3/t18-,27-,28-,29+,30-,31+,32-,33+,37+,38-,39?,40-,41+/m1/s1",CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3[C@@H](OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)c1cnccc1[C@@H](C)[C@@](C)(O)C(=O)O[C@@H]([C@H](OC(=O)c1ccoc1)[C@@H]2OC(C)=O)C4(C)O,C41H47NO20,pos_2_2proton3acetonitrile,873.269142904,AVGYGFTXSUAKEM,,,,Tripterygium wilfordii,300831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium wilfordii'],6,0,6.0 129022,5576,-1,,,,0.0,MS1_match,WLAFFGCMQBVKFL-BPAYHVMZSA-N,"InChI=1S/C41H47NO20/c1-18-24-12-13-42-15-25(24)34(48)55-16-37(7)27-28(56-20(3)44)32(59-23(6)47)40(17-54-19(2)43)33(60-35(49)26-11-10-14-53-26)29(57-21(4)45)31(61-36(50)38(18,8)51)39(9,52)41(40,62-37)30(27)58-22(5)46/h10-15,18,27-33,51-52H,16-17H2,1-9H3/t18-,27+,28-,29+,30-,31-,32+,33+,37+,38-,39-,40+,41-/m0/s1",CC(=O)OC[C@]12[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3[C@H](OC(C)=O)[C@@]14O[C@]3(C)COC(=O)c1cnccc1[C@H](C)[C@](C)(O)C(=O)O[C@@H]([C@@H](OC(C)=O)[C@H]2OC(=O)c1ccco1)[C@]4(C)O,C41H47NO20,pos_2_2proton3acetonitrile,873.269142904,WLAFFGCMQBVKFL,,,,Tripterygium hypoglaucum,906992.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium hypoglaucum'],6,0,6.0 129023,5576,-1,,,,0.0,MS1_match,WLAFFGCMQBVKFL-BPAYHVMZSA-N,"InChI=1S/C41H47NO20/c1-18-24-12-13-42-15-25(24)34(48)55-16-37(7)27-28(56-20(3)44)32(59-23(6)47)40(17-54-19(2)43)33(60-35(49)26-11-10-14-53-26)29(57-21(4)45)31(61-36(50)38(18,8)51)39(9,52)41(40,62-37)30(27)58-22(5)46/h10-15,18,27-33,51-52H,16-17H2,1-9H3/t18-,27+,28-,29+,30-,31-,32+,33+,37+,38-,39-,40+,41-/m0/s1",CC(=O)OC[C@]12[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3[C@H](OC(C)=O)[C@@]14O[C@]3(C)COC(=O)c1cnccc1[C@H](C)[C@](C)(O)C(=O)O[C@@H]([C@@H](OC(C)=O)[C@H]2OC(=O)c1ccco1)[C@]4(C)O,C41H47NO20,pos_2_2proton3acetonitrile,873.269142904,WLAFFGCMQBVKFL,,,,Tripterygium wilfordii,300831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium wilfordii'],6,0,6.0 129024,5576,-1,,,,0.0,MS1_match,JXQXTWWCCNHEQZ-UHFFFAOYSA-N,"InChI=1S/C41H47NO20/c1-18-24-12-13-42-15-25(24)34(48)55-16-37(7)27-28(56-20(3)44)32(58-22(5)46)40(17-54-19(2)43)33(59-23(6)47)29(60-35(49)26-11-10-14-53-26)31(61-36(50)38(18,8)51)39(9,52)41(40,62-37)30(27)57-21(4)45/h10-15,18,27-33,51-52H,16-17H2,1-9H3",CC(=O)OCC12C(OC(C)=O)C(OC(C)=O)C3C(OC(C)=O)C14OC3(C)COC(=O)c1cnccc1C(C)C(C)(O)C(=O)OC(C(OC(=O)c1ccco1)C2OC(C)=O)C4(C)O,C41H47NO20,pos_2_2proton3acetonitrile,873.2691429040001,JXQXTWWCCNHEQZ,,,,Tripterygium hypoglaucum,906992.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium hypoglaucum'],6,0,6.0 129025,5576,-1,,,,0.0,MS1_match,JXQXTWWCCNHEQZ-UHFFFAOYSA-N,"InChI=1S/C41H47NO20/c1-18-24-12-13-42-15-25(24)34(48)55-16-37(7)27-28(56-20(3)44)32(58-22(5)46)40(17-54-19(2)43)33(59-23(6)47)29(60-35(49)26-11-10-14-53-26)31(61-36(50)38(18,8)51)39(9,52)41(40,62-37)30(27)57-21(4)45/h10-15,18,27-33,51-52H,16-17H2,1-9H3",CC(=O)OCC12C(OC(C)=O)C(OC(C)=O)C3C(OC(C)=O)C14OC3(C)COC(=O)c1cnccc1C(C)C(C)(O)C(=O)OC(C(OC(=O)c1ccco1)C2OC(C)=O)C4(C)O,C41H47NO20,pos_2_2proton3acetonitrile,873.2691429040001,JXQXTWWCCNHEQZ,,,,Tripterygium wilfordii,300831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium wilfordii'],6,0,6.0 129026,5576,-1,,,,0.0,MS1_match,ZWMDSFIGEYLEIP-PEWXIWONSA-N,"InChI=1S/C41H47NO20/c1-18-24-12-13-42-15-25(24)34(48)54-16-37(7)27-28(56-19(2)43)32(59-22(5)46)40(17-55-35(49)26-11-10-14-53-26)33(60-23(6)47)29(57-20(3)44)31(61-36(50)38(18,8)51)39(9,52)41(40,62-37)30(27)58-21(4)45/h10-15,18,27-33,51-52H,16-17H2,1-9H3/t18?,27-,28-,29+,30-,31+,32-,33+,37+,38?,39+,40-,41+/m1/s1",CC(=O)O[C@@H]1[C@@H]2[C@@H](OC(C)=O)[C@@]34O[C@@]2(C)COC(=O)c2cnccc2C(C)C(C)(O)C(=O)O[C@@H]([C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]3(COC(=O)c2ccco2)[C@@H]1OC(C)=O)[C@]4(C)O,C41H47NO20,pos_2_2proton3acetonitrile,873.2691429040001,ZWMDSFIGEYLEIP,,,,Tripterygium wilfordii,300831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium wilfordii'],6,0,6.0 129027,5576,-1,,,,0.0,MS1_match,BGZMJSHSQVGXTE-MIFXYLFUSA-N,"InChI=1S/C41H47NO20/c1-19(43)54-18-40-32(58-22(4)46)28(56-20(2)44)27-30(57-21(3)45)41(40)39(8,52)31(29(33(40)59-23(5)47)60-35(49)26-12-10-16-53-26)61-36(50)37(6,51)14-13-25-24(11-9-15-42-25)34(48)55-17-38(27,7)62-41/h9-12,15-16,27-33,51-52H,13-14,17-18H2,1-8H3/t27-,28-,29+,30-,31+,32-,33+,37?,38+,39+,40-,41+/m1/s1",CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3[C@@H](OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1CCC(C)(O)C(=O)O[C@@H]([C@H](OC(=O)c1ccco1)[C@@H]2OC(C)=O)[C@]4(C)O,C41H47NO20,pos_2_2proton3acetonitrile,873.269142904,BGZMJSHSQVGXTE,,,,Tripterygium wilfordii,300831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium wilfordii'],6,0,6.0 129028,5576,-1,,,,0.0,MS1_match,SNHDYNFTVFWAHX-KTIRQYCASA-N,"InChI=1S/C41H47NO20/c1-18-25-10-12-42-14-26(25)35(49)54-16-37(7)27-28(56-19(2)43)32(59-22(5)46)40(17-55-34(48)24-11-13-53-15-24)33(60-23(6)47)29(57-20(3)44)31(61-36(50)38(18,8)51)39(9,52)41(40,62-37)30(27)58-21(4)45/h10-15,18,27-33,51-52H,16-17H2,1-9H3/t18-,27+,28+,29+,30-,31-,32+,33+,37+,38-,39+,40+,41-/m1/s1",CC(=O)O[C@H]1[C@H]2[C@@H](OC(C)=O)[C@]34O[C@@]2(C)COC(=O)c2cnccc2[C@@H](C)[C@@](C)(O)C(=O)O[C@H]([C@H](OC(C)=O)[C@H](OC(C)=O)[C@]3(COC(=O)c2ccoc2)[C@H]1OC(C)=O)[C@]4(C)O,C41H47NO20,pos_2_2proton3acetonitrile,873.269142904,SNHDYNFTVFWAHX,,,,Tripterygium hypoglaucum,906992.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium hypoglaucum'],6,0,6.0 129029,5576,-1,,,,0.0,MS1_match,SNHDYNFTVFWAHX-RWRFEADFSA-N,"InChI=1S/C41H47NO20/c1-18-25-10-12-42-14-26(25)35(49)54-16-37(7)27-28(56-19(2)43)32(59-22(5)46)40(17-55-34(48)24-11-13-53-15-24)33(60-23(6)47)29(57-20(3)44)31(61-36(50)38(18,8)51)39(9,52)41(40,62-37)30(27)58-21(4)45/h10-15,18,27-33,51-52H,16-17H2,1-9H3/t18-,27-,28-,29+,30-,31+,32-,33+,37+,38-,39?,40-,41+/m1/s1",CC(=O)O[C@@H]1[C@@H]2[C@@H](OC(C)=O)[C@@]34O[C@@]2(C)COC(=O)c2cnccc2[C@@H](C)[C@@](C)(O)C(=O)O[C@@H]([C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]3(COC(=O)c2ccoc2)[C@@H]1OC(C)=O)C4(C)O,C41H47NO20,pos_2_2proton3acetonitrile,873.269142904,SNHDYNFTVFWAHX,,,,Tripterygium wilfordii,300831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium wilfordii'],6,0,6.0 129030,5576,-1,,,,0.0,MS1_match,JOKOHWLSQAZHFX-MBJREJSGSA-N,"InChI=1S/C41H47NO20/c1-19(43)54-18-40-32(58-22(4)46)28(56-20(2)44)27-30(57-21(3)45)41(40)39(8,52)31(29(33(40)59-23(5)47)60-34(48)24-12-15-53-16-24)61-36(50)37(6,51)13-11-26-25(10-9-14-42-26)35(49)55-17-38(27,7)62-41/h9-10,12,14-16,27-33,51-52H,11,13,17-18H2,1-8H3/t27-,28?,29?,30?,31-,32?,33?,37-,38+,39+,40-,41+/m1/s1",CC(=O)OC[C@]12C(OC(C)=O)C(OC(C)=O)[C@@H]3C(OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1CC[C@@](C)(O)C(=O)O[C@H](C(OC(=O)c1ccoc1)C2OC(C)=O)[C@]4(C)O,C41H47NO20,pos_2_2proton3acetonitrile,873.269142904,JOKOHWLSQAZHFX,,,,Tripterygium hypoglaucum,906992.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium hypoglaucum'],6,0,6.0 129031,5576,-1,,,,0.0,MS1_match,JOKOHWLSQAZHFX-MBJREJSGSA-N,"InChI=1S/C41H47NO20/c1-19(43)54-18-40-32(58-22(4)46)28(56-20(2)44)27-30(57-21(3)45)41(40)39(8,52)31(29(33(40)59-23(5)47)60-34(48)24-12-15-53-16-24)61-36(50)37(6,51)13-11-26-25(10-9-14-42-26)35(49)55-17-38(27,7)62-41/h9-10,12,14-16,27-33,51-52H,11,13,17-18H2,1-8H3/t27-,28?,29?,30?,31-,32?,33?,37-,38+,39+,40-,41+/m1/s1",CC(=O)OC[C@]12C(OC(C)=O)C(OC(C)=O)[C@@H]3C(OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1CC[C@@](C)(O)C(=O)O[C@H](C(OC(=O)c1ccoc1)C2OC(C)=O)[C@]4(C)O,C41H47NO20,pos_2_2proton3acetonitrile,873.269142904,JOKOHWLSQAZHFX,,,,Tripterygium wilfordii,300831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium wilfordii'],6,0,6.0 129032,5576,-1,,,,0.0,MS1_match,UATKLEJGJXQCCG-CLYWGZERSA-N,"InChI=1S/C23H30O12/c1-23(30)8-13(25)11-5-6-32-21(16(11)23)35-22-19(28)18(27)17(26)15(34-22)9-33-20(29)10-3-4-12(24)14(7-10)31-2/h3-7,11,13,15-19,21-22,24-28,30H,8-9H2,1-2H3/t11-,13+,15+,16+,17+,18-,19+,21-,22-,23-/m0/s1",COc1cc(C(=O)OC[C@H]2O[C@@H](O[C@@H]3OC=C[C@@H]4[C@H]3[C@@](C)(O)C[C@H]4O)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O,C23H30O12,pos_1_1proton,498.1737264,UATKLEJGJXQCCG,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Monteverdia laevis,6092971.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Monteverdia'],['Monteverdia laevis'],6,0,6.0 129033,5576,-1,,,,0.0,MS1_match,PJAISAAYEQAVGA-YYFWYDPZSA-N,"InChI=1S/C23H30O12/c1-23(30)8-14(33-20(29)10-3-4-12(25)13(7-10)31-2)11-5-6-32-21(16(11)23)35-22-19(28)18(27)17(26)15(9-24)34-22/h3-7,11,14-19,21-22,24-28,30H,8-9H2,1-2H3/t11-,14+,15+,16+,17+,18-,19+,21-,22-,23-/m0/s1",COc1cc(C(=O)O[C@@H]2C[C@](C)(O)[C@H]3[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)OC=C[C@H]32)ccc1O,C23H30O12,pos_1_1proton,498.1737263999998,PJAISAAYEQAVGA,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Monteverdia laevis,6092971.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Monteverdia'],['Monteverdia laevis'],6,0,6.0 129034,5576,-1,,,,0.0,MS1_match,PJAISAAYEQAVGA-YYFWYDPZSA-N,"InChI=1S/C23H30O12/c1-23(30)8-14(33-20(29)10-3-4-12(25)13(7-10)31-2)11-5-6-32-21(16(11)23)35-22-19(28)18(27)17(26)15(9-24)34-22/h3-7,11,14-19,21-22,24-28,30H,8-9H2,1-2H3/t11-,14+,15+,16+,17+,18-,19+,21-,22-,23-/m0/s1",COc1cc(C(=O)O[C@@H]2C[C@](C)(O)[C@H]3[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)OC=C[C@H]32)ccc1O,C23H30O12,pos_1_1proton,498.1737263999998,PJAISAAYEQAVGA,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Monteverdia laevis,6092971.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Monteverdia'],['Monteverdia laevis'],6,0,6.0 129035,5576,-1,,,,0.0,MS1_match,ZCWPTLWVODLXTA-PLVBNVFYSA-N,"InChI=1S/C43H50N2O20/c1-20(46)57-19-42-34(61-23(4)49)30(59-21(2)47)29-32(60-22(3)48)43(42)41(8,56)33(31(35(42)62-24(5)50)63-36(52)25-12-13-28(51)45(9)17-25)64-38(54)39(6,55)15-14-27-26(11-10-16-44-27)37(53)58-18-40(29,7)65-43/h10-13,16-17,29-35,55-56H,14-15,18-19H2,1-9H3/t29-,30-,31+,32-,33+,34-,35+,39+,40+,41+,42-,43+/m1/s1",CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3[C@@H](OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1CC[C@](C)(O)C(=O)O[C@@H]([C@H](OC(=O)c1ccc(=O)n(C)c1)[C@@H]2OC(C)=O)[C@]4(C)O,C43H50N2O20,pos_2_2proton2acetonitrile,914.295692,ZCWPTLWVODLXTA,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Monteverdia retusa,7631457.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Monteverdia'],['Monteverdia retusa'],6,0,6.0 129036,5576,-1,,,,0.0,MS1_match,ZCWPTLWVODLXTA-UHFFFAOYSA-N,"InChI=1S/C43H50N2O20/c1-20(46)57-19-42-34(61-23(4)49)30(59-21(2)47)29-32(60-22(3)48)43(42)41(8,56)33(31(35(42)62-24(5)50)63-36(52)25-12-13-28(51)45(9)17-25)64-38(54)39(6,55)15-14-27-26(11-10-16-44-27)37(53)58-18-40(29,7)65-43/h10-13,16-17,29-35,55-56H,14-15,18-19H2,1-9H3",CC(=O)OCC12C(OC(C)=O)C(OC(C)=O)C3C(OC(C)=O)C14OC3(C)COC(=O)c1cccnc1CCC(C)(O)C(=O)OC(C(OC(=O)c1ccc(=O)n(C)c1)C2OC(C)=O)C4(C)O,C43H50N2O20,pos_2_2proton2acetonitrile,914.295692,ZCWPTLWVODLXTA,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Gymnosporia emarginata,35854.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Gymnosporia'],['Gymnosporia inermis'],6,0,6.0 128917,5573,477,Terpenoids,Apocarotenoids,Megastigmanes,0.504476,ISDB,HNZUNIKWNYHEJJ-FMIVXFBMSA-N,"InChI=1S/C13H22O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h7,9H,5-6,8,10H2,1-4H3/b12-9+",CC(=O)CC/C=C(\C)CCC=C(C)C,C13H22O,,194.167065324,HNZUNIKWNYHEJJ,Terpenoids,Apocarotenoids,Apocarotenoids (Ψ-),Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,2,10.017904043197632 128904,5566,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.5730057,ISDB,BYDQKMZEOZVIJM-ZGCJARKRSA-N,"InChI=1S/C13H20/c1-5-6-9-12-11(2)8-7-10-13(12,3)4/h5-6,8-9H,7,10H2,1-4H3/b6-5-,12-9-",C/C=C\C=C1\C(C)=CCCC1(C)C,C13H20,,176.15650064,BYDQKMZEOZVIJM,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Passiflora edulis,183517.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Passifloraceae'],['Unknown'],['Passiflora'],['Passiflora edulis'],4,1,6.792022705078125 128890,5559,1350,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,0.5746928,ISDB,HBZNVZIRJWODIB-NHCUFCNUSA-N,"InChI=1S/C39H74NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13,17-18,37H,3-10,12,14-16,19-36,40H2,1-2H3,(H,43,44)/b13-11-,18-17-/t37-/m1/s1",CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCCN,C39H74NO8P,,715.515204958,HBZNVZIRJWODIB,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,Vitis vinifera,756728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Vitales'],['Vitaceae'],['Viteae'],['Vitis'],['Vitis vinifera'],4,3,7.798771142959595 128891,5559,1350,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,0.5746928,ISDB,HBZNVZIRJWODIB-NHCUFCNUSA-N,"InChI=1S/C39H74NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13,17-18,37H,3-10,12,14-16,19-36,40H2,1-2H3,(H,43,44)/b13-11-,18-17-/t37-/m1/s1",CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCCN,C39H74NO8P,,715.515204958,HBZNVZIRJWODIB,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,Lycoris incarnata,992964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Unknown'],['Lycoris'],['Lycoris incarnata'],4,3,7.798771142959595 128834,5556,-1,,,,0.0,MS1_match,SBLZVJIHPWRSQQ-UHFFFAOYSA-N,"InChI=1S/C20H24O6/c1-24-17-10-13(5-6-16(17)23)19-15(11-22)14-8-12(4-3-7-21)9-18(25-2)20(14)26-19/h5-6,8-10,15,19,21-23H,3-4,7,11H2,1-2H3",COc1cc(C2Oc3c(OC)cc(CCCO)cc3C2CO)ccc1O,C20H24O6,pos_2_2proton2acetonitrile,360.15728848799995,SBLZVJIHPWRSQQ,Shikimates and Phenylpropanoids,Lignans,Neolignans,Clematis delavayi,72769.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis delavayi'],8,0,8.0 128835,5556,-1,,,,0.0,MS1_match,SBLZVJIHPWRSQQ-UHFFFAOYSA-N,"InChI=1S/C20H24O6/c1-24-17-10-13(5-6-16(17)23)19-15(11-22)14-8-12(4-3-7-21)9-18(25-2)20(14)26-19/h5-6,8-10,15,19,21-23H,3-4,7,11H2,1-2H3",COc1cc(C2Oc3c(OC)cc(CCCO)cc3C2CO)ccc1O,C20H24O6,pos_2_2proton2acetonitrile,360.15728848799995,SBLZVJIHPWRSQQ,Shikimates and Phenylpropanoids,Lignans,Neolignans,Clematis delavayi,72769.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis delavayi'],8,0,8.0 128819,5555,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.27813315,ISDB,HRSIPKSSEVRSPG-SECBINFHSA-N,"InChI=1S/C13H19NO2/c1-9-11-8-13(16-4)12(15-3)7-10(11)5-6-14(9)2/h7-9H,5-6H2,1-4H3/t9-/m1/s1",COc1cc2c(cc1OC)[C@@H](C)N(C)CC2,C13H19NO2,,221.141578848,HRSIPKSSEVRSPG,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Nandina domestica,297870.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Berberidaceae'],['Unknown'],['Nandina'],['Nandina domestica'],5,0,6.112532615661621 128792,5554,-1,,,,0.0,MS1_match,FJKROLUGYXJWQN-UHFFFAOYSA-N,"InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)",O=C(O)c1ccc(O)cc1,C7H6O3,pos_2MHNH3,138.031694052,FJKROLUGYXJWQN,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Lonicera microphylla,980075.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera microphylla'],7,0,7.0 128791,5553,344,Fatty acids,Fatty esters,Wax monoesters,0.0,MS1_match,WTTJVINHCBCLGX-UHFFFAOYSA-N,"InChI=1S/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h7-8,10-11H,3-6,9,12-18H2,1-2H3",CCCCCC=CCC=CCCCCCCCC(=O)OC,C19H34O2,pos_1_1proton1acetonitrile,294.255880328,WTTJVINHCBCLGX,Fatty acids,Fatty esters,Wax monoesters,Caltha palustris,387810.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Caltheae'],['Caltha'],['Caltha palustris'],6,3,7.5 128783,5551,-1,,,,0.0,MS1_match,FILRFEXGRQEKMM-ZYAMGDOSSA-N,"InChI=1S/C16H26O9/c1-6-7-3-10(16(2,22)14(7)23-5-8(6)18)25-15-13(21)12(20)11(19)9(4-17)24-15/h6-7,9-15,17,19-22H,3-5H2,1-2H3/t6-,7-,9-,10+,11-,12+,13-,14+,15+,16-/m1/s1",C[C@H]1C(=O)CO[C@H]2[C@@H]1C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@]2(C)O,C16H26O9,pos_1_1potassium,362.157682412,FILRFEXGRQEKMM,Terpenoids,Monoterpenoids,,Patrinia scabra,68239.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia scabra'],6,0,6.0 128784,5551,-1,,,,0.0,MS1_match,DPBCFTHDJGXWRI-ZYAMGDOSSA-N,"InChI=1S/C16H26O9/c1-6-7-3-10(19)16(2,14(7)23-5-8(6)18)25-15-13(22)12(21)11(20)9(4-17)24-15/h6-7,9-15,17,19-22H,3-5H2,1-2H3/t6-,7-,9-,10+,11-,12+,13-,14+,15+,16-/m1/s1",C[C@H]1C(=O)CO[C@H]2[C@@H]1C[C@H](O)[C@@]2(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H26O9,pos_1_1potassium,362.157682412,DPBCFTHDJGXWRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia scabra,68239.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia scabra'],6,0,6.0 128785,5551,-1,,,,0.0,MS1_match,DBLVGADGVDUSHJ-XBNYBDERSA-N,"InChI=1S/C16H26O9/c1-6-7-3-10(18)16(2,8(7)5-23-14(6)22)25-15-13(21)12(20)11(19)9(4-17)24-15/h6-13,15,17-21H,3-5H2,1-2H3/t6-,7-,8+,9-,10+,11-,12+,13-,15+,16+/m1/s1",C[C@H]1C(=O)OC[C@H]2[C@@H]1C[C@H](O)[C@@]2(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H26O9,pos_1_1potassium,362.157682412,DBLVGADGVDUSHJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia scabra,68239.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia scabra'],6,0,6.0 128786,5551,-1,,,,0.0,MS1_match,DBLVGADGVDUSHJ-RLIMOHGTSA-N,"InChI=1S/C16H26O9/c1-6-7-3-10(18)16(2,8(7)5-23-14(6)22)25-15-13(21)12(20)11(19)9(4-17)24-15/h6-13,15,17-21H,3-5H2,1-2H3/t6-,7+,8-,9-,10+,11-,12+,13-,15+,16+/m1/s1",C[C@H]1C(=O)OC[C@@H]2[C@H]1C[C@H](O)[C@@]2(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H26O9,pos_1_1potassium,362.157682412,DBLVGADGVDUSHJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia villosa,971855.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia villosa'],6,0,6.0 128787,5551,-1,,,,0.0,MS1_match,RAKWYUWXLTYDQR-LTPIHACHSA-N,"InChI=1S/C16H26O9/c1-6-7-2-10(8(3-17)9(7)5-23-15(6)22)24-16-14(21)13(20)12(19)11(4-18)25-16/h6-14,16-21H,2-5H2,1H3/t6-,7-,8-,9+,10+,11-,12-,13+,14-,16-/m1/s1",C[C@H]1C(=O)OC[C@@H]2[C@@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C[C@@H]21,C16H26O9,pos_1_1potassium,362.157682412,RAKWYUWXLTYDQR,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia gibbosa,231859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia gibbosa'],6,0,6.0 128788,5551,-1,,,,0.0,MS1_match,ZHEBCILICLSWEG-XBNYBDERSA-N,"InChI=1S/C16H26O9/c1-6-7-3-10(16(2,22)8(7)5-23-14(6)21)25-15-13(20)12(19)11(18)9(4-17)24-15/h6-13,15,17-20,22H,3-5H2,1-2H3/t6-,7-,8+,9-,10+,11-,12+,13-,15+,16+/m1/s1",C[C@H]1C(=O)OC[C@H]2[C@@H]1C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@]2(C)O,C16H26O9,pos_1_1potassium,362.15768241199993,ZHEBCILICLSWEG,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia scabra,68239.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia scabra'],6,0,6.0 128789,5551,-1,,,,0.0,MS1_match,ZHEBCILICLSWEG-XBNYBDERSA-N,"InChI=1S/C16H26O9/c1-6-7-3-10(16(2,22)8(7)5-23-14(6)21)25-15-13(20)12(19)11(18)9(4-17)24-15/h6-13,15,17-20,22H,3-5H2,1-2H3/t6-,7-,8+,9-,10+,11-,12+,13-,15+,16+/m1/s1",C[C@H]1C(=O)OC[C@H]2[C@@H]1C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@]2(C)O,C16H26O9,pos_1_1potassium,362.15768241199993,ZHEBCILICLSWEG,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia scabra,68239.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia scabra'],6,0,6.0 128769,5546,1127,Alkaloids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XTOKXEQMTBIOGT-AWEZNQCLSA-N,"InChI=1S/C21H25NO5/c1-22-7-6-12-17-14(22)8-11-9-15(24-2)16(25-3)10-13(11)18(17)19(23)21(27-5)20(12)26-4/h9-10,14,23H,6-8H2,1-5H3/t14-/m0/s1",COc1cc2c(cc1OC)-c1c(O)c(OC)c(OC)c3c1[C@H](C2)N(C)CC3,C21H25NO5,pos_1_1proton1dmso,371.1732729,XTOKXEQMTBIOGT,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Thalictrum fendleri,500543.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum fendleri'],6,1,6.5 128770,5546,1127,Alkaloids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XTOKXEQMTBIOGT-AWEZNQCLSA-N,"InChI=1S/C21H25NO5/c1-22-7-6-12-17-14(22)8-11-9-15(24-2)16(25-3)10-13(11)18(17)19(23)21(27-5)20(12)26-4/h9-10,14,23H,6-8H2,1-5H3/t14-/m0/s1",COc1cc2c(cc1OC)-c1c(O)c(OC)c(OC)c3c1[C@H](C2)N(C)CC3,C21H25NO5,pos_1_1proton1dmso,371.1732729,XTOKXEQMTBIOGT,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Thalictrum isopyroides,98291.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum isopyroides'],6,1,6.5 128771,5546,1127,Alkaloids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XTOKXEQMTBIOGT-AWEZNQCLSA-N,"InChI=1S/C21H25NO5/c1-22-7-6-12-17-14(22)8-11-9-15(24-2)16(25-3)10-13(11)18(17)19(23)21(27-5)20(12)26-4/h9-10,14,23H,6-8H2,1-5H3/t14-/m0/s1",COc1cc2c(cc1OC)-c1c(O)c(OC)c(OC)c3c1[C@H](C2)N(C)CC3,C21H25NO5,pos_1_1proton1dmso,371.1732729,XTOKXEQMTBIOGT,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Thalictrum flavum,250783.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum flavum'],6,1,6.5 128772,5546,1127,Alkaloids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XTOKXEQMTBIOGT-AWEZNQCLSA-N,"InChI=1S/C21H25NO5/c1-22-7-6-12-17-14(22)8-11-9-15(24-2)16(25-3)10-13(11)18(17)19(23)21(27-5)20(12)26-4/h9-10,14,23H,6-8H2,1-5H3/t14-/m0/s1",COc1cc2c(cc1OC)-c1c(O)c(OC)c(OC)c3c1[C@H](C2)N(C)CC3,C21H25NO5,pos_1_1proton1dmso,371.1732729,XTOKXEQMTBIOGT,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Thalictrum simplex,243507.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum simplex'],6,1,6.5 128773,5546,1127,Alkaloids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WHOVKGFICRPUBN-AWEZNQCLSA-N,"InChI=1S/C21H25NO5/c1-22-7-6-12-17-14(22)8-11-9-15(24-2)16(25-3)10-13(11)18(17)20(26-4)21(27-5)19(12)23/h9-10,14,23H,6-8H2,1-5H3/t14-/m0/s1",COc1cc2c(cc1OC)-c1c(OC)c(OC)c(O)c3c1[C@H](C2)N(C)CC3,C21H25NO5,pos_1_1proton1dmso,371.1732729,WHOVKGFICRPUBN,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Thalictrum baicalense,1045100.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum baicalense'],6,1,6.5 128774,5546,1127,Alkaloids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MSVBCAIBBCJRCV-ZDUSSCGKSA-N,"InChI=1S/C21H25NO5/c1-22-9-8-12-16-13(22)10-11-6-7-14(24-2)18(23)15(11)17(16)20(26-4)21(27-5)19(12)25-3/h6-7,13,23H,8-10H2,1-5H3/t13-/m0/s1",COc1ccc2c(c1O)-c1c(OC)c(OC)c(OC)c3c1[C@H](C2)N(C)CC3,C21H25NO5,pos_1_1proton1dmso,371.1732729,MSVBCAIBBCJRCV,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Thalictrum pedunculatum,6133358.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum pedunculatum'],6,1,6.5 128775,5546,1127,Alkaloids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MSVBCAIBBCJRCV-ZDUSSCGKSA-N,"InChI=1S/C21H25NO5/c1-22-9-8-12-16-13(22)10-11-6-7-14(24-2)18(23)15(11)17(16)20(26-4)21(27-5)19(12)25-3/h6-7,13,23H,8-10H2,1-5H3/t13-/m0/s1",COc1ccc2c(c1O)-c1c(OC)c(OC)c(OC)c3c1[C@H](C2)N(C)CC3,C21H25NO5,pos_1_1proton1dmso,371.1732729,MSVBCAIBBCJRCV,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Thalictrum tuberiferum,338809.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum tuberiferum'],6,1,6.5 128776,5546,1127,Alkaloids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NRVPTPWNYPSGNM-HDQOFMJGSA-N,"InChI=1S/C21H25NO5/c1-9-5-20-12-4-11(9)14(24)13(20)16-21(12)7-10(23)6-19(2,8-22(16)3)15(21)17(25)27-18(20)26/h11-16,24H,1,4-8H2,2-3H3/t11-,12+,13+,14-,15+,16-,19-,20+,21-/m0/s1",C=C1C[C@]23C(=O)OC(=O)[C@@H]4[C@@]5(C)CC(=O)C[C@@]46[C@H]([C@H]2[C@@H](O)[C@H]1C[C@H]36)N(C)C5,C21H25NO5,pos_1_1proton1dmso,371.1732729,NRVPTPWNYPSGNM,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium verdunense,142827.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium verdunense'],6,1,6.5 128777,5546,1127,Alkaloids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NRVPTPWNYPSGNM-PBNMYXCRSA-N,"InChI=1S/C21H25NO5/c1-9-5-20-12-4-11(9)14(24)13(20)16-21(12)7-10(23)6-19(2,8-22(16)3)15(21)17(25)27-18(20)26/h11-16,24H,1,4-8H2,2-3H3/t11-,12+,13+,14+,15+,16-,19-,20+,21+/m0/s1",C=C1C[C@]23C(=O)OC(=O)[C@@H]4[C@@]5(C)CC(=O)C[C@]46[C@H]([C@H]2[C@H](O)[C@H]1C[C@H]36)N(C)C5,C21H25NO5,pos_1_1proton1dmso,371.1732728999999,NRVPTPWNYPSGNM,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium halteratum,209854.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium halteratum'],6,1,6.5 128778,5546,1127,Alkaloids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NRVPTPWNYPSGNM-HDQOFMJGSA-N,"InChI=1S/C21H25NO5/c1-9-5-20-12-4-11(9)14(24)13(20)16-21(12)7-10(23)6-19(2,8-22(16)3)15(21)17(25)27-18(20)26/h11-16,24H,1,4-8H2,2-3H3/t11-,12+,13+,14-,15+,16-,19-,20+,21-/m0/s1",C=C1C[C@]23C(=O)OC(=O)[C@@H]4[C@@]5(C)CC(=O)C[C@@]46[C@H]([C@H]2[C@@H](O)[C@H]1C[C@H]36)N(C)C5,C21H25NO5,pos_1_1proton1dmso,371.1732729,NRVPTPWNYPSGNM,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium verdunense,142827.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium verdunense'],6,1,6.5 128779,5546,1127,Alkaloids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NRVPTPWNYPSGNM-PBNMYXCRSA-N,"InChI=1S/C21H25NO5/c1-9-5-20-12-4-11(9)14(24)13(20)16-21(12)7-10(23)6-19(2,8-22(16)3)15(21)17(25)27-18(20)26/h11-16,24H,1,4-8H2,2-3H3/t11-,12+,13+,14+,15+,16-,19-,20+,21+/m0/s1",C=C1C[C@]23C(=O)OC(=O)[C@@H]4[C@@]5(C)CC(=O)C[C@]46[C@H]([C@H]2[C@H](O)[C@H]1C[C@H]36)N(C)C5,C21H25NO5,pos_1_1proton1dmso,371.1732728999999,NRVPTPWNYPSGNM,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium halteratum,209854.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium halteratum'],6,1,6.5 128780,5546,1127,Alkaloids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QCMQEZNBBPGFKQ-CQSZACIVSA-N,"InChI=1S/C21H25NO5/c1-22-7-6-12-17-14(22)8-11-9-15(23)16(24-2)10-13(11)18(17)20(26-4)21(27-5)19(12)25-3/h9-10,14,23H,6-8H2,1-5H3/t14-/m1/s1",COc1cc2c(cc1O)C[C@@H]1c3c(c(OC)c(OC)c(OC)c3-2)CCN1C,C21H25NO5,pos_1_1proton1dmso,371.1732729,QCMQEZNBBPGFKQ,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Thalictrum isopyroides,98291.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum isopyroides'],6,1,6.5 128767,5543,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.31990507,ISDB,,,,,,,PPWODKDWYWFWSE,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.2796202898025513 128641,5541,-1,,,,0.59711283,ISDB,AVUHOKYBXFNEMN-JHRAIPKGSA-N,"InChI=1S/C16H26O3/c1-2-3-4-9-12-15(17)13-10-7-5-6-8-11-14-16(18)19/h3-4,7,9-10,12,15,17H,2,5-6,8,11,13-14H2,1H3,(H,18,19)/b4-3-,10-7-,12-9+/t15-/m0/s1",CC/C=C\C=C\[C@H](O)C/C=C\CCCCCC(=O)O,C16H26O3,,266.188194692,AVUHOKYBXFNEMN,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Elodea canadensis,1070307.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Alismatales'],['Hydrocharitaceae'],['Unknown'],['Elodea'],['Elodea canadensis'],4,0,6.388451337814331 128639,5538,-1,,,,0.0,MS1_match,MUMCCPUVOAUBAN-UHFFFAOYSA-N,"InChI=1S/C17H9NO3/c19-16-11-4-2-1-3-10(11)14-13-9(5-6-18-15(13)16)7-12-17(14)21-8-20-12/h1-7H,8H2",O=C1c2ccccc2-c2c3c(cc4ccnc1c24)OCO3,C17H9NO3,pos_1_1proton1ethylamine,275.05824314800003,MUMCCPUVOAUBAN,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Thalictrum javanicum,124737.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum javanicum'],6,0,6.0 128640,5538,-1,,,,0.0,MS1_match,MUMCCPUVOAUBAN-UHFFFAOYSA-N,"InChI=1S/C17H9NO3/c19-16-11-4-2-1-3-10(11)14-13-9(5-6-18-15(13)16)7-12-17(14)21-8-20-12/h1-7H,8H2",O=C1c2ccccc2-c2c3c(cc4ccnc1c24)OCO3,C17H9NO3,pos_1_1proton1ethylamine,275.05824314800003,MUMCCPUVOAUBAN,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Thalictrum sessile,124737.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum javanicum'],6,0,6.0 128630,5533,-1,,,,0.0,MS1_match,WRXVPTMENPZUIZ-MOVIZTNPSA-N,"InChI=1S/C33H40O19/c1-10-19(37)23(41)26(44)31(47-10)46-9-17-21(39)25(43)30(52-32-27(45)24(42)20(38)11(2)48-32)33(50-17)51-29-22(40)18-15(36)7-14(35)8-16(18)49-28(29)12-3-5-13(34)6-4-12/h3-8,10-11,17,19-21,23-27,30-39,41-45H,9H2,1-2H3/t10-,11-,17+,19-,20-,21-,23+,24+,25-,26+,27+,30+,31+,32-,33-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)[C@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C33H40O19,pos_1_sodium,740.21637906,WRXVPTMENPZUIZ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Monteverdia ilicifolia,433235.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Monteverdia'],['Monteverdia ilicifolia'],6,0,6.0 128631,5533,-1,,,,0.0,MS1_match,WRXVPTMENPZUIZ-UHFFFAOYSA-N,"InChI=1S/C33H40O19/c1-10-19(37)23(41)26(44)31(47-10)46-9-17-21(39)25(43)30(52-32-27(45)24(42)20(38)11(2)48-32)33(50-17)51-29-22(40)18-15(36)7-14(35)8-16(18)49-28(29)12-3-5-13(34)6-4-12/h3-8,10-11,17,19-21,23-27,30-39,41-45H,9H2,1-2H3",CC1OC(OCC2OC(Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O,C33H40O19,pos_1_sodium,740.21637906,WRXVPTMENPZUIZ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Monteverdia truncata,7054806.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Monteverdia'],['Monteverdia truncata'],6,0,6.0 128632,5533,-1,,,,0.0,MS1_match,WRXVPTMENPZUIZ-MOVIZTNPSA-N,"InChI=1S/C33H40O19/c1-10-19(37)23(41)26(44)31(47-10)46-9-17-21(39)25(43)30(52-32-27(45)24(42)20(38)11(2)48-32)33(50-17)51-29-22(40)18-15(36)7-14(35)8-16(18)49-28(29)12-3-5-13(34)6-4-12/h3-8,10-11,17,19-21,23-27,30-39,41-45H,9H2,1-2H3/t10-,11-,17+,19-,20-,21-,23+,24+,25-,26+,27+,30+,31+,32-,33-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)[C@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C33H40O19,pos_1_sodium,740.21637906,WRXVPTMENPZUIZ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Monteverdia aquifolium,1060183.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Monteverdia'],['Monteverdia aquifolia'],6,0,6.0 128633,5533,-1,,,,0.0,MS1_match,WRXVPTMENPZUIZ-MOVIZTNPSA-N,"InChI=1S/C33H40O19/c1-10-19(37)23(41)26(44)31(47-10)46-9-17-21(39)25(43)30(52-32-27(45)24(42)20(38)11(2)48-32)33(50-17)51-29-22(40)18-15(36)7-14(35)8-16(18)49-28(29)12-3-5-13(34)6-4-12/h3-8,10-11,17,19-21,23-27,30-39,41-45H,9H2,1-2H3/t10-,11-,17+,19-,20-,21-,23+,24+,25-,26+,27+,30+,31+,32-,33-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)[C@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C33H40O19,pos_1_sodium,740.21637906,WRXVPTMENPZUIZ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Monteverdia ilicifolia,433235.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Monteverdia'],['Monteverdia ilicifolia'],6,0,6.0 128634,5533,-1,,,,0.0,MS1_match,WRXVPTMENPZUIZ-UHFFFAOYSA-N,"InChI=1S/C33H40O19/c1-10-19(37)23(41)26(44)31(47-10)46-9-17-21(39)25(43)30(52-32-27(45)24(42)20(38)11(2)48-32)33(50-17)51-29-22(40)18-15(36)7-14(35)8-16(18)49-28(29)12-3-5-13(34)6-4-12/h3-8,10-11,17,19-21,23-27,30-39,41-45H,9H2,1-2H3",CC1OC(OCC2OC(Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O,C33H40O19,pos_1_sodium,740.21637906,WRXVPTMENPZUIZ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Monteverdia truncata,7054806.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Monteverdia'],['Monteverdia truncata'],6,0,6.0 128635,5533,-1,,,,0.0,MS1_match,WRXVPTMENPZUIZ-MOVIZTNPSA-N,"InChI=1S/C33H40O19/c1-10-19(37)23(41)26(44)31(47-10)46-9-17-21(39)25(43)30(52-32-27(45)24(42)20(38)11(2)48-32)33(50-17)51-29-22(40)18-15(36)7-14(35)8-16(18)49-28(29)12-3-5-13(34)6-4-12/h3-8,10-11,17,19-21,23-27,30-39,41-45H,9H2,1-2H3/t10-,11-,17+,19-,20-,21-,23+,24+,25-,26+,27+,30+,31+,32-,33-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)[C@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C33H40O19,pos_1_sodium,740.21637906,WRXVPTMENPZUIZ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Monteverdia aquifolium,1060183.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Monteverdia'],['Monteverdia aquifolia'],6,0,6.0 128636,5533,-1,,,,0.0,MS1_match,WRXVPTMENPZUIZ-MOVIZTNPSA-N,"InChI=1S/C33H40O19/c1-10-19(37)23(41)26(44)31(47-10)46-9-17-21(39)25(43)30(52-32-27(45)24(42)20(38)11(2)48-32)33(50-17)51-29-22(40)18-15(36)7-14(35)8-16(18)49-28(29)12-3-5-13(34)6-4-12/h3-8,10-11,17,19-21,23-27,30-39,41-45H,9H2,1-2H3/t10-,11-,17+,19-,20-,21-,23+,24+,25-,26+,27+,30+,31+,32-,33-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)[C@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C33H40O19,pos_1_sodium,740.21637906,WRXVPTMENPZUIZ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Monteverdia ilicifolia,433235.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Monteverdia'],['Monteverdia ilicifolia'],6,0,6.0 128637,5533,-1,,,,0.0,MS1_match,WRXVPTMENPZUIZ-UHFFFAOYSA-N,"InChI=1S/C33H40O19/c1-10-19(37)23(41)26(44)31(47-10)46-9-17-21(39)25(43)30(52-32-27(45)24(42)20(38)11(2)48-32)33(50-17)51-29-22(40)18-15(36)7-14(35)8-16(18)49-28(29)12-3-5-13(34)6-4-12/h3-8,10-11,17,19-21,23-27,30-39,41-45H,9H2,1-2H3",CC1OC(OCC2OC(Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O,C33H40O19,pos_1_sodium,740.21637906,WRXVPTMENPZUIZ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Monteverdia truncata,7054806.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Monteverdia'],['Monteverdia truncata'],6,0,6.0 128638,5533,-1,,,,0.0,MS1_match,WRXVPTMENPZUIZ-MOVIZTNPSA-N,"InChI=1S/C33H40O19/c1-10-19(37)23(41)26(44)31(47-10)46-9-17-21(39)25(43)30(52-32-27(45)24(42)20(38)11(2)48-32)33(50-17)51-29-22(40)18-15(36)7-14(35)8-16(18)49-28(29)12-3-5-13(34)6-4-12/h3-8,10-11,17,19-21,23-27,30-39,41-45H,9H2,1-2H3/t10-,11-,17+,19-,20-,21-,23+,24+,25-,26+,27+,30+,31+,32-,33-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)[C@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C33H40O19,pos_1_sodium,740.21637906,WRXVPTMENPZUIZ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Monteverdia aquifolium,1060183.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Monteverdia'],['Monteverdia aquifolia'],6,0,6.0 128619,5531,-1,,,,0.0,MS1_match,PFTAWBLQPZVEMU-UHFFFAOYSA-N,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2",Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2,C15H14O6,pos_1_1proton1ammonium,290.07903816799995,PFTAWBLQPZVEMU,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Delphinium ajacis,756488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida ajacis'],6,0,6.0 128620,5531,-1,,,,0.0,MS1_match,PFTAWBLQPZVEMU-UHFFFAOYSA-N,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2",Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2,C15H14O6,pos_1_1proton1ammonium,290.07903816799995,PFTAWBLQPZVEMU,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Consolida ajacis,756488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida ajacis'],6,0,6.0 128621,5531,-1,,,,0.0,MS1_match,PFTAWBLQPZVEMU-UHFFFAOYSA-N,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2",Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2,C15H14O6,pos_1_1proton1ammonium,290.07903816799995,PFTAWBLQPZVEMU,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Delphinium hohenackeri,591154.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitella'],['Aconitella hohenackeri'],6,0,6.0 128622,5531,-1,,,,0.0,MS1_match,PFTAWBLQPZVEMU-UHFFFAOYSA-N,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2",Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2,C15H14O6,pos_1_1proton1ammonium,290.07903816799995,PFTAWBLQPZVEMU,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Delphinium andersonii,591156.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium andersonii'],6,0,6.0 128623,5531,-1,,,,0.0,MS1_match,IXJHFORJGDOBHK-IFNLGUEUSA-N,"InChI=1S/C26H28O12/c1-3-10(2)26(35)38-25-22(34)21(33)18(9-27)37-24(25)20-15(31)7-14(30)19-16(32)8-17(36-23(19)20)11-4-5-12(28)13(29)6-11/h4-8,10,18,21-22,24-25,27-31,33-34H,3,9H2,1-2H3/t10-,18-,21-,22+,24+,25-/m1/s1",CC[C@@H](C)C(=O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1c1c(O)cc(O)c2c(=O)cc(-c3ccc(O)c(O)c3)oc12,C26H28O12,pos_2_2proton2acetonitrile,532.158076336,IXJHFORJGDOBHK,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Trollius ledebourii,841872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Adonideae'],['Trollius'],['Trollius ledebouri'],6,0,6.0 128624,5531,-1,,,,0.0,MS1_match,IXJHFORJGDOBHK-IFNLGUEUSA-N,"InChI=1S/C26H28O12/c1-3-10(2)26(35)38-25-22(34)21(33)18(9-27)37-24(25)20-15(31)7-14(30)19-16(32)8-17(36-23(19)20)11-4-5-12(28)13(29)6-11/h4-8,10,18,21-22,24-25,27-31,33-34H,3,9H2,1-2H3/t10-,18-,21-,22+,24+,25-/m1/s1",CC[C@@H](C)C(=O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1c1c(O)cc(O)c2c(=O)cc(-c3ccc(O)c(O)c3)oc12,C26H28O12,pos_2_2proton2acetonitrile,532.158076336,IXJHFORJGDOBHK,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Trollius ledebouri,841872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Adonideae'],['Trollius'],['Trollius ledebouri'],6,0,6.0 128625,5531,-1,,,,0.0,MS1_match,RFYWLSPBFOYSRV-UHFFFAOYSA-N,"InChI=1S/C15H14O6/c16-5-8-1-2-10-13(20-7-8)4-12(19)14-11(18)3-9(6-17)21-15(10)14/h1,3-4,16-17,19H,2,5-7H2",O=c1cc(CO)oc2c3c(cc(O)c12)OCC(CO)=CC3,C15H14O6,pos_1_1proton1ammonium,290.079038168,RFYWLSPBFOYSRV,Polyketides,Chromanes,Chromones,Eranthis hyemalis,756503.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Eranthis'],['Eranthis hyemalis'],6,0,6.0 128626,5531,-1,,,,0.0,MS1_match,RFYWLSPBFOYSRV-UHFFFAOYSA-N,"InChI=1S/C15H14O6/c16-5-8-1-2-10-13(20-7-8)4-12(19)14-11(18)3-9(6-17)21-15(10)14/h1,3-4,16-17,19H,2,5-7H2",O=c1cc(CO)oc2c3c(cc(O)c12)OCC(CO)=CC3,C15H14O6,pos_1_1proton1ammonium,290.079038168,RFYWLSPBFOYSRV,Polyketides,Chromanes,Chromones,Eranthis cilicica,5922989.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Eranthis'],['Eranthis cilicica'],6,0,6.0 128627,5531,-1,,,,0.0,MS1_match,OGUZXOYWHIKKNX-OAHLLOKOSA-N,"InChI=1S/C15H14O6/c1-8-4-10(17)13-11(18)5-12-9(14(13)21-8)2-3-15(19,6-16)7-20-12/h2-5,16,18-19H,6-7H2,1H3/t15-/m1/s1",Cc1cc(=O)c2c(O)cc3c(c2o1)C=C[C@@](O)(CO)CO3,C15H14O6,pos_1_1proton1ammonium,290.079038168,OGUZXOYWHIKKNX,Polyketides,Chromanes,Chromones,Eranthis hyemalis,756503.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Eranthis'],['Eranthis hyemalis'],6,0,6.0 128628,5531,-1,,,,0.0,MS1_match,OGUZXOYWHIKKNX-OAHLLOKOSA-N,"InChI=1S/C15H14O6/c1-8-4-10(17)13-11(18)5-12-9(14(13)21-8)2-3-15(19,6-16)7-20-12/h2-5,16,18-19H,6-7H2,1H3/t15-/m1/s1",Cc1cc(=O)c2c(O)cc3c(c2o1)C=C[C@@](O)(CO)CO3,C15H14O6,pos_1_1proton1ammonium,290.079038168,OGUZXOYWHIKKNX,Polyketides,Chromanes,Chromones,Eranthis cilicica,5922989.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Eranthis'],['Eranthis cilicica'],6,0,6.0 128597,5527,703,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IQPNAANSBPBGFQ-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O6,pos_2MK,286.04773804,IQPNAANSBPBGFQ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Clematis hexapetala,226633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis hexapetala'],8,2,9.0 128593,5525,1166,Terpenoids,Sesquiterpenoids,Noreremophilane sesquiterpenoids,0.22839613,ISDB,UGDVDUDNGSZKIS-HRVVTOCWSA-N,"InChI=1S/C29H38O3/c1-16-9-7-11-21-13-25-27(18(3)26(16)21)19(4)28(32-25)31-24-14-22-12-8-10-17(2)29(22,6)15-23(24)20(5)30/h13,16-17,22H,7-12,14-15H2,1-6H3/t16-,17-,22+,29+/m0/s1",CC(=O)C1=C(Oc2oc3cc4c(c(C)c3c2C)[C@@H](C)CCC4)C[C@H]2CCC[C@H](C)[C@@]2(C)C1,C29H38O3,,434.282095076,UGDVDUDNGSZKIS,Terpenoids,Sesquiterpenoids,Noreremophilane sesquiterpenoids,Ligularia muliensis,7051955.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Ligularia'],['Ligularia muliensis'],4,3,6.413584530353546 128592,5524,-1,,,,0.0,MS1_match,FNNBOIBKFDQUGB-VMPREFPWSA-N,"InChI=1S/C41H48N2O9/c1-42-12-10-22-16-31(45-3)33(47-5)19-26(22)28(42)15-24-18-32(46-4)35(49-7)21-30(24)52-36-17-23-14-29-37-25(11-13-43(29)2)39(44)41(51-9)40(50-8)38(37)27(23)20-34(36)48-6/h16-21,28-29,44H,10-15H2,1-9H3/t28-,29-/m0/s1",COc1cc(C[C@H]2c3cc(OC)c(OC)cc3CCN2C)c(Oc2cc3c(cc2OC)-c2c(OC)c(OC)c(O)c4c2[C@H](C3)N(C)CC4)cc1OC,C41H48N2O9,pos_2_2proton2acetonitrile,712.335981116,FNNBOIBKFDQUGB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Thalictrum revolutum,421843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum revolutum'],6,0,6.0 128583,5519,-1,,,,0.0,MS1_match,VRYWDBDPXMHHGE-HRPPYHBASA-N,"InChI=1S/C33H40O20/c1-10-19(38)23(42)26(45)31(47-10)48-13-6-14(37)18-15(7-13)49-28(11-2-4-12(36)5-3-11)29(22(18)41)52-33-30(25(44)21(40)17(9-35)51-33)53-32-27(46)24(43)20(39)16(8-34)50-32/h2-7,10,16-17,19-21,23-27,30-40,42-46H,8-9H2,1H3/t10-,16+,17+,19-,20+,21-,23+,24-,25-,26+,27+,30+,31-,32-,33-/m0/s1",C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@H](O)[C@H]1O,C33H40O20,pos_1_sodium,756.21129368,VRYWDBDPXMHHGE,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Nigella damascena,387814.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Nigelleae'],['Nigella'],['Nigella damascena'],6,0,6.0 128584,5519,-1,,,,0.0,MS1_match,HKNBJSRIYRDSLB-UHFFFAOYSA-N,"InChI=1S/C33H40O20/c1-9-19(38)23(42)26(45)31(48-9)47-8-17-21(40)25(44)30(53-32-27(46)24(43)20(39)10(2)49-32)33(51-17)52-29-22(41)18-15(37)6-12(34)7-16(18)50-28(29)11-3-4-13(35)14(36)5-11/h3-7,9-10,17,19-21,23-27,30-40,42-46H,8H2,1-2H3",CC1OC(OCC2OC(Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O,C33H40O20,pos_1_sodium,756.21129368,HKNBJSRIYRDSLB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Monteverdia truncata,7054806.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Monteverdia'],['Monteverdia truncata'],6,0,6.0 128585,5519,-1,,,,0.0,MS1_match,HKNBJSRIYRDSLB-MIORVHIISA-N,"InChI=1S/C33H40O20/c1-9-19(38)23(42)26(45)31(48-9)47-8-17-21(40)25(44)30(53-32-27(46)24(43)20(39)10(2)49-32)33(51-17)52-29-22(41)18-15(37)6-12(34)7-16(18)50-28(29)11-3-4-13(35)14(36)5-11/h3-7,9-10,17,19-21,23-27,30-40,42-46H,8H2,1-2H3/t9-,10-,17+,19-,20-,21-,23+,24+,25-,26+,27+,30+,31+,32-,33-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C33H40O20,pos_1_sodium,756.21129368,HKNBJSRIYRDSLB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Monteverdia ilicifolia,433235.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Monteverdia'],['Monteverdia ilicifolia'],6,0,6.0 128586,5519,-1,,,,0.0,MS1_match,HKNBJSRIYRDSLB-MIORVHIISA-N,"InChI=1S/C33H40O20/c1-9-19(38)23(42)26(45)31(48-9)47-8-17-21(40)25(44)30(53-32-27(46)24(43)20(39)10(2)49-32)33(51-17)52-29-22(41)18-15(37)6-12(34)7-16(18)50-28(29)11-3-4-13(35)14(36)5-11/h3-7,9-10,17,19-21,23-27,30-40,42-46H,8H2,1-2H3/t9-,10-,17+,19-,20-,21-,23+,24+,25-,26+,27+,30+,31+,32-,33-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C33H40O20,pos_1_sodium,756.21129368,HKNBJSRIYRDSLB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Monteverdia aquifolium,1060183.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Monteverdia'],['Monteverdia aquifolia'],6,0,6.0 128587,5519,-1,,,,0.0,MS1_match,HKNBJSRIYRDSLB-UHFFFAOYSA-N,"InChI=1S/C33H40O20/c1-9-19(38)23(42)26(45)31(48-9)47-8-17-21(40)25(44)30(53-32-27(46)24(43)20(39)10(2)49-32)33(51-17)52-29-22(41)18-15(37)6-12(34)7-16(18)50-28(29)11-3-4-13(35)14(36)5-11/h3-7,9-10,17,19-21,23-27,30-40,42-46H,8H2,1-2H3",CC1OC(OCC2OC(Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O,C33H40O20,pos_1_sodium,756.21129368,HKNBJSRIYRDSLB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Monteverdia truncata,7054806.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Monteverdia'],['Monteverdia truncata'],6,0,6.0 128588,5519,-1,,,,0.0,MS1_match,HKNBJSRIYRDSLB-MIORVHIISA-N,"InChI=1S/C33H40O20/c1-9-19(38)23(42)26(45)31(48-9)47-8-17-21(40)25(44)30(53-32-27(46)24(43)20(39)10(2)49-32)33(51-17)52-29-22(41)18-15(37)6-12(34)7-16(18)50-28(29)11-3-4-13(35)14(36)5-11/h3-7,9-10,17,19-21,23-27,30-40,42-46H,8H2,1-2H3/t9-,10-,17+,19-,20-,21-,23+,24+,25-,26+,27+,30+,31+,32-,33-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C33H40O20,pos_1_sodium,756.21129368,HKNBJSRIYRDSLB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Monteverdia ilicifolia,433235.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Monteverdia'],['Monteverdia ilicifolia'],6,0,6.0 128589,5519,-1,,,,0.0,MS1_match,HKNBJSRIYRDSLB-MIORVHIISA-N,"InChI=1S/C33H40O20/c1-9-19(38)23(42)26(45)31(48-9)47-8-17-21(40)25(44)30(53-32-27(46)24(43)20(39)10(2)49-32)33(51-17)52-29-22(41)18-15(37)6-12(34)7-16(18)50-28(29)11-3-4-13(35)14(36)5-11/h3-7,9-10,17,19-21,23-27,30-40,42-46H,8H2,1-2H3/t9-,10-,17+,19-,20-,21-,23+,24+,25-,26+,27+,30+,31+,32-,33-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C33H40O20,pos_1_sodium,756.21129368,HKNBJSRIYRDSLB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Monteverdia aquifolium,1060183.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Monteverdia'],['Monteverdia aquifolia'],6,0,6.0 128590,5519,-1,,,,0.0,MS1_match,BFCXCFJUDBNEMU-QPIZCGMOSA-N,"InChI=1S/C33H40O20/c1-9-19(37)23(41)26(44)31(48-9)47-8-17-21(39)25(43)28(46)33(52-17)53-30-22(40)18-15(36)6-12(50-32-27(45)24(42)20(38)10(2)49-32)7-16(18)51-29(30)11-3-4-13(34)14(35)5-11/h3-7,9-10,17,19-21,23-28,31-39,41-46H,8H2,1-2H3/t9-,10-,17+,19-,20-,21-,23+,24+,25-,26+,27+,28+,31+,32-,33-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C33H40O20,pos_1_sodium,756.2112936800003,BFCXCFJUDBNEMU,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Aconitum anthora,14057.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum anthora'],6,0,6.0 128591,5519,-1,,,,0.0,MS1_match,BFCXCFJUDBNEMU-QPIZCGMOSA-N,"InChI=1S/C33H40O20/c1-9-19(37)23(41)26(44)31(48-9)47-8-17-21(39)25(43)28(46)33(52-17)53-30-22(40)18-15(36)6-12(50-32-27(45)24(42)20(38)10(2)49-32)7-16(18)51-29(30)11-3-4-13(34)14(35)5-11/h3-7,9-10,17,19-21,23-28,31-39,41-46H,8H2,1-2H3/t9-,10-,17+,19-,20-,21-,23+,24+,25-,26+,27+,28+,31+,32-,33-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C33H40O20,pos_1_sodium,756.2112936800003,BFCXCFJUDBNEMU,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Aconitum anthora,14057.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum anthora'],6,0,6.0 128580,5514,7,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.46755302,ISDB,HQPQTQQUHPFUOA-ZCPYHVQDSA-N,"InChI=1S/C27H36O2/c1-21(11-7-8-12-22(2)15-10-18-28)13-9-14-23(3)16-17-26-24(4)19-25(29)20-27(26,5)6/h7-18,25,29H,19-20H2,1-6H3/b8-7+,13-9+,15-10+,17-16+,21-11+,22-12+,23-14+/t25-/m1/s1",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=O)C(C)(C)C[C@H](O)C1,C27H36O2,,392.271530392,HQPQTQQUHPFUOA,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],4,1,6.370212078094482 128575,5510,21,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,YMKQLZWZRFMJBN-UHFFFAOYSA-N,"InChI=1S/C21H26O11/c1-21(2,28)14-4-9-11(31-14)5-12-15(16(9)24)10(23)3-8(30-12)7-29-20-19(27)18(26)17(25)13(6-22)32-20/h3,5,13-14,17-20,22,24-28H,4,6-7H2,1-2H3",CC(C)(O)C1Cc2c(cc3oc(COC4OC(CO)C(O)C(O)C4O)cc(=O)c3c2O)O1,C21H26O11,pos_1_1proton1acetonitrile,454.147511652,YMKQLZWZRFMJBN,Polyketides,Chromanes,Chromones,Actaea cimicifuga,988720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea cimicifuga'],6,0,6.0 128576,5510,21,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,YMKQLZWZRFMJBN-UHFFFAOYSA-N,"InChI=1S/C21H26O11/c1-21(2,28)14-4-9-11(31-14)5-12-15(16(9)24)10(23)3-8(30-12)7-29-20-19(27)18(26)17(25)13(6-22)32-20/h3,5,13-14,17-20,22,24-28H,4,6-7H2,1-2H3",CC(C)(O)C1Cc2c(cc3oc(COC4OC(CO)C(O)C(O)C4O)cc(=O)c3c2O)O1,C21H26O11,pos_1_1proton1acetonitrile,454.147511652,YMKQLZWZRFMJBN,Polyketides,Chromanes,Chromones,Actaea elata,988729.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea elata'],6,0,6.0 128577,5510,21,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,PBHOYFHVNTVOLB-JEQBVLSKSA-N,"InChI=1S/C21H26O11/c1-9(8-30-21-19(29)18(28)17(27)15(7-23)32-21)2-3-11-12(24)5-14(26)16-13(25)4-10(6-22)31-20(11)16/h2,4-5,15,17-19,21-24,26-29H,3,6-8H2,1H3/b9-2+/t15-,17-,18+,19-,21-/m1/s1",C/C(=C\Cc1c(O)cc(O)c2c(=O)cc(CO)oc12)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C21H26O11,pos_1_1proton1acetonitrile,454.147511652,PBHOYFHVNTVOLB,Polyketides,Chromanes,Chromones,Eranthis hyemalis,756503.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Eranthis'],['Eranthis hyemalis'],6,0,6.0 128578,5510,21,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GWJOORMJFDUWLC-JEQBVLSKSA-N,"InChI=1S/C21H26O11/c1-9(6-22)2-3-11-14(31-21-19(29)18(28)17(27)15(8-24)32-21)5-13(26)16-12(25)4-10(7-23)30-20(11)16/h2,4-5,15,17-19,21-24,26-29H,3,6-8H2,1H3/b9-2+/t15-,17-,18+,19-,21-/m1/s1",C/C(=C\Cc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c2c(=O)cc(CO)oc12)CO,C21H26O11,pos_1_1proton1acetonitrile,454.147511652,GWJOORMJFDUWLC,Polyketides,Chromanes,Chromones,Eranthis cilicica,5922989.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Eranthis'],['Eranthis cilicica'],6,0,6.0 128579,5510,21,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GWJOORMJFDUWLC-JEQBVLSKSA-N,"InChI=1S/C21H26O11/c1-9(6-22)2-3-11-14(31-21-19(29)18(28)17(27)15(8-24)32-21)5-13(26)16-12(25)4-10(7-23)30-20(11)16/h2,4-5,15,17-19,21-24,26-29H,3,6-8H2,1H3/b9-2+/t15-,17-,18+,19-,21-/m1/s1",C/C(=C\Cc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c2c(=O)cc(CO)oc12)CO,C21H26O11,pos_1_1proton1acetonitrile,454.147511652,GWJOORMJFDUWLC,Polyketides,Chromanes,Chromones,Eranthis hyemalis,756503.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Eranthis'],['Eranthis hyemalis'],6,0,6.0 128554,5495,814,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NIILTAHMGPDJNM-GSMBFNAYSA-N,"InChI=1S/C22H22O11/c23-14-4-1-12(7-16(14)25)3-6-21(31)33-18(9-19(27)28)22(32,11-20(29)30)10-13-2-5-15(24)17(26)8-13/h1-8,18,23-26,32H,9-11H2,(H,27,28)(H,29,30)/b6-3+/t18-,22?/m1/s1",O=C(O)C[C@@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(O)(CC(=O)O)Cc1ccc(O)c(O)c1,C22H22O11,pos_1_sodium,462.116211524,NIILTAHMGPDJNM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cimicifuga simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],6,3,7.5 128555,5495,814,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NIILTAHMGPDJNM-GSMBFNAYSA-N,"InChI=1S/C22H22O11/c23-14-4-1-12(7-16(14)25)3-6-21(31)33-18(9-19(27)28)22(32,11-20(29)30)10-13-2-5-15(24)17(26)8-13/h1-8,18,23-26,32H,9-11H2,(H,27,28)(H,29,30)/b6-3+/t18-,22?/m1/s1",O=C(O)C[C@@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(O)(CC(=O)O)Cc1ccc(O)c(O)c1,C22H22O11,pos_1_sodium,462.116211524,NIILTAHMGPDJNM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Actaea simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],6,3,7.5 128556,5495,814,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NIILTAHMGPDJNM-GSMBFNAYSA-N,"InChI=1S/C22H22O11/c23-14-4-1-12(7-16(14)25)3-6-21(31)33-18(9-19(27)28)22(32,11-20(29)30)10-13-2-5-15(24)17(26)8-13/h1-8,18,23-26,32H,9-11H2,(H,27,28)(H,29,30)/b6-3+/t18-,22?/m1/s1",O=C(O)C[C@@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(O)(CC(=O)O)Cc1ccc(O)c(O)c1,C22H22O11,pos_1_sodium,462.116211524,NIILTAHMGPDJNM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Actaea dahurica,462227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea dahurica'],6,3,7.5 128557,5495,814,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NIILTAHMGPDJNM-GSMBFNAYSA-N,"InChI=1S/C22H22O11/c23-14-4-1-12(7-16(14)25)3-6-21(31)33-18(9-19(27)28)22(32,11-20(29)30)10-13-2-5-15(24)17(26)8-13/h1-8,18,23-26,32H,9-11H2,(H,27,28)(H,29,30)/b6-3+/t18-,22?/m1/s1",O=C(O)C[C@@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(O)(CC(=O)O)Cc1ccc(O)c(O)c1,C22H22O11,pos_1_sodium,462.116211524,NIILTAHMGPDJNM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Actaea racemosa,512702.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea racemosa'],6,3,7.5 128558,5495,814,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,YMPYAGUNPNITIL-SAEXZTQASA-N,"InChI=1S/C22H22O11/c1-31-16-7-4-12(10-17(16)32-2)5-8-18(25)33-19(20(26)27)22(30,21(28)29)11-13-3-6-14(23)15(24)9-13/h3-10,19,23-24,30H,11H2,1-2H3,(H,26,27)(H,28,29)/b8-5-/t19-,22-/m1/s1",COc1ccc(/C=C\C(=O)O[C@H](C(=O)O)[C@](O)(Cc2ccc(O)c(O)c2)C(=O)O)cc1OC,C22H22O11,pos_1_sodium,462.1162115239999,YMPYAGUNPNITIL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cimicifuga simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],6,3,7.5 128559,5495,814,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,YMPYAGUNPNITIL-SAEXZTQASA-N,"InChI=1S/C22H22O11/c1-31-16-7-4-12(10-17(16)32-2)5-8-18(25)33-19(20(26)27)22(30,21(28)29)11-13-3-6-14(23)15(24)9-13/h3-10,19,23-24,30H,11H2,1-2H3,(H,26,27)(H,28,29)/b8-5-/t19-,22-/m1/s1",COc1ccc(/C=C\C(=O)O[C@H](C(=O)O)[C@](O)(Cc2ccc(O)c(O)c2)C(=O)O)cc1OC,C22H22O11,pos_1_sodium,462.1162115239999,YMPYAGUNPNITIL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Actaea simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],6,3,7.5 128560,5495,814,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,YMPYAGUNPNITIL-SAEXZTQASA-N,"InChI=1S/C22H22O11/c1-31-16-7-4-12(10-17(16)32-2)5-8-18(25)33-19(20(26)27)22(30,21(28)29)11-13-3-6-14(23)15(24)9-13/h3-10,19,23-24,30H,11H2,1-2H3,(H,26,27)(H,28,29)/b8-5-/t19-,22-/m1/s1",COc1ccc(/C=C\C(=O)O[C@H](C(=O)O)[C@](O)(Cc2ccc(O)c(O)c2)C(=O)O)cc1OC,C22H22O11,pos_1_sodium,462.1162115239999,YMPYAGUNPNITIL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Actaea japonica,988749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea japonica'],6,3,7.5 128561,5495,814,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,YMPYAGUNPNITIL-AHKCGJDQSA-N,"InChI=1S/C22H22O11/c1-31-16-7-4-12(10-17(16)32-2)5-8-18(25)33-19(20(26)27)22(30,21(28)29)11-13-3-6-14(23)15(24)9-13/h3-10,19,23-24,30H,11H2,1-2H3,(H,26,27)(H,28,29)/b8-5+/t19-,22-/m1/s1",COc1ccc(/C=C/C(=O)O[C@H](C(=O)O)[C@](O)(Cc2ccc(O)c(O)c2)C(=O)O)cc1OC,C22H22O11,pos_1_sodium,462.1162115239999,YMPYAGUNPNITIL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Actaea dahurica,462227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea dahurica'],6,3,7.5 128563,5495,814,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,YMPYAGUNPNITIL-AHKCGJDQSA-N,"InChI=1S/C22H22O11/c1-31-16-7-4-12(10-17(16)32-2)5-8-18(25)33-19(20(26)27)22(30,21(28)29)11-13-3-6-14(23)15(24)9-13/h3-10,19,23-24,30H,11H2,1-2H3,(H,26,27)(H,28,29)/b8-5+/t19-,22-/m1/s1",COc1ccc(/C=C/C(=O)O[C@H](C(=O)O)[C@](O)(Cc2ccc(O)c(O)c2)C(=O)O)cc1OC,C22H22O11,pos_1_sodium,462.1162115239999,YMPYAGUNPNITIL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Actaea racemosa,512702.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea racemosa'],6,3,7.5 128571,5495,814,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,BTQPTWPZTSYUPW-AHKCGJDQSA-N,"InChI=1S/C22H22O11/c1-31-15-9-13(10-16(32-2)18(15)25)5-8-17(24)33-19(20(26)27)22(30,21(28)29)11-12-3-6-14(23)7-4-12/h3-10,19,23,25,30H,11H2,1-2H3,(H,26,27)(H,28,29)/b8-5+/t19-,22-/m1/s1",COc1cc(/C=C/C(=O)O[C@H](C(=O)O)[C@](O)(Cc2ccc(O)cc2)C(=O)O)cc(OC)c1O,C22H22O11,pos_1_sodium,462.1162115239999,BTQPTWPZTSYUPW,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Actaea dahurica,462227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea dahurica'],6,3,7.5 128531,5494,1257,Fatty acids,Fatty esters,Wax monoesters,0.62640226,ISDB,LDCRTTXIJACKKU-ONEGZZNKSA-N,"InChI=1S/C6H8O4/c1-9-5(7)3-4-6(8)10-2/h3-4H,1-2H3/b4-3+",COC(=O)/C=C/C(=O)OC,C6H8O4,,144.042258736,LDCRTTXIJACKKU,Fatty acids,Fatty esters,Wax monoesters,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],4,3,8.005609035491943 128468,5490,-1,,,,0.400271,ISDB,BFCXCFJUDBNEMU-QPIZCGMOSA-N,"InChI=1S/C33H40O20/c1-9-19(37)23(41)26(44)31(48-9)47-8-17-21(39)25(43)28(46)33(52-17)53-30-22(40)18-15(36)6-12(50-32-27(45)24(42)20(38)10(2)49-32)7-16(18)51-29(30)11-3-4-13(34)14(35)5-11/h3-7,9-10,17,19-21,23-28,31-39,41-46H,8H2,1-2H3/t9-,10-,17+,19-,20-,21-,23+,24+,25-,26+,27+,28+,31+,32-,33-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C33H40O20,,756.2112936800003,BFCXCFJUDBNEMU,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Aconitum anthora,14057.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum anthora'],6,0,7.601083993911743 127739,5489,186,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.63862497,ISDB,ODBRNZZJSYPIDI-VJXVFPJBSA-N,"InChI=1S/C21H20O11/c22-6-14-17(27)19(29)20(30)21(32-14)16-11(26)5-13-15(18(16)28)10(25)4-12(31-13)7-1-2-8(23)9(24)3-7/h1-5,14,17,19-24,26-30H,6H2/t14-,17-,19+,20-,21+/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12,C21H20O11,,448.10056145999977,ODBRNZZJSYPIDI,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Clematis rehderiana,289952.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis rehderiana'],8,3,12.054499864578247 127654,5487,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.37883952,ISDB,FJCQUJKUMKZEMH-UHFFFAOYSA-N,"InChI=1S/C14H22O/c1-11(10-15)7-8-13-12(2)6-5-9-14(13,3)4/h7,10H,5-6,8-9H2,1-4H3",CC(C=O)=CCC1=C(C)CCCC1(C)C,C14H22O,,206.167065324,FJCQUJKUMKZEMH,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,1,8.015358090400696 127645,5486,86,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.46825996,ISDB,XLRKOLKRNKXOTP-WLUVJUPWSA-N,"InChI=1S/C26H38O12/c1-13(8-10-27)5-4-6-14(2)23(33)35-12-17-19(28)20(29)21(30)25(37-17)38-24-18-15(7-9-26(18,3)34)16(11-36-24)22(31)32/h6,8,11,15,17-21,24-25,27-30,34H,4-5,7,9-10,12H2,1-3H3,(H,31,32)/b13-8+,14-6+/t15-,17-,18-,19-,20+,21-,24+,25+,26+/m1/s1",C/C(=C\CO)CC/C=C(\C)C(=O)OC[C@H]1O[C@@H](O[C@@H]2OC=C(C(=O)O)[C@H]3CC[C@](C)(O)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C26H38O12,,542.236326656,XLRKOLKRNKXOTP,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Vitex agnus-castus,988127.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Vitex'],['Vitex agnus-castus'],4,2,6.8730398416519165 127619,5483,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.47407204,ISDB,MYQAIYGVAHDZRD-JUIQTESCSA-N,"InChI=1S/C29H44O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-11,13,19-21,23,25,27,30H,7,12,14-18H2,1-6H3/b9-8+/t20-,21-,23+,25-,27+,28+,29-/m1/s1",CC[C@H](/C=C/[C@@H](C)[C@H]1CC=C2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C,C29H44O,,408.339216028,MYQAIYGVAHDZRD,Terpenoids,Steroids,Ergostane steroids,Actinidia chinensis var. deliciosa,279986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Actinidiaceae'],['Unknown'],['Actinidia'],['Actinidia deliciosa'],4,1,6.396288156509399 127617,5482,55,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,BNZPSEZCTSCFIK-ACOAUPBPSA-N,"InChI=1S/C36H43NO9/c1-7-16(2)32(41)46-26-30(40)34(6)15-37-21-14-35-13-17(3)22-24(45-33(42)20-11-9-8-10-12-20)23(35)29(37)36(27(21)34,31(26)44-19(5)39)28(35)25(22)43-18(4)38/h8-12,16,21-31,40H,3,7,13-15H2,1-2,4-6H3/t16-,21-,22-,23+,24+,25-,26+,27+,28+,29+,30+,31+,34-,35-,36+/m1/s1",C=C1C[C@@]23C[C@@H]4[C@H]5[C@@]6(C)CN4[C@H]4[C@@H]2[C@@H](OC(=O)c2ccccc2)[C@@H]1[C@@H](OC(C)=O)[C@@H]3[C@]45[C@@H](OC(C)=O)[C@@H](OC(=O)[C@H](C)CC)[C@@H]6O,C36H43NO9,pos_1_1proton1ethylamine,633.293781956,BNZPSEZCTSCFIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium verdunense,142827.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium verdunense'],6,3,7.5 127618,5482,55,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,SUAGNMVLYLCPLQ-HZTMVZLDSA-N,"InChI=1S/C36H43NO9/c1-7-16(2)32(41)46-30-24(40)31(44-19(5)39)36-27-21-14-35-13-17(3)22(26(28(35)36)43-18(4)38)25(45-33(42)20-11-9-8-10-12-20)23(35)29(36)37(21)15-34(27,30)6/h8-12,16,21-31,40H,3,7,13-15H2,1-2,4-6H3/t16-,21+,22+,23-,24-,25-,26+,27-,28-,29-,30+,31+,34+,35+,36-/m0/s1",C=C1C[C@@]23C[C@@H]4[C@H]5[C@@]6(C)CN4[C@H]4[C@@H]2[C@@H](OC(=O)c2ccccc2)[C@@H]1[C@@H](OC(C)=O)[C@@H]3[C@]45[C@H](OC(C)=O)[C@@H](O)[C@H]6OC(=O)[C@@H](C)CC,C36H43NO9,pos_1_1proton1ethylamine,633.293781956,SUAGNMVLYLCPLQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium verdunense,142827.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium verdunense'],6,3,7.5 127616,5480,228,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.2089589,ISDB,MANRNIGLLXPOCY-UHFFFAOYSA-N,"InChI=1S/C24H37NO5/c1-4-5-6-7-8-11-14-20-21(29-20)15-12-9-10-13-18(26)16-22(27)25-19-17-24(2,3)30-23(19)28/h9-10,12-13,17-18,20-21,26H,4-8,11,14-16H2,1-3H3,(H,25,27)",CCCCCCCCC1OC1CC=CC=CC(O)CC(=O)NC1=CC(C)(C)OC1=O,C24H37NO5,,419.267173284,MANRNIGLLXPOCY,Polyketides,,,Pseudoalteromonas,388487.0,['Bacteria'],['Unknown'],['Proteobacteria'],['Gammaproteobacteria'],['Alteromonadales'],['Pseudoalteromonadaceae'],['Unknown'],['Pseudoalteromonas'],['Unknown'],0,0,0.8358355760574341 127522,5478,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.2687744,ISDB,RROGHRHLBLVQSG-ZIEWLMKPSA-N,"InChI=1S/C41H66O13/c1-36(2)13-15-41(35(49)50)16-14-39(5)21(22(41)17-36)7-8-26-37(3)11-10-27(38(4,20-43)25(37)9-12-40(26,39)6)53-34-32(28(45)23(44)19-51-34)54-33-31(48)30(47)29(46)24(18-42)52-33/h7,22-34,42-48H,8-20H2,1-6H3,(H,49,50)/t22-,23+,24+,25+,26+,27-,28+,29+,30-,31+,32-,33-,34-,37-,38-,39+,40+,41-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@@H](O)[C@@H](O)[C@@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C41H66O13,,766.450342172,RROGHRHLBLVQSG,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lonicera nigra,179065.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera nigra'],8,3,10.575097560882568 127516,5477,792,Shikimates and Phenylpropanoids,Lignans,,0.31769264,ISDB,XVECPILXJDKZJX-OKKVRJOVSA-N,"InChI=1S/C28H38O12/c1-34-18-9-6-15(12-21(18)36-3)17(30)8-11-20(39-28-26(33)25(32)24(31)23(14-29)40-28)27(38-5)16-7-10-19(35-2)22(13-16)37-4/h6-7,9-10,12-13,20,23-29,31-33H,8,11,14H2,1-5H3/t20-,23-,24-,25+,26-,27+,28-/m1/s1",COc1ccc(C(=O)CC[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](OC)c2ccc(OC)c(OC)c2)cc1OC,C28H38O12,,566.236326656,XVECPILXJDKZJX,Shikimates and Phenylpropanoids,Lignans,,Curculigo capitulata,807749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Hypoxidaceae'],['Unknown'],['Molineria'],['Molineria capitulata'],4,2,6.27077054977417 127517,5477,792,Shikimates and Phenylpropanoids,Lignans,,0.31769264,ISDB,XVECPILXJDKZJX-OKKVRJOVSA-N,"InChI=1S/C28H38O12/c1-34-18-9-6-15(12-21(18)36-3)17(30)8-11-20(39-28-26(33)25(32)24(31)23(14-29)40-28)27(38-5)16-7-10-19(35-2)22(13-16)37-4/h6-7,9-10,12-13,20,23-29,31-33H,8,11,14H2,1-5H3/t20-,23-,24-,25+,26-,27+,28-/m1/s1",COc1ccc(C(=O)CC[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](OC)c2ccc(OC)c(OC)c2)cc1OC,C28H38O12,,566.236326656,XVECPILXJDKZJX,Shikimates and Phenylpropanoids,Lignans,,Molineria capitulata,807749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Hypoxidaceae'],['Unknown'],['Molineria'],['Molineria capitulata'],4,2,6.27077054977417 127515,5475,193,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,QHQVOSUMKVHHMB-UHFFFAOYSA-N,"InChI=1S/C12H12O5/c1-6-11-8(15-2)5-10(14)17-9(11)4-7(13)12(6)16-3/h4-5,13H,1-3H3",COc1c(O)cc2oc(=O)cc(OC)c2c1C,C12H12O5,pos_1_1proton,236.068473484,QHQVOSUMKVHHMB,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Clematis delavayi,72769.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis delavayi'],8,3,9.5 127510,5474,1239,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.60011405,ISDB,LQYXTOIDTDPFSA-HCUKATGVSA-N,"InChI=1S/C36H38N4O7/c1-9-20-16(3)23-13-25-18(5)22(11-12-29(41)42)32(39-25)31(34(43)36(45)47-8)33-30(35(44)46-7)19(6)26(40-33)15-28-21(10-2)17(4)24(38-28)14-27(20)37-23/h9,13-15,18,22,37,43H,1,10-12H2,2-8H3,(H,41,42)/b24-14?,25-13?,26-15?,34-31+/t18-,22-/m0/s1",C=Cc1c2[nH]c(c1C)C=C1N=C(/C(=C(\O)C(=O)OC)C3=NC(=CC4=NC(=C2)C(C)=C4CC)C(C)=C3C(=O)OC)[C@@H](CCC(=O)O)[C@@H]1C,C36H38N4O7,,638.274049556,LQYXTOIDTDPFSA,,,,Clerodendrum calamitosum,6086132.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Clerodendrum'],['Clerodendrum calamitosum'],4,0,6.400456190109253 127502,5470,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.28690174,ISDB,ASSIBWYNZRJTFC-UHFFFAOYSA-N,"InChI=1S/C53H86O23/c1-48(2)14-15-53(47(68)76-45-41(67)37(63)35(61)27(73-45)21-70-46-42(38(64)34(60)26(19-55)72-46)75-44-40(66)36(62)33(59)25(18-54)71-44)23(16-48)22-8-9-29-50(5)12-11-31(74-43-39(65)32(58)24(56)20-69-43)49(3,4)28(50)10-13-51(29,6)52(22,7)17-30(53)57/h8,23-46,54-67H,9-21H2,1-7H3",CC1(C)CCC2(C(=O)OC3OC(COC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1,C53H86O23,,1090.555989012,ASSIBWYNZRJTFC,Terpenoids,Triterpenoids,Oleanane triterpenoids,Agrostemma gracilis,5143766.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Sileneae'],['Agrostemma'],['Agrostemma brachyloba'],4,3,6.6476069688797 127503,5470,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.28690174,ISDB,ASSIBWYNZRJTFC-XTQPHZDFSA-N,"InChI=1S/C53H86O23/c1-48(2)14-15-53(47(68)76-45-41(67)37(63)35(61)27(73-45)21-70-46-42(38(64)34(60)26(19-55)72-46)75-44-40(66)36(62)33(59)25(18-54)71-44)23(16-48)22-8-9-29-50(5)12-11-31(74-43-39(65)32(58)24(56)20-69-43)49(3,4)28(50)10-13-51(29,6)52(22,7)17-30(53)57/h8,23-46,54-67H,9-21H2,1-7H3/t23-,24+,25+,26+,27+,28-,29+,30+,31-,32-,33+,34+,35+,36-,37-,38-,39+,40+,41+,42+,43-,44-,45-,46+,50-,51+,52+,53+/m0/s1",CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C53H86O23,,1090.555989012,ASSIBWYNZRJTFC,Terpenoids,Triterpenoids,Oleanane triterpenoids,Agrostemma brachyloba,5143766.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Sileneae'],['Agrostemma'],['Agrostemma brachyloba'],4,3,6.6476069688797 127063,5468,79,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.41752142,ISDB,SBLZVJIHPWRSQQ-UHFFFAOYSA-N,"InChI=1S/C20H24O6/c1-24-17-10-13(5-6-16(17)23)19-15(11-22)14-8-12(4-3-7-21)9-18(25-2)20(14)26-19/h5-6,8-10,15,19,21-23H,3-4,7,11H2,1-2H3",COc1cc(C2Oc3c(OC)cc(CCCO)cc3C2CO)ccc1O,C20H24O6,,360.15728848799995,SBLZVJIHPWRSQQ,Shikimates and Phenylpropanoids,Lignans,Neolignans,Clematis delavayi,72769.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis delavayi'],8,3,11.170085668563843 127060,5466,-1,,,,0.0,MS1_match,KKLONPANWKAOPP-DFEUVTCYSA-N,"InChI=1S/C24H29NO11/c1-3-14-15(6-5-12-7-13(21(30)31)9-25(4-2)8-12)16(22(32)33)11-34-23(14)36-24-20(29)19(28)18(27)17(10-26)35-24/h3,5-9,11,14-15,17-20,23-24,26-29H,1,4,10H2,2H3,(H-,30,31,32,33)/b6-5+/t14-,15+,17-,18-,19+,20-,23+,24+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)[O-])[C@H]1/C=C/c1cc(C(=O)O)c[n+](CC)c1,C24H29NO11,pos_1_1proton1methanol,507.1740607479998,KKLONPANWKAOPP,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 127061,5466,-1,,,,0.0,MS1_match,ONSYQRQUUDJRLS-IRTUFKDUSA-N,"InChI=1S/C24H29NO11/c1-2-14-15(6-5-13-4-3-8-25(10-13)9-7-18(27)28)16(22(32)33)12-34-23(14)36-24-21(31)20(30)19(29)17(11-26)35-24/h2-6,8,10,12,14-15,17,19-21,23-24,26,29-31H,1,7,9,11H2,(H-,27,28,32,33)/b6-5+/t14-,15+,17-,19-,20+,21-,23+,24+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)[O-])[C@H]1/C=C/c1ccc[n+](CCC(=O)O)c1,C24H29NO11,pos_1_1proton1methanol,507.1740607479998,ONSYQRQUUDJRLS,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 127062,5466,-1,,,,0.0,MS1_match,YEXJLSCDDBIEPB-DFEUVTCYSA-N,"InChI=1S/C24H29NO11/c1-4-14-15(6-5-12-7-13(21(30)31)9-25(2)8-12)16(22(32)33-3)11-34-23(14)36-24-20(29)19(28)18(27)17(10-26)35-24/h4-9,11,14-15,17-20,23-24,26-29H,1,10H2,2-3H3/b6-5+/t14-,15+,17-,18-,19+,20-,23+,24+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1/C=C/c1cc(C(=O)[O-])c[n+](C)c1,C24H29NO11,pos_1_1proton1methanol,507.174060748,YEXJLSCDDBIEPB,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 127059,5465,-1,,,,0.40668106,ISDB,,,,,,,GBKIBSMKCVHIKM,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.6267242431640625 127050,5463,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,JZJSMQHXFBDMBB-RTQWZQBFSA-N,"InChI=1S/C42H68O14/c1-37(2)13-15-42(36(52)56-35-33(51)31(49)29(47)24(55-35)19-53-34-32(50)30(48)28(46)23(18-43)54-34)16-14-40(5)21(22(42)17-37)7-8-26-38(3)11-10-27(45)39(4,20-44)25(38)9-12-41(26,40)6/h7,22-35,43-51H,8-20H2,1-6H3/t22-,23+,24+,25+,26+,27-,28+,29+,30-,31-,32+,33+,34+,35-,38-,39-,40+,41+,42-/m0/s1",CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C42H68O14,pos_1_1proton1ammonium,796.4609068560001,JZJSMQHXFBDMBB,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lonicera macrantha,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 127051,5463,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,JZJSMQHXFBDMBB-RTQWZQBFSA-N,"InChI=1S/C42H68O14/c1-37(2)13-15-42(36(52)56-35-33(51)31(49)29(47)24(55-35)19-53-34-32(50)30(48)28(46)23(18-43)54-34)16-14-40(5)21(22(42)17-37)7-8-26-38(3)11-10-27(45)39(4,20-44)25(38)9-12-41(26,40)6/h7,22-35,43-51H,8-20H2,1-6H3/t22-,23+,24+,25+,26+,27-,28+,29+,30-,31-,32+,33+,34+,35-,38-,39-,40+,41+,42-/m0/s1",CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C42H68O14,pos_1_1proton1ammonium,796.4609068560001,JZJSMQHXFBDMBB,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lonicera macrantha,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 127052,5463,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,YEBCEGBBUMGPQI-OLTREEDVSA-N,"InChI=1S/C42H68O14/c1-37(2)13-15-42(36(52)56-35-33(51)31(49)29(47)24(19-44)54-35)16-14-40(5)21(22(42)17-37)7-8-26-38(3)11-10-27(39(4,20-45)25(38)9-12-41(26,40)6)55-34-32(50)30(48)28(46)23(18-43)53-34/h7,22-35,43-51H,8-20H2,1-6H3/t22-,23+,24+,25+,26+,27-,28+,29+,30-,31-,32+,33+,34-,35-,38-,39-,40+,41+,42-/m0/s1",CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C42H68O14,pos_1_1proton1ammonium,796.4609068560001,YEBCEGBBUMGPQI,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lonicera bournei,5746380.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera bournei'],7,3,8.5 127053,5463,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,YEBCEGBBUMGPQI-OLTREEDVSA-N,"InChI=1S/C42H68O14/c1-37(2)13-15-42(36(52)56-35-33(51)31(49)29(47)24(19-44)54-35)16-14-40(5)21(22(42)17-37)7-8-26-38(3)11-10-27(39(4,20-45)25(38)9-12-41(26,40)6)55-34-32(50)30(48)28(46)23(18-43)53-34/h7,22-35,43-51H,8-20H2,1-6H3/t22-,23+,24+,25+,26+,27-,28+,29+,30-,31-,32+,33+,34-,35-,38-,39-,40+,41+,42-/m0/s1",CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C42H68O14,pos_1_1proton1ammonium,796.4609068560001,YEBCEGBBUMGPQI,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lonicera bournei,5746380.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera bournei'],7,3,8.5 127044,5462,-1,,,,0.0,MS1_match,GZSOSUNBTXMUFQ-UHFFFAOYSA-N,"InChI=1S/C28H32O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-8,10,19,21-30,32-37H,9H2,1-2H3",COc1ccc(-c2cc(=O)c3c(O)cc(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O)cc3o2)cc1O,C28H32O15,pos_1_sodium,608.174120324,GZSOSUNBTXMUFQ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Valeriana rossica,6061718.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana rossica'],6,0,6.0 127045,5462,-1,,,,0.0,MS1_match,GZSOSUNBTXMUFQ-CYZBKYQRSA-N,"InChI=1S/C28H32O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-8,10,19,21-30,32-37H,9H2,1-2H3/t10-,19+,21-,22+,23+,24-,25+,26+,27-,28+/m0/s1",COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1O,C28H32O15,pos_1_sodium,608.1741203239999,GZSOSUNBTXMUFQ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Lomelosia caucasica,994163.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lomelosia'],['Lomelosia caucasica'],6,0,6.0 127046,5462,-1,,,,0.0,MS1_match,GZSOSUNBTXMUFQ-UHFFFAOYSA-N,"InChI=1S/C28H32O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-8,10,19,21-30,32-37H,9H2,1-2H3",COc1ccc(-c2cc(=O)c3c(O)cc(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O)cc3o2)cc1O,C28H32O15,pos_1_sodium,608.174120324,GZSOSUNBTXMUFQ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Valeriana rossica,6061718.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana rossica'],6,0,6.0 127047,5462,-1,,,,0.0,MS1_match,GZSOSUNBTXMUFQ-CYZBKYQRSA-N,"InChI=1S/C28H32O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-8,10,19,21-30,32-37H,9H2,1-2H3/t10-,19+,21-,22+,23+,24-,25+,26+,27-,28+/m0/s1",COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1O,C28H32O15,pos_1_sodium,608.1741203239999,GZSOSUNBTXMUFQ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Lomelosia caucasica,994163.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lomelosia'],['Lomelosia caucasica'],6,0,6.0 127048,5462,-1,,,,0.0,MS1_match,VCCNKWWXYVWTLT-CYZBKYQRSA-N,"InChI=1S/C28H32O15/c1-10-21(33)23(35)25(37)27(39-10)43-26-24(36)22(34)19(9-29)42-28(26)40-12-6-14(31)20-15(32)8-17(41-18(20)7-12)11-3-4-16(38-2)13(30)5-11/h3-8,10,19,21-31,33-37H,9H2,1-2H3/t10-,19+,21-,22+,23+,24-,25+,26+,27-,28+/m0/s1",COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)cc3o2)cc1O,C28H32O15,pos_1_sodium,608.174120324,VCCNKWWXYVWTLT,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Trollius ledebourii,841872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Adonideae'],['Trollius'],['Trollius ledebouri'],6,0,6.0 127049,5462,-1,,,,0.0,MS1_match,SWZFUPSKOHNPFU-JUHWEFMQSA-N,"InChI=1S/C28H32O15/c1-39-18-11-14(5-9-17(18)41-26-23(34)22(33)21(32)19(13-29)42-26)6-10-20(31)43-28(27(37)38,24(35)25(36)40-2)12-15-3-7-16(30)8-4-15/h3-11,19,21-24,26,29-30,32-35H,12-13H2,1-2H3,(H,37,38)/b10-6+/t19-,21-,22+,23-,24?,26-,28?/m1/s1",COC(=O)C(O)C(Cc1ccc(O)cc1)(OC(=O)/C=C/c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(OC)c1)C(=O)O,C28H32O15,pos_1_sodium,608.174120324,SWZFUPSKOHNPFU,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Actaea dahurica,462227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea dahurica'],6,0,6.0 126999,5460,-1,,,,0.0,MS1_match,RKWHWFONKJEUEF-WYFQJXRYSA-O,"InChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26)/p+1/t16-,17+,18+,19-,21?/m1/s1",OC[C@H]1OC(Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@H]1O,C21H21O11+,pos_2MH,449.10783791209,RKWHWFONKJEUEF,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Lonicera caucasica,5746390.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caucasica'],8,0,8.0 126998,5458,-1,,,,0.2142799,ISDB,FCVLIMJMXLPMSE-UHFFFAOYSA-N,"InChI=1S/C13H11NO5/c1-6-11(16)8-3-4-14-9(5-19-7(2)15)10(8)13(18)12(6)17/h3-4,17H,5H2,1-2H3",CC(=O)OCc1nccc2c1C(=O)C(O)=C(C)C2=O,C13H11NO5,,261.06372245200004,FCVLIMJMXLPMSE,Polyketides,Naphthalenes,Naphthoquinones,Neopetrosia similis,4939026.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Haplosclerida'],['Petrosiidae'],['Unknown'],['Neopetrosia'],['Neopetrosia similis'],1,0,1.857119619846344 126967,5456,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.51327604,ISDB,CMXCLTFHXRTSPB-WIXFNSMHSA-N,"InChI=1S/C30H44O2/c1-18(2)9-7-10-19(3)23-14-22-16-30(25(23)13-21(22)5)26-15-24-20(4)11-8-12-29(24,6)17-27(26)32-28(30)31/h9,13,15,19-20,22-23,25-27H,7-8,10-12,14,16-17H2,1-6H3/t19-,20-,22+,23-,25-,26-,27+,29+,30-/m0/s1",CC(C)=CCC[C@H](C)[C@@H]1C[C@@H]2C[C@]3(C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)C5=C[C@@H]43)[C@H]1C=C2C,C30H44O2,,436.334130648,CMXCLTFHXRTSPB,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Helenium autumnale,483908.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Helenieae'],['Helenium'],['Helenium autumnale'],4,2,7.0531041622161865 126950,5454,-1,,,,0.26863104,ISDB,JZGSAQYOKZSOSY-UHFFFAOYSA-N,"InChI=1S/C42H70O13/c1-20(2)10-9-11-21(3)22-12-15-41(7)29(22)23(45)16-27-40(6)14-13-28(46)39(4,5)36(40)24(17-42(27,41)8)52-38-35(33(50)31(48)26(19-44)54-38)55-37-34(51)32(49)30(47)25(18-43)53-37/h10-11,22-38,43-51H,9,12-19H2,1-8H3",CC(C)=CCC=C(C)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)CC12C,C42H70O13,,782.4816423000001,JZGSAQYOKZSOSY,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Panax ginseng,524063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax ginseng'],4,0,5.074524164199829 126752,5453,645,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,0.43914834,ISDB,GVJHHUAWPYXKBD-IHMCZWCLSA-N,"InChI=1S/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3/t21-,22-,29+/m0/s1",Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)O2,C29H50O2,,430.3810808399999,GVJHHUAWPYXKBD,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Centranthus ruber,759056.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Centranthus'],['Centranthus ruber'],6,3,9.256593346595764 126744,5452,7,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.22096595,ISDB,TYAGAGGQBBYQMU-FPQGUNAKSA-N,"InChI=1S/C23H36O5/c1-15(10-13-24)8-9-18-16(2)19(28-17(3)25)14-20-22(18,4)11-7-12-23(20,5)21(26)27-6/h10,18-20,24H,2,7-9,11-14H2,1,3-6H3/b15-10+/t18-,19-,20+,22+,23-/m0/s1",C=C1[C@@H](OC(C)=O)C[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)OC)[C@H]1CC/C(C)=C/CO,C23H36O5,,392.2562742519999,TYAGAGGQBBYQMU,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinalia japonica,3979206.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Podochileae'],['Conchidium'],['Conchidium japonicum'],4,1,5.383863806724548 126745,5452,7,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.22096595,ISDB,TYAGAGGQBBYQMU-FPQGUNAKSA-N,"InChI=1S/C23H36O5/c1-15(10-13-24)8-9-18-16(2)19(28-17(3)25)14-20-22(18,4)11-7-12-23(20,5)21(26)27-6/h10,18-20,24H,2,7-9,11-14H2,1,3-6H3/b15-10+/t18-,19-,20+,22+,23-/m0/s1",C=C1[C@@H](OC(C)=O)C[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)OC)[C@H]1CC/C(C)=C/CO,C23H36O5,,392.2562742519999,TYAGAGGQBBYQMU,Terpenoids,Diterpenoids,Labdane diterpenoids,Conchidium japonicum,3979206.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Podochileae'],['Conchidium'],['Conchidium japonicum'],4,1,5.383863806724548 126742,5451,-1,,,,0.0,MS1_match,WGTYXIDAEFJHPD-DJSGBOIRSA-N,"InChI=1S/C25H32O11/c1-33-17-9-13(4-5-16(17)29)23-15(10-27)14-7-12(3-2-6-26)8-18(24(14)36-23)34-25-22(32)21(31)20(30)19(11-28)35-25/h4-5,7-9,15,19-23,25-32H,2-3,6,10-11H2,1H3/t15-,19+,20+,21-,22+,23+,25+/m0/s1",COc1cc([C@H]2Oc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(CCCO)cc3[C@@H]2CO)ccc1O,C25H32O11,pos_1_1proton,508.1944618439998,WGTYXIDAEFJHPD,Shikimates and Phenylpropanoids,Lignans,Neolignans,Clematis stans,21283.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis stans'],8,0,8.0 126743,5451,-1,,,,0.0,MS1_match,WGTYXIDAEFJHPD-DJSGBOIRSA-N,"InChI=1S/C25H32O11/c1-33-17-9-13(4-5-16(17)29)23-15(10-27)14-7-12(3-2-6-26)8-18(24(14)36-23)34-25-22(32)21(31)20(30)19(11-28)35-25/h4-5,7-9,15,19-23,25-32H,2-3,6,10-11H2,1H3/t15-,19+,20+,21-,22+,23+,25+/m0/s1",COc1cc([C@H]2Oc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(CCCO)cc3[C@@H]2CO)ccc1O,C25H32O11,pos_1_1proton,508.1944618439998,WGTYXIDAEFJHPD,Shikimates and Phenylpropanoids,Lignans,Neolignans,Clematis stans,21283.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis stans'],8,0,8.0 126733,5449,-1,,,,0.0,MS1_match,FRBHXYYJMYBCSK-SECHYRITSA-N,"InChI=1S/C30H46O4/c1-18(2)19-9-14-30(25(33)34)16-15-28(5)20(24(19)30)7-8-22-26(3)12-11-23(32)27(4,17-31)21(26)10-13-29(22,28)6/h19-22,24,31H,1,7-17H2,2-6H3,(H,33,34)/t19-,20+,21+,22+,24+,26-,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O4,pos_1_1proton,470.33960995199993,FRBHXYYJMYBCSK,Terpenoids,Triterpenoids,Lupane triterpenoids,Pulsatilla chinensis,34150.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Pulsatilla'],['Pulsatilla chinensis'],7,0,7.0 126734,5449,-1,,,,0.0,MS1_match,FRBHXYYJMYBCSK-SECHYRITSA-N,"InChI=1S/C30H46O4/c1-18(2)19-9-14-30(25(33)34)16-15-28(5)20(24(19)30)7-8-22-26(3)12-11-23(32)27(4,17-31)21(26)10-13-29(22,28)6/h19-22,24,31H,1,7-17H2,2-6H3,(H,33,34)/t19-,20+,21+,22+,24+,26-,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O4,pos_1_1proton,470.33960995199993,FRBHXYYJMYBCSK,Terpenoids,Triterpenoids,Lupane triterpenoids,Pulsatilla cernua,542352.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Pulsatilla'],['Pulsatilla cernua'],7,0,7.0 126735,5449,-1,,,,0.0,MS1_match,WCXZTKJFWJFMJG-UHFFFAOYSA-N,"InChI=1S/C30H46O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-22,31H,8-18H2,1-6H3,(H,33,34)",CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(=O)C(C)(CO)C5CCC43C)C2C1,C30H46O4,pos_1_1proton,470.339609952,WCXZTKJFWJFMJG,Terpenoids,Triterpenoids,Oleanane triterpenoids,Pulsatilla chinensis,34150.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Pulsatilla'],['Pulsatilla chinensis'],7,0,7.0 126736,5449,-1,,,,0.0,MS1_match,WCXZTKJFWJFMJG-AOIBKUJJSA-N,"InChI=1S/C30H46O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-22,31H,8-18H2,1-6H3,(H,33,34)/t20-,21+,22+,26-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H46O4,pos_1_1proton,470.33960995199993,WCXZTKJFWJFMJG,Terpenoids,Triterpenoids,Oleanane triterpenoids,Pulsatilla cernua,542352.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Pulsatilla'],['Pulsatilla cernua'],7,0,7.0 126737,5449,-1,,,,0.0,MS1_match,WCXZTKJFWJFMJG-AOIBKUJJSA-N,"InChI=1S/C30H46O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-22,31H,8-18H2,1-6H3,(H,33,34)/t20-,21+,22+,26-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H46O4,pos_1_1proton,470.33960995199993,WCXZTKJFWJFMJG,Terpenoids,Triterpenoids,Oleanane triterpenoids,Pulsatilla dahurica,972663.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Pulsatilla'],['Pulsatilla dahurica'],7,0,7.0 126738,5449,-1,,,,0.0,MS1_match,WCXZTKJFWJFMJG-UHFFFAOYSA-N,"InChI=1S/C30H46O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-22,31H,8-18H2,1-6H3,(H,33,34)",CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(=O)C(C)(CO)C5CCC43C)C2C1,C30H46O4,pos_1_1proton,470.339609952,WCXZTKJFWJFMJG,Terpenoids,Triterpenoids,Oleanane triterpenoids,Pulsatilla chinensis,34150.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Pulsatilla'],['Pulsatilla chinensis'],7,0,7.0 126739,5449,-1,,,,0.0,MS1_match,WCXZTKJFWJFMJG-AOIBKUJJSA-N,"InChI=1S/C30H46O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-22,31H,8-18H2,1-6H3,(H,33,34)/t20-,21+,22+,26-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H46O4,pos_1_1proton,470.33960995199993,WCXZTKJFWJFMJG,Terpenoids,Triterpenoids,Oleanane triterpenoids,Pulsatilla cernua,542352.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Pulsatilla'],['Pulsatilla cernua'],7,0,7.0 126740,5449,-1,,,,0.0,MS1_match,WCXZTKJFWJFMJG-AOIBKUJJSA-N,"InChI=1S/C30H46O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-22,31H,8-18H2,1-6H3,(H,33,34)/t20-,21+,22+,26-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H46O4,pos_1_1proton,470.33960995199993,WCXZTKJFWJFMJG,Terpenoids,Triterpenoids,Oleanane triterpenoids,Pulsatilla dahurica,972663.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Pulsatilla'],['Pulsatilla dahurica'],7,0,7.0 126724,5445,-1,,,,0.0,MS1_match,QUBNLZCADIYAFW-XAMQMYJNSA-N,"InChI=1S/C35H56O8/c1-30(2)13-15-35(29(40)41)16-14-33(5)20(21(35)17-30)7-8-24-31(3)11-10-25(43-28-27(39)26(38)22(37)18-42-28)32(4,19-36)23(31)9-12-34(24,33)6/h7,21-28,36-39H,8-19H2,1-6H3,(H,40,41)/t21-,22+,23+,24+,25-,26+,27-,28-,31-,32-,33+,34+,35-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@@H](O)[C@@H](O)[C@@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C35H56O8,pos_1_1proton,604.397518752,QUBNLZCADIYAFW,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lonicera nigra,179065.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera nigra'],8,0,8.0 126725,5445,-1,,,,0.0,MS1_match,QUBNLZCADIYAFW-XAMQMYJNSA-N,"InChI=1S/C35H56O8/c1-30(2)13-15-35(29(40)41)16-14-33(5)20(21(35)17-30)7-8-24-31(3)11-10-25(43-28-27(39)26(38)22(37)18-42-28)32(4,19-36)23(31)9-12-34(24,33)6/h7,21-28,36-39H,8-19H2,1-6H3,(H,40,41)/t21-,22+,23+,24+,25-,26+,27-,28-,31-,32-,33+,34+,35-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@@H](O)[C@@H](O)[C@@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C35H56O8,pos_1_1proton,604.397518752,QUBNLZCADIYAFW,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lonicera nigra,179065.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera nigra'],8,0,8.0 126719,5442,-1,,,,0.40188953,ISDB,,,,,,,FPBYTAJRKRENOD,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.6075581312179565 126689,5439,-1,,,,0.7823456,ISDB,YDDGKXBLOXEEMN-XAKUNQSDSA-N,"InChI=1S/C22H18O12/c23-13-5-1-11(9-15(13)25)3-7-17(27)33-19(21(29)30)20(22(31)32)34-18(28)8-4-12-2-6-14(24)16(26)10-12/h1-10,19-20,23-26H,(H,29,30)(H,31,32)/b7-3+,8-4+/t19-,20+",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](C(=O)O)[C@@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)O,C22H18O12,,474.0798260159999,YDDGKXBLOXEEMN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Pulsatilla cernua,542352.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Pulsatilla'],['Pulsatilla cernua'],7,0,10.129382371902466 126674,5438,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,OHJWWOZXCKEOGK-LZIBPDADSA-N,"InChI=1S/C47H76O16/c1-22-30(50)36(62-38-34(54)33(53)32(52)26(20-48)60-38)35(55)39(59-22)63-37-31(51)25(49)21-58-40(37)61-29-12-13-44(6)27(43(29,4)5)11-14-46(8)28(44)10-9-23-24-19-42(2,3)15-17-47(24,41(56)57)18-16-45(23,46)7/h9,22,24-40,48-55H,10-21H2,1-8H3,(H,56,57)/t22-,24-,25-,26+,27-,28+,29-,30-,31-,32+,33-,34+,35+,36+,37+,38-,39-,40-,44-,45+,46+,47+/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@]4(C)[C@H]5CC=C6[C@@H]7CC(C)(C)CC[C@@]7(C(=O)O)CC[C@@]6(C)[C@]5(C)CC[C@H]4C3(C)C)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C47H76O16,pos_1_1proton,896.513336352,OHJWWOZXCKEOGK,Terpenoids,Triterpenoids,Oleanane triterpenoids,Pulsatilla chinensis,34150.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Pulsatilla'],['Pulsatilla chinensis'],7,3,8.5 126675,5438,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,OHJWWOZXCKEOGK-YDOLDEOXSA-N,"InChI=1S/C47H76O16/c1-22-30(50)36(62-38-34(54)33(53)32(52)26(20-48)60-38)35(55)39(59-22)63-37-31(51)25(49)21-58-40(37)61-29-12-13-44(6)27(43(29,4)5)11-14-46(8)28(44)10-9-23-24-19-42(2,3)15-17-47(24,41(56)57)18-16-45(23,46)7/h9,22,24-40,48-55H,10-21H2,1-8H3,(H,56,57)/t22-,24-,25-,26+,27-,28+,29-,30-,31-,32+,33-,34+,35+,36+,37+,38-,39-,40-,44-,45+,46+,47-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@]4(C)[C@H]5CC=C6[C@@H]7CC(C)(C)CC[C@]7(C(=O)O)CC[C@@]6(C)[C@]5(C)CC[C@H]4C3(C)C)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C47H76O16,pos_1_1proton,896.5133363520001,OHJWWOZXCKEOGK,Terpenoids,Triterpenoids,Oleanane triterpenoids,Pulsatilla cernua,542352.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Pulsatilla'],['Pulsatilla cernua'],7,3,8.5 126676,5438,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,OHJWWOZXCKEOGK-LZIBPDADSA-N,"InChI=1S/C47H76O16/c1-22-30(50)36(62-38-34(54)33(53)32(52)26(20-48)60-38)35(55)39(59-22)63-37-31(51)25(49)21-58-40(37)61-29-12-13-44(6)27(43(29,4)5)11-14-46(8)28(44)10-9-23-24-19-42(2,3)15-17-47(24,41(56)57)18-16-45(23,46)7/h9,22,24-40,48-55H,10-21H2,1-8H3,(H,56,57)/t22-,24-,25-,26+,27-,28+,29-,30-,31-,32+,33-,34+,35+,36+,37+,38-,39-,40-,44-,45+,46+,47+/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@]4(C)[C@H]5CC=C6[C@@H]7CC(C)(C)CC[C@@]7(C(=O)O)CC[C@@]6(C)[C@]5(C)CC[C@H]4C3(C)C)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C47H76O16,pos_1_1proton,896.513336352,OHJWWOZXCKEOGK,Terpenoids,Triterpenoids,Oleanane triterpenoids,Pulsatilla chinensis,34150.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Pulsatilla'],['Pulsatilla chinensis'],7,3,8.5 126677,5438,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,OHJWWOZXCKEOGK-YDOLDEOXSA-N,"InChI=1S/C47H76O16/c1-22-30(50)36(62-38-34(54)33(53)32(52)26(20-48)60-38)35(55)39(59-22)63-37-31(51)25(49)21-58-40(37)61-29-12-13-44(6)27(43(29,4)5)11-14-46(8)28(44)10-9-23-24-19-42(2,3)15-17-47(24,41(56)57)18-16-45(23,46)7/h9,22,24-40,48-55H,10-21H2,1-8H3,(H,56,57)/t22-,24-,25-,26+,27-,28+,29-,30-,31-,32+,33-,34+,35+,36+,37+,38-,39-,40-,44-,45+,46+,47-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@]4(C)[C@H]5CC=C6[C@@H]7CC(C)(C)CC[C@]7(C(=O)O)CC[C@@]6(C)[C@]5(C)CC[C@H]4C3(C)C)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C47H76O16,pos_1_1proton,896.5133363520001,OHJWWOZXCKEOGK,Terpenoids,Triterpenoids,Oleanane triterpenoids,Pulsatilla cernua,542352.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Pulsatilla'],['Pulsatilla cernua'],7,3,8.5 126678,5438,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,FYSAXYBPXKLMJO-IFECXJOTSA-N,"InChI=1S/C47H76O16/c1-22-30(49)33(52)35(54)38(59-22)63-37-32(51)26(61-39-36(55)34(53)31(50)25(20-48)60-39)21-58-40(37)62-29-12-13-44(6)27(43(29,4)5)11-14-46(8)28(44)10-9-23-24-19-42(2,3)15-17-47(24,41(56)57)18-16-45(23,46)7/h9,22,24-40,48-55H,10-21H2,1-8H3,(H,56,57)/t22-,24-,25+,26-,27-,28+,29-,30-,31+,32-,33+,34-,35+,36+,37+,38-,39-,40-,44-,45+,46+,47-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@]4(C)[C@H]5CC=C6[C@@H]7CC(C)(C)CC[C@]7(C(=O)O)CC[C@@]6(C)[C@]5(C)CC[C@H]4C3(C)C)OC[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C47H76O16,pos_1_1proton,896.5133363520004,FYSAXYBPXKLMJO,Terpenoids,Triterpenoids,Oleanane triterpenoids,Pulsatilla chinensis,34150.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Pulsatilla'],['Pulsatilla chinensis'],7,3,8.5 126679,5438,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,FYSAXYBPXKLMJO-IFECXJOTSA-N,"InChI=1S/C47H76O16/c1-22-30(49)33(52)35(54)38(59-22)63-37-32(51)26(61-39-36(55)34(53)31(50)25(20-48)60-39)21-58-40(37)62-29-12-13-44(6)27(43(29,4)5)11-14-46(8)28(44)10-9-23-24-19-42(2,3)15-17-47(24,41(56)57)18-16-45(23,46)7/h9,22,24-40,48-55H,10-21H2,1-8H3,(H,56,57)/t22-,24-,25+,26-,27-,28+,29-,30-,31+,32-,33+,34-,35+,36+,37+,38-,39-,40-,44-,45+,46+,47-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@]4(C)[C@H]5CC=C6[C@@H]7CC(C)(C)CC[C@]7(C(=O)O)CC[C@@]6(C)[C@]5(C)CC[C@H]4C3(C)C)OC[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C47H76O16,pos_1_1proton,896.5133363520004,FYSAXYBPXKLMJO,Terpenoids,Triterpenoids,Oleanane triterpenoids,Pulsatilla cernua,542352.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Pulsatilla'],['Pulsatilla cernua'],7,3,8.5 126680,5438,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,BWNBCQHJURTQKQ-ADNOESIESA-N,"InChI=1S/C47H76O16/c1-22-30(50)32(52)37(63-39-34(54)31(51)25(20-48)59-39)40(58-22)62-36-26(21-49)60-38(35(55)33(36)53)61-29-12-13-44(6)27(43(29,4)5)11-14-46(8)28(44)10-9-23-24-19-42(2,3)15-17-47(24,41(56)57)18-16-45(23,46)7/h9,22,24-40,48-55H,10-21H2,1-8H3,(H,56,57)/t22-,24-,25-,26+,27-,28+,29-,30-,31-,32+,33+,34+,35+,36+,37+,38-,39-,40-,44-,45+,46+,47-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3CC[C@]4(C)[C@H]5CC=C6[C@@H]7CC(C)(C)CC[C@]7(C(=O)O)CC[C@@]6(C)[C@]5(C)CC[C@H]4C3(C)C)O[C@@H]2CO)[C@H](O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O,C47H76O16,pos_1_1proton,896.513336352,BWNBCQHJURTQKQ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Anemone multifida,896056.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Anemone'],['Anemone multifida'],7,3,8.5 126681,5438,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,BWNBCQHJURTQKQ-ADNOESIESA-N,"InChI=1S/C47H76O16/c1-22-30(50)32(52)37(63-39-34(54)31(51)25(20-48)59-39)40(58-22)62-36-26(21-49)60-38(35(55)33(36)53)61-29-12-13-44(6)27(43(29,4)5)11-14-46(8)28(44)10-9-23-24-19-42(2,3)15-17-47(24,41(56)57)18-16-45(23,46)7/h9,22,24-40,48-55H,10-21H2,1-8H3,(H,56,57)/t22-,24-,25-,26+,27-,28+,29-,30-,31-,32+,33+,34+,35+,36+,37+,38-,39-,40-,44-,45+,46+,47-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3CC[C@]4(C)[C@H]5CC=C6[C@@H]7CC(C)(C)CC[C@]7(C(=O)O)CC[C@@]6(C)[C@]5(C)CC[C@H]4C3(C)C)O[C@@H]2CO)[C@H](O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O,C47H76O16,pos_1_1proton,896.513336352,BWNBCQHJURTQKQ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Anemone narcissiflora,896053.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Anemone'],['Anemone narcissiflora'],7,3,8.5 126682,5438,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,BWNBCQHJURTQKQ-ADNOESIESA-N,"InChI=1S/C47H76O16/c1-22-30(50)32(52)37(63-39-34(54)31(51)25(20-48)59-39)40(58-22)62-36-26(21-49)60-38(35(55)33(36)53)61-29-12-13-44(6)27(43(29,4)5)11-14-46(8)28(44)10-9-23-24-19-42(2,3)15-17-47(24,41(56)57)18-16-45(23,46)7/h9,22,24-40,48-55H,10-21H2,1-8H3,(H,56,57)/t22-,24-,25-,26+,27-,28+,29-,30-,31-,32+,33+,34+,35+,36+,37+,38-,39-,40-,44-,45+,46+,47-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3CC[C@]4(C)[C@H]5CC=C6[C@@H]7CC(C)(C)CC[C@]7(C(=O)O)CC[C@@]6(C)[C@]5(C)CC[C@H]4C3(C)C)O[C@@H]2CO)[C@H](O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O,C47H76O16,pos_1_1proton,896.513336352,BWNBCQHJURTQKQ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Anemonastrum narcissiflorum,896053.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Anemone'],['Anemone narcissiflora'],7,3,8.5 126637,5437,90,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.45248938,ISDB,NYLNHNDMNOPWAZ-ZLEFDVGRSA-N,"InChI=1S/C19H32O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h7,11,13-18,20,22-24H,5-6,8-9H2,1-4H3/t11-,13+,14-,15-,16+,17-,18-/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1CC[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O7,,372.2148033639999,NYLNHNDMNOPWAZ,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Epimedium grandiflorum,655264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Berberidaceae'],['Unknown'],['Epimedium'],['Epimedium grandiflorum'],5,3,8.309957504272461 126638,5437,90,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.45248938,ISDB,NYLNHNDMNOPWAZ-MLONCLLVSA-N,"InChI=1S/C19H32O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h7,11,13-18,20,22-24H,5-6,8-9H2,1-4H3/t11-,13-,14-,15-,16+,17-,18-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@H]1CC[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O7,,372.2148033639999,NYLNHNDMNOPWAZ,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Epimedium sagittatum,175143.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Berberidaceae'],['Unknown'],['Epimedium'],['Epimedium sagittatum'],5,3,8.309957504272461 126621,5434,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.20454258,ISDB,KMSBNWQKGSLQFA-FVQPYGJLSA-N,"InChI=1S/C42H68O13/c1-21-28(45)30(47)32(49)34(52-21)55-33-31(48)29(46)24(19-43)53-35(33)54-27-11-12-38(4)25(39(27,5)20-44)10-13-41(7)26(38)9-8-22-23-18-37(2,3)14-16-42(23,36(50)51)17-15-40(22,41)6/h8,21,23-35,43-49H,9-20H2,1-7H3,(H,50,51)/t21-,23-,24+,25+,26+,27-,28-,29+,30+,31-,32+,33+,34-,35-,38-,39-,40+,41+,42-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)CC[C@]6(C(=O)O)CC[C@]45C)[C@]3(C)CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C42H68O13,,780.4659922360003,KMSBNWQKGSLQFA,Terpenoids,Triterpenoids,Oleanane triterpenoids,Stauntonia hexaphylla,822368.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Lardizabalaceae'],['Lardizabaleae'],['Stauntonia'],['Stauntonia hexaphylla'],5,3,7.3181703090667725 126614,5432,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.30223918,ISDB,DLHGNEVRISSXIV-UHFFFAOYSA-N,"InChI=1S/C10H8O3/c1-6-5-9(12)7-3-2-4-8(11)10(7)13-6/h2-5,11H,1H3",Cc1cc(=O)c2cccc(O)c2o1,C10H8O3,,176.047344116,DLHGNEVRISSXIV,Polyketides,Chromanes,Chromones,Halenia elliptica,862722.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Gentianaceae'],['Gentianeae'],['Halenia'],['Halenia elliptica'],4,0,5.208956718444824 126600,5431,204,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.27988416,ISDB,DKVQOAMBVKKPAM-MDZDMXLPSA-N,"InChI=1S/C13H16O/c1-4-13(2,3)10-9-11-5-7-12(14)8-6-11/h4-10,14H,1H2,2-3H3/b10-9+",C=CC(C)(C)/C=C/c1ccc(O)cc1,C13H16O,,188.120115132,DKVQOAMBVKKPAM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cullen corylifolium,541330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Psoraleeae'],['Cullen'],['Cullen corylifolium'],4,3,6.619536638259888 126601,5431,204,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.27988416,ISDB,DKVQOAMBVKKPAM-MDZDMXLPSA-N,"InChI=1S/C13H16O/c1-4-13(2,3)10-9-11-5-7-12(14)8-6-11/h4-10,14H,1H2,2-3H3/b10-9+",C=CC(C)(C)/C=C/c1ccc(O)cc1,C13H16O,,188.120115132,DKVQOAMBVKKPAM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cullen corylifolia,541330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Psoraleeae'],['Cullen'],['Cullen corylifolium'],4,3,6.619536638259888 126591,5430,-1,,,,0.65723616,ISDB,CKWHKLRCBIYFOZ-UHFFFAOYSA-N,"InChI=1S/C19H20O11/c20-7-13-15(24)16(25)17(26)19(30-13)29-10-3-1-9(2-4-10)28-18(27)8-5-11(21)14(23)12(22)6-8/h1-6,13,15-17,19-26H,7H2",O=C(Oc1ccc(OC2OC(CO)C(O)C(O)C2O)cc1)c1cc(O)c(O)c(O)c1,C19H20O11,,424.10056146,CKWHKLRCBIYFOZ,Polyketides,Aromatic polyketides,Depsides,Arctostaphylos uva-ursi,100960.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ericaceae'],['Unknown'],['Arctostaphylos'],['Arctostaphylos uva-ursi'],4,0,6.628944635391235 126588,5426,-1,,,,0.0,MS1_match,WEAUPFXXCUHVAE-MKMMZYOTSA-N,"InChI=1S/C26H28O11/c1-3-11(2)26(34)37-25-22(33)21(32)18(10-27)36-24(25)20-15(30)8-14(29)19-16(31)9-17(35-23(19)20)12-4-6-13(28)7-5-12/h4-9,11,18,21-22,24-25,27-30,32-33H,3,10H2,1-2H3/t11-,18+,21+,22-,24-,25+/m0/s1",CC[C@H](C)C(=O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1c1c(O)cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc12,C26H28O11,pos_1_1proton1ammonium,516.163161716,WEAUPFXXCUHVAE,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Trollius ledebourii,841872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Adonideae'],['Trollius'],['Trollius ledebouri'],6,0,6.0 126589,5426,-1,,,,0.0,MS1_match,WEAUPFXXCUHVAE-MKMMZYOTSA-N,"InChI=1S/C26H28O11/c1-3-11(2)26(34)37-25-22(33)21(32)18(10-27)36-24(25)20-15(30)8-14(29)19-16(31)9-17(35-23(19)20)12-4-6-13(28)7-5-12/h4-9,11,18,21-22,24-25,27-30,32-33H,3,10H2,1-2H3/t11-,18+,21+,22-,24-,25+/m0/s1",CC[C@H](C)C(=O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1c1c(O)cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc12,C26H28O11,pos_1_1proton1ammonium,516.163161716,WEAUPFXXCUHVAE,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Trollius ledebouri,841872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Adonideae'],['Trollius'],['Trollius ledebouri'],6,0,6.0 126587,5421,1770,Fatty acids,Fatty Acids and Conjugates,,0.21283555,ISDB,,,,,,,FIXDIFPJOFIIEC,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.8513422012329102 126585,5419,-1,,,,0.0,MS1_match,IMNHFZIFCBHSQR-RWKYFSGOSA-N,"InChI=1S/C48H74O20/c1-22-41(66-36-16-31(52)42(23(2)62-36)67-37-17-32(59-5)43(24(3)63-37)68-44-40(56)39(55)38(54)33(19-49)65-44)30(51)15-35(61-22)64-26-6-11-46(21-50)28-7-10-45(4)27(25-14-34(53)60-20-25)9-13-48(45,58)29(28)8-12-47(46,57)18-26/h14,21-24,26-33,35-44,49,51-52,54-58H,6-13,15-20H2,1-5H3/t22-,23-,24-,26+,27-,28+,29-,30+,31+,32-,33-,35+,36+,37+,38-,39+,40-,41-,42-,43+,44+,45-,46+,47+,48+/m1/s1",CO[C@@H]1C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@]5(C=O)[C@H]6CC[C@]7(C)[C@@H](C8=CC(=O)OC8)CC[C@]7(O)[C@@H]6CC[C@]5(O)C4)O[C@@H]3C)O[C@@H]2C)O[C@H](C)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C48H74O20,pos_2_1proton1sodium,970.477344768,IMNHFZIFCBHSQR,Terpenoids,Steroids,Cardenolides,Adonis aestivalis,585229.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Adonideae'],['Adonis'],['Adonis aestivalis'],6,0,6.0 126586,5419,-1,,,,0.0,MS1_match,IMNHFZIFCBHSQR-GTRACWGGSA-N,"InChI=1S/C48H74O20/c1-22-41(66-36-16-31(52)42(23(2)62-36)67-37-17-32(59-5)43(24(3)63-37)68-44-40(56)39(55)38(54)33(19-49)65-44)30(51)15-35(61-22)64-26-6-11-46(21-50)28-7-10-45(4)27(25-14-34(53)60-20-25)9-13-48(45,58)29(28)8-12-47(46,57)18-26/h14,21-24,26-33,35-44,49,51-52,54-58H,6-13,15-20H2,1-5H3/t22-,23-,24-,26+,27-,28?,29?,30+,31+,32-,33-,35+,36+,37+,38-,39+,40-,41-,42-,43-,44+,45-,46+,47+,48+/m1/s1",CO[C@@H]1C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@]5(C=O)C6CC[C@]7(C)[C@@H](C8=CC(=O)OC8)CC[C@]7(O)C6CC[C@]5(O)C4)O[C@@H]3C)O[C@@H]2C)O[C@H](C)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C48H74O20,pos_2_1proton1sodium,970.477344768,IMNHFZIFCBHSQR,Terpenoids,Steroids,Cardenolides,Adonis aleppica,6130911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Adonideae'],['Adonis'],['Adonis aleppica'],6,0,6.0 126440,5416,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,PGOYMURMZNDHNS-MYPRUECHSA-N,"InChI=1S/C30H48O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O4,pos_1_1proton,472.355260016,PGOYMURMZNDHNS,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis vitalba,756499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis vitalba'],8,3,9.5 126441,5416,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,PGOYMURMZNDHNS-MYPRUECHSA-N,"InChI=1S/C30H48O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O4,pos_1_1proton,472.355260016,PGOYMURMZNDHNS,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis chinensis,841986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis chinensis'],8,3,9.5 126442,5416,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,PGOYMURMZNDHNS-MYPRUECHSA-N,"InChI=1S/C30H48O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O4,pos_1_1proton,472.355260016,PGOYMURMZNDHNS,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis chinensis,841986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis chinensis'],8,3,9.5 126443,5416,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,PGOYMURMZNDHNS-MYPRUECHSA-N,"InChI=1S/C30H48O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O4,pos_1_1proton,472.355260016,PGOYMURMZNDHNS,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis vitalba,756499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis vitalba'],8,3,9.5 126439,5415,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.23187423,ISDB,YEQBGJNMHDZXRG-NMTUBSNHSA-N,"InChI=1S/C27H40O2/c1-17-10-14-27(28-16-17)18(2)24-23(29-27)15-22-20-9-8-19-7-5-6-12-25(19,3)21(20)11-13-26(22,24)4/h5,7-8,17-18,20-24H,6,9-16H2,1-4H3/t17-,18+,20-,21-,22-,23+,24+,25-,26+,27-/m0/s1",C[C@H]1CC[C@]2(OC1)O[C@@H]1C[C@H]3[C@H]4CC=C5C=CCC[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]1[C@H]2C,C27H40O2,,396.30283051999993,YEQBGJNMHDZXRG,Terpenoids,Steroids,Spirostane steroids,Trigonella foenum-graecum,1007994.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Trigonella'],['Trigonella foenum-graecum'],4,1,5.427496910095215 126438,5411,-1,,,,0.0,MS1_match,IVEJLNJNUGZYTG-UKMCQSRUSA-N,"InChI=1S/C24H23N3O7/c28-10-17-19(29)20(30)21(31)24(34-17)33-11-5-6-12-13-7-8-27-22(18(13)25-16(12)9-11)26-15-4-2-1-3-14(15)23(27)32/h1-6,9,17,19-21,24-25,28-31H,7-8,10H2/t17-,19-,20+,21-,24-/m1/s1",O=c1c2ccccc2nc2n1CCc1c-2[nH]c2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc12,C24H23N3O7,pos_1_minus1proton2sodium,465.1536000759999,IVEJLNJNUGZYTG,Alkaloids,Tryptophan alkaloids,Carboline alkaloids,Ranunculus ternatus,685195.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus ternatus'],6,0,6.0 126412,5409,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.4455656,ISDB,MYQAIYGVAHDZRD-JUIQTESCSA-N,"InChI=1S/C29H44O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-11,13,19-21,23,25,27,30H,7,12,14-18H2,1-6H3/b9-8+/t20-,21-,23+,25-,27+,28+,29-/m1/s1",CC[C@H](/C=C/[C@@H](C)[C@H]1CC=C2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C,C29H44O,,408.339216028,MYQAIYGVAHDZRD,Terpenoids,Steroids,Ergostane steroids,Actinidia chinensis var. deliciosa,279986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Actinidiaceae'],['Unknown'],['Actinidia'],['Actinidia deliciosa'],4,1,6.282262444496155 126411,5408,25,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.24544212,ISDB,,,,,,,QFVKRCNWCDNNRR,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.9817684888839722 126410,5404,106,,,,0.39444405,ISDB,,,,,,,NSRUZMAXAKXRDE,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.5777761936187744 126294,5402,1367,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.4912401,ISDB,MKXRDMJASCUCQK-UXBPWJOGSA-N,"InChI=1S/C21H28O9/c1-8-5-12(23)14-9(2)20(27)30-19(14)15-10(3-4-11(8)15)7-28-21-18(26)17(25)16(24)13(6-22)29-21/h3,12-19,21-26H,2,4-7H2,1H3/t12-,13+,14+,15-,16+,17-,18+,19-,21+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=CCC3=C(C)C[C@H](O)[C@@H]12,C21H28O9,,424.173332476,MKXRDMJASCUCQK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Crepidiastrum lanceolatum,537526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Crepidiastrum'],['Crepidiastrum lanceolatum'],4,3,7.46496045589447 126293,5400,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,BOPNBEMHPYANDR-QSHXVNPLSA-N,"InChI=1S/C17H22O11/c1-5(20)10-6(21)2-7(22)11(13(10)24)15-9(4-19)26-16-14(25)12(23)8(3-18)27-17(16)28-15/h2,8-9,12,14-19,21-25H,3-4H2,1H3/t8-,9+,12-,14+,15-,16-,17+/m1/s1",CC(=O)c1c(O)cc(O)c([C@@H]2O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@H]2CO)c1O,C17H22O11,pos_1_1proton1methanol,402.116211524,BOPNBEMHPYANDR,Polyketides,Phloroglucinols,Acyl phloroglucinols,Eriocapitella tomentosa,5737682.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Anemone'],['Anemone tomentosa'],7,0,7.0 126283,5399,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,YQUVCSBJEUQKSH-UHFFFAOYSA-N,"InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)",O=C(O)c1ccc(O)c(O)c1,C7H6O4,pos_2MH,154.026608672,YQUVCSBJEUQKSH,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Clematis hexapetala,226633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis hexapetala'],8,1,8.5 126282,5398,-1,,,,0.0,MS1_match,AZUURFWEIQDHCN-MZGJNUFDSA-N,"InChI=1S/C40H44O22/c1-14-25(46)29(50)31(52)38(55-14)56-17-10-20(45)24-21(11-17)57-33(16-7-8-18(43)19(44)9-16)35(28(24)49)61-40-36(30(51)26(47)22(12-41)59-40)62-39-32(53)34(27(48)23(13-42)58-39)60-37(54)15-5-3-2-4-6-15/h2-11,14,22-23,25-27,29-32,34,36,38-48,50-53H,12-13H2,1H3/t14-,22+,23+,25-,26+,27+,29+,30-,31+,32+,34-,36+,38+,39-,40-/m1/s1",C[C@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O[C@H]4O[C@@H](CO)[C@H](O)[C@@H](OC(=O)c5ccccc5)[C@@H]4O)c(-c4ccc(O)c(O)c4)oc3c2)[C@@H](O)[C@@H](O)[C@@H]1O,C40H44O22,pos_1_sodium,876.232423048,AZUURFWEIQDHCN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Delphinium carolinianum,529153.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium carolinianum'],6,0,6.0 126281,5396,-1,,,,0.0,MS1_match,OGOVVRHSMHRFIK-MYEWIJLCSA-N,"InChI=1S/C22H22O12/c1-32-15-8-11(9-16(33-2)18(15)26)4-6-17(25)34-19(20(27)28)22(31,21(29)30)10-12-3-5-13(23)14(24)7-12/h3-9,19,23-24,26,31H,10H2,1-2H3,(H,27,28)(H,29,30)/b6-4+/t19-,22-/m1/s1",COc1cc(/C=C/C(=O)O[C@H](C(=O)O)[C@](O)(Cc2ccc(O)c(O)c2)C(=O)O)cc(OC)c1O,C22H22O12,pos_1_1proton1acetonitrile,478.1111261439999,OGOVVRHSMHRFIK,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Actaea dahurica,462227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea dahurica'],6,0,6.0 126280,5391,-1,,,,0.4983094,ISDB,RWNMKVWJIWFKJP-DIACKHNESA-N,"InChI=1S/C14H18O9/c1-6-13(8(16)3-4-20-6)23-14-12(19)11(18)10(17)9(22-14)5-21-7(2)15/h3-4,9-12,14,17-19H,5H2,1-2H3/t9-,10-,11+,12-,14+/m1/s1",CC(=O)OC[C@H]1O[C@@H](Oc2c(C)occc2=O)[C@H](O)[C@@H](O)[C@@H]1O,C14H18O9,,330.095082156,RWNMKVWJIWFKJP,Polyketides,,,Prangos pabularia,795193.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Unknown'],['Prangos'],['Prangos pabularia'],4,0,5.993237614631653 126279,5390,-1,,,,0.0,MS1_match,VVSLYQRZDNZIIV-HNNQEYCLSA-N,"InChI=1S/C21H26O12/c1-29-12-6-10(2-4-11(12)23)3-5-16(24)30-9-15-13(7-17(25)31-15)32-21-20(28)19(27)18(26)14(8-22)33-21/h2-6,13-15,18-23,26-28H,7-9H2,1H3/b5-3+/t13-,14+,15+,18+,19-,20+,21+/m0/s1",COc1cc(/C=C/C(=O)OC[C@H]2OC(=O)C[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C21H26O12,pos_1_1proton1acetonitrile,470.142426272,VVSLYQRZDNZIIV,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis terniflora var. mandshurica,446556.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis terniflora'],8,0,8.0 126278,5389,18,Alkaloids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,FEJTUHSIRAJLOJ-UHFFFAOYSA-N,"InChI=1S/C13H14N2O3/c1-8-6-9-11(10(16)7-8)12(13(17)18)15-5-3-2-4-14(9)15/h6-7H,2-5H2,1H3,(H,17,18)",Cc1cc2n3n(c(C(=O)O)c-2c(=O)c1)CCCC3,C13H14N2O3,pos_2MHNH3,246.100442308,FEJTUHSIRAJLOJ,Alkaloids,,,Nigella sativa,142360.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Nigelleae'],['Nigella'],['Nigella sativa'],6,1,6.5 126271,5388,-1,,,,0.0,MS1_match,WQGWDDDVZFFDIG-UHFFFAOYSA-N,"InChI=1S/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H",Oc1cccc(O)c1O,C6H6O3,pos_1_1proton,126.031694052,WQGWDDDVZFFDIG,Shikimates and Phenylpropanoids,,,Nigella glandulifera,5737891.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Nigelleae'],['Nigella'],['Nigella glandulifera'],6,0,6.0 126272,5388,-1,,,,0.0,MS1_match,WQGWDDDVZFFDIG-UHFFFAOYSA-N,"InChI=1S/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H",Oc1cccc(O)c1O,C6H6O3,pos_1_1proton,126.031694052,WQGWDDDVZFFDIG,Shikimates and Phenylpropanoids,,,Nigella sativa,142360.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Nigelleae'],['Nigella'],['Nigella sativa'],6,0,6.0 126273,5388,-1,,,,0.0,MS1_match,NOEGNKMFWQHSLB-UHFFFAOYSA-N,"InChI=1S/C6H6O3/c7-3-5-1-2-6(4-8)9-5/h1-3,8H,4H2",O=Cc1ccc(CO)o1,C6H6O3,pos_1_1proton,126.031694052,NOEGNKMFWQHSLB,Polyketides,Cyclic polyketides,Furans,Hydrastis canadensis,1072050.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Hydrastis'],['Hydrastis canadensis'],6,0,6.0 126274,5388,-1,,,,0.0,MS1_match,XPCTZQVDEJYUGT-UHFFFAOYSA-N,"InChI=1S/C6H6O3/c1-4-6(8)5(7)2-3-9-4/h2-3,8H,1H3",Cc1occc(=O)c1O,C6H6O3,pos_1_1proton,126.031694052,XPCTZQVDEJYUGT,Polyketides,Cyclic polyketides,4-pyrone derivatives,Aconitum lethale,6131432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum lethale'],6,0,6.0 126275,5388,-1,,,,0.0,MS1_match,XPCTZQVDEJYUGT-UHFFFAOYSA-N,"InChI=1S/C6H6O3/c1-4-6(8)5(7)2-3-9-4/h2-3,8H,1H3",Cc1occc(=O)c1O,C6H6O3,pos_1_1proton,126.031694052,XPCTZQVDEJYUGT,Polyketides,Cyclic polyketides,4-pyrone derivatives,Aconitum falconeri,6131385.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum falconeri'],6,0,6.0 126276,5388,-1,,,,0.0,MS1_match,BCPJJFPKMVYIOS-HWKANZROSA-N,"InChI=1S/C12H12O6/c1-17-10-4-2-8(6-9(10)13)3-5-12(16)18-7-11(14)15/h2-6,13H,7H2,1H3,(H,14,15)/b5-3+",COc1ccc(/C=C/C(=O)OCC(=O)O)cc1O,C12H12O6,pos_2_2proton,252.063388104,BCPJJFPKMVYIOS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Actaea simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],6,0,6.0 126277,5388,-1,,,,0.0,MS1_match,BCPJJFPKMVYIOS-HWKANZROSA-N,"InChI=1S/C12H12O6/c1-17-10-4-2-8(6-9(10)13)3-5-12(16)18-7-11(14)15/h2-6,13H,7H2,1H3,(H,14,15)/b5-3+",COc1ccc(/C=C/C(=O)OCC(=O)O)cc1O,C12H12O6,pos_2_2proton,252.063388104,BCPJJFPKMVYIOS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cimicifuga simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],6,0,6.0 126267,5384,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,YDDGKXBLOXEEMN-XAKUNQSDSA-N,"InChI=1S/C22H18O12/c23-13-5-1-11(9-15(13)25)3-7-17(27)33-19(21(29)30)20(22(31)32)34-18(28)8-4-12-2-6-14(24)16(26)10-12/h1-10,19-20,23-26H,(H,29,30)(H,31,32)/b7-3+,8-4+/t19-,20+",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](C(=O)O)[C@@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)O,C22H18O12,pos_2MHNH3,474.0798260159999,YDDGKXBLOXEEMN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Pulsatilla cernua,542352.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Pulsatilla'],['Pulsatilla cernua'],7,3,8.5 126268,5384,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,YDDGKXBLOXEEMN-XAKUNQSDSA-N,"InChI=1S/C22H18O12/c23-13-5-1-11(9-15(13)25)3-7-17(27)33-19(21(29)30)20(22(31)32)34-18(28)8-4-12-2-6-14(24)16(26)10-12/h1-10,19-20,23-26H,(H,29,30)(H,31,32)/b7-3+,8-4+/t19-,20+",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](C(=O)O)[C@@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)O,C22H18O12,pos_2MHNH3,474.0798260159999,YDDGKXBLOXEEMN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Pulsatilla cernua,542352.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Pulsatilla'],['Pulsatilla cernua'],7,3,8.5 126242,5383,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QAIPRVGONGVQAS-DUXPYHPUSA-N,"InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+",O=C(O)/C=C/c1ccc(O)c(O)c1,C9H8O4,pos_1_1proton,180.042258736,QAIPRVGONGVQAS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis vitalba,756499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis vitalba'],9,3,10.5 126240,5379,217,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.76699597,ISDB,DPTUTXWBBUARQB-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-2-6-4-5-8(11)12-9(6)7/h1-5,10H",O=c1ccc2cccc(O)c2o1,C9H6O3,,162.031694052,DPTUTXWBBUARQB,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Murraya paniculata,81668.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Murraya'],['Murraya paniculata'],4,3,8.567983865737915 126241,5379,217,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.76699597,ISDB,DPTUTXWBBUARQB-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-2-6-4-5-8(11)12-9(6)7/h1-5,10H",O=c1ccc2cccc(O)c2o1,C9H6O3,,162.031694052,DPTUTXWBBUARQB,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Murraya exotica,755734.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Murraya'],['Murraya exotica'],4,3,8.567983865737915 126237,5378,144,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,0.20063996,ISDB,OQUSJSFJUXJRDA-RGNLDTJCSA-N,"InChI=1S/C29H36O3/c1-21(2)7-5-8-22(3)9-6-10-23(4)11-18-27-28(31)19-25(20-29(27)32)13-12-24-14-16-26(30)17-15-24/h7,9,11-17,19-20,30-32H,5-6,8,10,18H2,1-4H3/b13-12+,22-9+,23-11+",CC(C)=CCC/C(C)=C/CC/C(C)=C/Cc1c(O)cc(/C=C/c2ccc(O)cc2)cc1O,C29H36O3,,432.2664450119999,OQUSJSFJUXJRDA,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Macaranga schweinfurthii,339743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Macaranga'],['Macaranga schweinfurthii'],4,3,6.302559852600098 126223,5376,219,Fatty acids,Fatty acyls,Fatty aldehydes,0.63550794,ISDB,GBHKLFZDHYFGKG-UHFFFAOYSA-N,"InChI=1S/C26H46O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-21-25(27)23(2)26(28)22-24/h21-22,27-28H,3-20H2,1-2H3",CCCCCCCCCCCCCCCCCCCc1cc(O)c(C)c(O)c1,C26H46O2,,390.3497807119999,GBHKLFZDHYFGKG,Polyketides,Aromatic polyketides,Catechols with side chains,Polygonum glaucum,5746666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Polygonaceae'],['Polygoneae'],['Polygonum'],['Polygonum glaucum'],4,0,6.542031764984131 126224,5376,219,Fatty acids,Fatty acyls,Fatty aldehydes,0.63550794,ISDB,GBHKLFZDHYFGKG-UHFFFAOYSA-N,"InChI=1S/C26H46O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-21-25(27)23(2)26(28)22-24/h21-22,27-28H,3-20H2,1-2H3",CCCCCCCCCCCCCCCCCCCc1cc(O)c(C)c(O)c1,C26H46O2,,390.3497807119999,GBHKLFZDHYFGKG,Polyketides,Aromatic polyketides,Catechols with side chains,Polygonum maritimum,338759.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Polygonaceae'],['Polygoneae'],['Polygonum'],['Polygonum maritimum'],4,0,6.542031764984131 125488,5374,-1,,,,0.20611899,ISDB,FVWJYYTZTCVBKE-ROUWMTJPSA-N,"InChI=1S/C30H50O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h20-25,31-32H,1,8-18H2,2-7H3/t20-,21+,22-,23+,24-,25+,27-,28+,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H50O2,,442.38108084,FVWJYYTZTCVBKE,Terpenoids,Triterpenoids,Lupane triterpenoids,Valeriana laxiflora,844983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana laxiflora'],6,0,6.824475944042206 125487,5371,-1,,,,0.0,MS1_match,NPFVOOAXDOBMCE-PLNGDYQASA-N,"InChI=1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h4-5H,3,6-7H2,1-2H3/b5-4-",CC/C=C\CCOC(C)=O,C8H14O2,pos_2MHCH3CN,142.099379688,NPFVOOAXDOBMCE,Fatty acids,Fatty esters,Wax monoesters,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 125477,5368,-1,,,,0.0,MS1_match,RTATXGUCZHCSNG-QHWHWDPRSA-N,"InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O15,pos_1_1potassium,594.15847026,RTATXGUCZHCSNG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 125478,5368,-1,,,,0.0,MS1_match,SHPPXMGVUDNKLV-UHFFFAOYSA-N,"InChI=1S/C27H30O15/c1-9-20(33)22(35)24(37)26(38-9)42-25-23(36)21(34)18(8-28)41-27(25)39-11-5-14(31)19-15(32)7-16(40-17(19)6-11)10-2-3-12(29)13(30)4-10/h2-7,9,18,20-31,33-37H,8H2,1H3",CC1OC(OC2C(Oc3cc(O)c4c(=O)cc(-c5ccc(O)c(O)c5)oc4c3)OC(CO)C(O)C2O)C(O)C(O)C1O,C27H30O15,pos_1_1potassium,594.15847026,SHPPXMGVUDNKLV,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 125479,5368,-1,,,,0.0,MS1_match,SHPPXMGVUDNKLV-CTZRMUNLSA-N,"InChI=1S/C27H30O15/c1-9-20(33)22(35)24(37)26(38-9)42-25-23(36)21(34)18(8-28)41-27(25)39-11-5-14(31)19-15(32)7-16(40-17(19)6-11)10-2-3-12(29)13(30)4-10/h2-7,9,18,20-31,33-37H,8H2,1H3/t9-,18+,20-,21+,22+,23-,24+,25+,26-,27?/m0/s1",C[C@@H]1O[C@@H](O[C@H]2C(Oc3cc(O)c4c(=O)cc(-c5ccc(O)c(O)c5)oc4c3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O15,pos_1_1potassium,594.15847026,SHPPXMGVUDNKLV,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Lonicera gracilipes,920854.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera gracilipes'],7,0,7.0 125480,5368,-1,,,,0.0,MS1_match,SHPPXMGVUDNKLV-UHFFFAOYSA-N,"InChI=1S/C27H30O15/c1-9-20(33)22(35)24(37)26(38-9)42-25-23(36)21(34)18(8-28)41-27(25)39-11-5-14(31)19-15(32)7-16(40-17(19)6-11)10-2-3-12(29)13(30)4-10/h2-7,9,18,20-31,33-37H,8H2,1H3",CC1OC(OC2C(Oc3cc(O)c4c(=O)cc(-c5ccc(O)c(O)c5)oc4c3)OC(CO)C(O)C2O)C(O)C(O)C1O,C27H30O15,pos_1_1potassium,594.15847026,SHPPXMGVUDNKLV,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 125481,5368,-1,,,,0.0,MS1_match,SHPPXMGVUDNKLV-CTZRMUNLSA-N,"InChI=1S/C27H30O15/c1-9-20(33)22(35)24(37)26(38-9)42-25-23(36)21(34)18(8-28)41-27(25)39-11-5-14(31)19-15(32)7-16(40-17(19)6-11)10-2-3-12(29)13(30)4-10/h2-7,9,18,20-31,33-37H,8H2,1H3/t9-,18+,20-,21+,22+,23-,24+,25+,26-,27?/m0/s1",C[C@@H]1O[C@@H](O[C@H]2C(Oc3cc(O)c4c(=O)cc(-c5ccc(O)c(O)c5)oc4c3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O15,pos_1_1potassium,594.15847026,SHPPXMGVUDNKLV,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Lonicera gracilipes,920854.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera gracilipes'],7,0,7.0 125482,5368,-1,,,,0.0,MS1_match,USNPULRDBDVJAO-YRBSALHSSA-O,"InChI=1S/C27H30O15/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,28,29,30,31)/p+1/t9-,18+,19-,20+,21-,22+,23+,24+,26+,27+/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O)cc(O)cc4[o+]c3-c3ccc(O)c(O)c3)[C@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O,C27H31O15+,pos_1_1potassium,595.16574671209,USNPULRDBDVJAO,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],7,0,7.0 125483,5368,-1,,,,0.0,MS1_match,XDMJJZUUHWWITI-IPOZFMEPSA-N,"InChI=1S/C27H30O15/c28-8-17-20(32)22(34)24(36)26(41-17)38-9-18-21(33)23(35)25(37)27(42-18)39-12-5-13(30)19-14(31)7-15(40-16(19)6-12)10-1-3-11(29)4-2-10/h1-7,17-18,20-30,32-37H,8-9H2/t17-,18-,20-,21-,22+,23+,24-,25-,26-,27-/m1/s1",O=c1cc(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C27H30O15,pos_1_1potassium,594.15847026,XDMJJZUUHWWITI,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Lonicera gracilipes,920854.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera gracilipes'],7,0,7.0 125476,5367,1031,Fatty acids,Fatty Acids and Conjugates,Carbocyclic fatty acids,0.35383677,ISDB,,,,,,,LSASWUQIGCOCHW,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.4153470993041992 125474,5366,-1,,,,0.0,MS1_match,PRCDDNKVZQBPNG-YBWZTWLNSA-N,"InChI=1S/C18H30O3/c1-11-9-14(20-12(2)19)15-17(11,5)10-13-7-8-18(15,6)21-16(13,3)4/h11,13-15H,7-10H2,1-6H3/t11-,13-,14-,15-,17-,18+/m1/s1",CC(=O)O[C@@H]1C[C@@H](C)[C@@]2(C)C[C@H]3CC[C@](C)(OC3(C)C)[C@H]12,C18H30O3,pos_2MNa,294.21949482,PRCDDNKVZQBPNG,Terpenoids,Sesquiterpenoids,,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 125472,5364,-1,,,,0.0,MS1_match,CTNPHHZPAJYPFO-QFLJTSPFSA-N,"InChI=1S/C42H64O19/c1-19-35(60-38-34(51)32(49)36(27(16-44)59-38)61-37-33(50)31(48)30(47)26(15-43)58-37)25(54-3)13-29(56-19)57-21-4-9-40(18-45)23-5-8-39(2)22(20-12-28(46)55-17-20)7-11-42(39,53)24(23)6-10-41(40,52)14-21/h12,18-19,21-27,29-38,43-44,47-53H,4-11,13-17H2,1-3H3/t19-,21+,22-,23+,24-,25+,26-,27-,29+,30-,31+,32-,33-,34-,35-,36-,37+,38+,39-,40+,41+,42+/m1/s1",CO[C@H]1C[C@H](O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)O[C@H](C)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O,C42H64O19,pos_2_2sodium,872.404179828,CTNPHHZPAJYPFO,Terpenoids,Steroids,Cardenolides,Adonis mongolica,6130927.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Adonideae'],['Adonis'],['Adonis mongolica'],6,0,6.0 125473,5364,-1,,,,0.0,MS1_match,GILGYKHFZXQALF-FBPIOBPTSA-N,"InChI=1S/C42H64O19/c1-19-36(61-38-35(51)33(49)31(47)27(60-38)17-56-37-34(50)32(48)30(46)26(15-43)59-37)25(54-3)13-29(57-19)58-21-4-9-40(18-44)23-5-8-39(2)22(20-12-28(45)55-16-20)7-11-42(39,53)24(23)6-10-41(40,52)14-21/h12,18-19,21-27,29-38,43,46-53H,4-11,13-17H2,1-3H3/t19-,21+,22-,23+,24-,25+,26-,27-,29+,30-,31-,32+,33+,34-,35-,36-,37-,38+,39-,40+,41+,42+/m1/s1",CO[C@H]1C[C@H](O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)O[C@H](C)[C@H]1O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C42H64O19,pos_2_2sodium,872.4041798280001,GILGYKHFZXQALF,Terpenoids,Steroids,Cardenolides,Adonis mongolica,6130927.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Adonideae'],['Adonis'],['Adonis mongolica'],6,0,6.0 125455,5360,86,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,KPDVIKCSTOVVEA-KZFFKTSUSA-N,"InChI=1S/C53H86O22/c1-23-32(58)41(74-44-38(64)36(62)40(28(20-55)71-44)73-43-37(63)35(61)34(60)27(19-54)70-43)39(65)45(69-23)75-42-33(59)26(57)21-68-46(42)72-31-11-12-49(4)29(50(31,5)22-56)10-13-52(7)30(49)9-8-24-25-18-48(2,3)14-16-53(25,47(66)67)17-15-51(24,52)6/h8,23,25-46,54-65H,9-22H2,1-7H3,(H,66,67)/t23-,25-,26-,27+,28+,29+,30+,31-,32-,33-,34+,35-,36+,37+,38+,39+,40+,41+,42+,43-,44-,45-,46-,49-,50-,51+,52+,53-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)CC[C@]6(C(=O)O)CC[C@]45C)[C@]3(C)CO)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H]1O,C53H86O22,pos_2_2sodium,1074.561074392,KPDVIKCSTOVVEA,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,1,7.5 125456,5360,86,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,UIMSMPXWHBZAKD-DJCLAPGVSA-N,"InChI=1S/C53H86O22/c1-23-32(57)36(61)40(65)44(70-23)74-42-38(63)35(60)28(21-69-43-39(64)33(58)26(56)20-68-43)72-46(42)75-47(67)53-16-14-48(2,3)18-25(53)24-8-9-30-49(4)12-11-31(73-45-41(66)37(62)34(59)27(19-54)71-45)50(5,22-55)29(49)10-13-52(30,7)51(24,6)15-17-53/h8,23,25-46,54-66H,9-22H2,1-7H3/t23-,25-,26-,27+,28+,29+,30+,31-,32-,33+,34+,35+,36+,37-,38-,39+,40+,41+,42+,43+,44-,45-,46-,49-,50-,51+,52+,53-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](OC(=O)[C@]34CCC(C)(C)C[C@H]3C3=CC[C@@H]5[C@@]6(C)CC[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@](C)(CO)[C@@H]6CC[C@@]5(C)[C@]3(C)CC4)O[C@H](CO[C@H]3OC[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C53H86O22,pos_2_2sodium,1074.561074392,UIMSMPXWHBZAKD,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,1,7.5 125457,5360,86,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,GFPLPBCJRRNZHM-ICUGHKHQSA-N,"InChI=1S/C53H86O22/c1-23-32(57)36(61)40(65)44(70-23)74-42-33(58)26(56)20-68-46(42)73-31-11-12-49(4)29(50(31,5)22-55)10-13-52(7)30(49)9-8-24-25-18-48(2,3)14-16-53(25,17-15-51(24,52)6)47(67)75-45-41(66)38(63)35(60)28(72-45)21-69-43-39(64)37(62)34(59)27(19-54)71-43/h8,23,25-46,54-66H,9-22H2,1-7H3/t23-,25-,26-,27+,28+,29+,30+,31-,32-,33-,34+,35+,36+,37-,38-,39+,40+,41+,42+,43+,44-,45-,46-,49-,50-,51+,52+,53-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)CC[C@]6(C(=O)O[C@@H]6O[C@H](CO[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]45C)[C@]3(C)CO)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C53H86O22,pos_2_2sodium,1074.5610743920006,GFPLPBCJRRNZHM,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,1,7.5 125458,5360,86,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,FNNMEJXCIARVCO-ZZSPFVKRSA-N,"InChI=1S/C53H86O22/c1-48(2)14-16-53(47(67)75-45-41(66)38(63)35(60)28(72-45)22-69-43-39(64)36(61)33(58)26(19-54)70-43)17-15-51(6)23(24(53)18-48)8-9-30-50(5)12-11-31(49(3,4)29(50)10-13-52(30,51)7)73-46-42(32(57)25(56)21-68-46)74-44-40(65)37(62)34(59)27(20-55)71-44/h8,24-46,54-66H,9-22H2,1-7H3/t24-,25+,26+,27+,28+,29-,30+,31-,32+,33+,34+,35+,36-,37-,38-,39+,40+,41+,42-,43+,44-,45-,46-,50-,51+,52+,53-/m0/s1",CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@@H](O)[C@@H](O)[C@@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C53H86O22,pos_2_2sodium,1074.561074392,FNNMEJXCIARVCO,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lonicera nigra,179065.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera nigra'],7,1,7.5 125459,5360,86,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,FNNMEJXCIARVCO-WGCVIKQWSA-N,"InChI=1S/C53H86O22/c1-48(2)14-16-53(47(67)75-45-41(66)38(63)35(60)28(72-45)22-69-43-39(64)36(61)33(58)26(19-54)70-43)17-15-51(6)23(24(53)18-48)8-9-30-50(5)12-11-31(49(3,4)29(50)10-13-52(30,51)7)73-46-42(32(57)25(56)21-68-46)74-44-40(65)37(62)34(59)27(20-55)71-44/h8,24-46,54-66H,9-22H2,1-7H3/t24-,25-,26+,27+,28+,29-,30+,31-,32-,33+,34+,35+,36-,37-,38-,39+,40+,41+,42+,43+,44-,45-,46-,50-,51+,52+,53-/m0/s1",CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C53H86O22,pos_2_2sodium,1074.5610743920004,FNNMEJXCIARVCO,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,1,7.5 125460,5360,86,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,GFPLPBCJRRNZHM-ICUGHKHQSA-N,"InChI=1S/C53H86O22/c1-23-32(57)36(61)40(65)44(70-23)74-42-33(58)26(56)20-68-46(42)73-31-11-12-49(4)29(50(31,5)22-55)10-13-52(7)30(49)9-8-24-25-18-48(2,3)14-16-53(25,17-15-51(24,52)6)47(67)75-45-41(66)38(63)35(60)28(72-45)21-69-43-39(64)37(62)34(59)27(19-54)71-43/h8,23,25-46,54-66H,9-22H2,1-7H3/t23-,25-,26-,27+,28+,29+,30+,31-,32-,33-,34+,35+,36+,37-,38-,39+,40+,41+,42+,43+,44-,45-,46-,49-,50-,51+,52+,53-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)CC[C@]6(C(=O)O[C@@H]6O[C@H](CO[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]45C)[C@]3(C)CO)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C53H86O22,pos_2_2sodium,1074.5610743920006,GFPLPBCJRRNZHM,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lonicera macrantha,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,1,7.5 125461,5360,86,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,FNNMEJXCIARVCO-WGCVIKQWSA-N,"InChI=1S/C53H86O22/c1-48(2)14-16-53(47(67)75-45-41(66)38(63)35(60)28(72-45)22-69-43-39(64)36(61)33(58)26(19-54)70-43)17-15-51(6)23(24(53)18-48)8-9-30-50(5)12-11-31(49(3,4)29(50)10-13-52(30,51)7)73-46-42(32(57)25(56)21-68-46)74-44-40(65)37(62)34(59)27(20-55)71-44/h8,24-46,54-66H,9-22H2,1-7H3/t24-,25-,26+,27+,28+,29-,30+,31-,32-,33+,34+,35+,36-,37-,38-,39+,40+,41+,42+,43+,44-,45-,46-,50-,51+,52+,53-/m0/s1",CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C53H86O22,pos_2_2sodium,1074.5610743920004,FNNMEJXCIARVCO,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,1,7.5 125462,5360,86,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,KPDVIKCSTOVVEA-KZFFKTSUSA-N,"InChI=1S/C53H86O22/c1-23-32(58)41(74-44-38(64)36(62)40(28(20-55)71-44)73-43-37(63)35(61)34(60)27(19-54)70-43)39(65)45(69-23)75-42-33(59)26(57)21-68-46(42)72-31-11-12-49(4)29(50(31,5)22-56)10-13-52(7)30(49)9-8-24-25-18-48(2,3)14-16-53(25,47(66)67)17-15-51(24,52)6/h8,23,25-46,54-65H,9-22H2,1-7H3,(H,66,67)/t23-,25-,26-,27+,28+,29+,30+,31-,32-,33-,34+,35-,36+,37+,38+,39+,40+,41+,42+,43-,44-,45-,46-,49-,50-,51+,52+,53-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)CC[C@]6(C(=O)O)CC[C@]45C)[C@]3(C)CO)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H]1O,C53H86O22,pos_2_2sodium,1074.561074392,KPDVIKCSTOVVEA,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,1,7.5 125463,5360,86,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,FNNMEJXCIARVCO-ZZSPFVKRSA-N,"InChI=1S/C53H86O22/c1-48(2)14-16-53(47(67)75-45-41(66)38(63)35(60)28(72-45)22-69-43-39(64)36(61)33(58)26(19-54)70-43)17-15-51(6)23(24(53)18-48)8-9-30-50(5)12-11-31(49(3,4)29(50)10-13-52(30,51)7)73-46-42(32(57)25(56)21-68-46)74-44-40(65)37(62)34(59)27(20-55)71-44/h8,24-46,54-66H,9-22H2,1-7H3/t24-,25+,26+,27+,28+,29-,30+,31-,32+,33+,34+,35+,36-,37-,38-,39+,40+,41+,42-,43+,44-,45-,46-,50-,51+,52+,53-/m0/s1",CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@@H](O)[C@@H](O)[C@@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C53H86O22,pos_2_2sodium,1074.561074392,FNNMEJXCIARVCO,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lonicera nigra,179065.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera nigra'],7,1,7.5 125376,5359,94,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.2520164,ISDB,XFYJEZCEBAVINO-GGLMBGNOSA-N,"InChI=1S/C17H26O3/c1-11(10-19-13(3)18)9-14-6-5-12(2)15-7-8-16(4)17(14,15)20-16/h9,12,14-15H,5-8,10H2,1-4H3/b11-9+/t12-,14+,15-,16+,17-/m1/s1",CC(=O)OC/C(C)=C/[C@@H]1CC[C@@H](C)[C@H]2CC[C@]3(C)O[C@]123,C17H26O3,,278.188194692,XFYJEZCEBAVINO,Terpenoids,Sesquiterpenoids,Arteminisin,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,7.008065581321716 125375,5354,-1,,,,0.0,MS1_match,ZBRRQHJHHZFGNX-YQPXDFNPSA-N,"InChI=1S/C24H32NO10/c1-3-15-16(7-6-14-5-4-8-25(11-14)9-10-26)17(22(31)32-2)13-33-23(15)35-24-21(30)20(29)19(28)18(12-27)34-24/h3-8,11,13,15-16,18-21,23-24,26-30H,1,9-10,12H2,2H3/q+1/b7-6+/t15-,16+,18-,19-,20+,21-,23+,24+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1/C=C/c1ccc[n+](CCO)c1,C24H32NO10+,pos_1_1proton1methanol,494.20207264409,ZBRRQHJHHZFGNX,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 125347,5351,-1,,,,0.26758593,ISDB,FTUGJEDDHXBMPK-NDEPHWFRSA-N,"InChI=1S/C28H40O3/c1-19(2)9-11-23-17-25(18-24(26(23)30-8)12-10-20(3)4)27(29)31-28(21(5)6)15-13-22(7)14-16-28/h9-10,13,17-18,21H,11-12,14-16H2,1-8H3/t28-/m0/s1",COc1c(CC=C(C)C)cc(C(=O)O[C@@]2(C(C)C)CC=C(C)CC2)cc1CC=C(C)C,C28H40O3,,424.29774514,FTUGJEDDHXBMPK,Terpenoids,,,Piper aduncum,110421.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper aduncum'],4,0,5.070343732833862 125123,5348,-1,,,,0.6082631,ISDB,RGSJIRHIGRUMOQ-FKAKKMJLSA-N,"InChI=1S/C21H32O3/c1-13-6-7-19-20(2,3)8-5-9-21(19,4)16(13)12-18(24)15-10-14(22)11-17(15)23/h6,10,16-19,23-24H,5,7-9,11-12H2,1-4H3/t16-,17-,18-,19-,21+/m1/s1",CC1=CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1C[C@@H](O)C1=CC(=O)C[C@H]1O,C21H32O3,,332.235144884,RGSJIRHIGRUMOQ,Terpenoids,Diterpenoids,,Ageratum fastigiatum,5920790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Ageratum'],['Ageratum fastigiatum'],4,0,6.43305230140686 125122,5339,-1,,,,0.23593277,ISDB,QVUGVMYAQOTVMJ-OALUTQOASA-N,"InChI=1S/C21H21N3O3/c1-24-19(10-13-6-8-15(25)9-7-13)20(26)23-18(21(24)27)11-14-12-22-17-5-3-2-4-16(14)17/h2-9,12,18-19,22,25H,10-11H2,1H3,(H,23,26)/t18-,19-/m0/s1",CN1C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]1Cc1ccc(O)cc1,C21H21N3O3,,363.158291532,QVUGVMYAQOTVMJ,Amino acids and Peptides,Small peptides,Dipeptides,Aspergillus,550772.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Aspergillus'],['Unknown'],1,0,1.9437310695648193 125120,5338,183,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.21540405,ISDB,YJPSPAUZXUUWRY-SSBOKUKZSA-N,"InChI=1S/C29H60O3/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-23-25-28(31)29(32)26-27(30)24-22-8-6-4-2/h27-32H,3-26H2,1-2H3/t27-,28+,29-/m1/s1",CCCCCCCCCCCCCCCCCCC[C@H](O)[C@H](O)C[C@H](O)CCCCCC,C29H60O3,,456.45424578,YJPSPAUZXUUWRY,Fatty acids,Fatty acyls,Fatty alcohols,Typha angustifolia,17923.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Typhaceae'],['Unknown'],['Typha'],['Typha angustifolia'],4,1,5.3616161942481995 125119,5337,-1,,,,0.0,MS1_match,SQWBLOVFMFTTHY-CUQQVVPFSA-N,"InChI=1S/C26H31NO13/c1-2-15-16(6-5-13-8-14(23(34)35)10-27(9-13)7-3-4-19(29)30)17(24(36)37)12-38-25(15)40-26-22(33)21(32)20(31)18(11-28)39-26/h2,5-6,8-10,12,15-16,18,20-22,25-26,28,31-33H,1,3-4,7,11H2,(H2-,29,30,34,35,36,37)/b6-5+/t15-,16+,18-,20-,21+,22-,25+,26+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)[O-])[C@H]1/C=C/c1cc(C(=O)O)c[n+](CCCC(=O)O)c1,C26H31NO13,pos_1_1proton1acetonitrile,565.179540052,SQWBLOVFMFTTHY,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 125117,5329,553,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WKOLLVMJNQIZCI-UHFFFAOYSA-N,"InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)",COc1cc(C(=O)O)ccc1O,C8H8O4,pos_2MH,168.042258736,WKOLLVMJNQIZCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Dipsacus inermis,776357.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Dipsacus'],['Dipsacus inermis'],6,3,7.5 125118,5329,553,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WKOLLVMJNQIZCI-UHFFFAOYSA-N,"InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)",COc1cc(C(=O)O)ccc1O,C8H8O4,pos_2MH,168.042258736,WKOLLVMJNQIZCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Dipsacus asper,365911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Dipsacus'],['Dipsacus asper'],6,3,7.5 125116,5322,-1,,,,0.0,MS1_match,JIHQLTXNRUMMRM-IYTWNDGFSA-N,"InChI=1S/C18H32O8/c19-11-13-15(21)16(22)17(23)18(26-13)24-10-6-4-2-1-3-5-7-12-8-9-14(20)25-12/h12-13,15-19,21-23H,1-11H2/t12-,13-,15-,16+,17-,18-/m1/s1",O=C1CC[C@@H](CCCCCCCCO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O1,C18H32O8,pos_1_1proton1acetonitrile,376.2097179839999,JIHQLTXNRUMMRM,Fatty acids,Fatty esters,Lactones,Salacia chinensis,380833.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Salacia'],['Salacia chinensis'],6,0,6.0 125110,5319,1,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,HUVIXLWRQSMCLN-PXRCHJMLSA-N,"InChI=1S/C19H30O11/c1-5-9-10(6-13(25-2)26-3)11(17(24)27-4)8-28-18(9)30-19-16(23)15(22)14(21)12(7-20)29-19/h5,8-10,12-16,18-23H,1,6-7H2,2-4H3/t9-,10+,12-,14-,15+,16-,18+,19+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC(OC)OC,C19H30O11,pos_1_1proton1ammonium,434.1788117799998,HUVIXLWRQSMCLN,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],7,2,8.0 125111,5319,1,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,HUVIXLWRQSMCLN-PXRCHJMLSA-N,"InChI=1S/C19H30O11/c1-5-9-10(6-13(25-2)26-3)11(17(24)27-4)8-28-18(9)30-19-16(23)15(22)14(21)12(7-20)29-19/h5,8-10,12-16,18-23H,1,6-7H2,2-4H3/t9-,10+,12-,14-,15+,16-,18+,19+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC(OC)OC,C19H30O11,pos_1_1proton1ammonium,434.1788117799998,HUVIXLWRQSMCLN,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,2,8.0 125112,5319,1,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,HUVIXLWRQSMCLN-UHFFFAOYSA-N,"InChI=1S/C19H30O11/c1-5-9-10(6-13(25-2)26-3)11(17(24)27-4)8-28-18(9)30-19-16(23)15(22)14(21)12(7-20)29-19/h5,8-10,12-16,18-23H,1,6-7H2,2-4H3",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC(OC)OC,C19H30O11,pos_1_1proton1ammonium,434.17881178,HUVIXLWRQSMCLN,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera,649885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Unknown'],7,2,8.0 125113,5319,1,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,HUVIXLWRQSMCLN-PXRCHJMLSA-N,"InChI=1S/C19H30O11/c1-5-9-10(6-13(25-2)26-3)11(17(24)27-4)8-28-18(9)30-19-16(23)15(22)14(21)12(7-20)29-19/h5,8-10,12-16,18-23H,1,6-7H2,2-4H3/t9-,10+,12-,14-,15+,16-,18+,19+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC(OC)OC,C19H30O11,pos_1_1proton1ammonium,434.1788117799998,HUVIXLWRQSMCLN,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],7,2,8.0 125114,5319,1,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,HUVIXLWRQSMCLN-PXRCHJMLSA-N,"InChI=1S/C19H30O11/c1-5-9-10(6-13(25-2)26-3)11(17(24)27-4)8-28-18(9)30-19-16(23)15(22)14(21)12(7-20)29-19/h5,8-10,12-16,18-23H,1,6-7H2,2-4H3/t9-,10+,12-,14-,15+,16-,18+,19+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC(OC)OC,C19H30O11,pos_1_1proton1ammonium,434.1788117799998,HUVIXLWRQSMCLN,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,2,8.0 125115,5319,1,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,HUVIXLWRQSMCLN-UHFFFAOYSA-N,"InChI=1S/C19H30O11/c1-5-9-10(6-13(25-2)26-3)11(17(24)27-4)8-28-18(9)30-19-16(23)15(22)14(21)12(7-20)29-19/h5,8-10,12-16,18-23H,1,6-7H2,2-4H3",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC(OC)OC,C19H30O11,pos_1_1proton1ammonium,434.17881178,HUVIXLWRQSMCLN,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera,649885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Unknown'],7,2,8.0 125101,5318,73,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.31398684,ISDB,UWYUUTATFZTCJJ-UHFFFAOYSA-N,"InChI=1S/C44H74O12S/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(46)56-40(35-53-44-43(49)42(48)41(47)37(54-44)36-57(50,51)52)55-38(45)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20,22,26,28,37,40-44,47-49H,3-4,6,8-10,12,14-16,19,21,23-25,27,29-36H2,1-2H3,(H,50,51,52)",CCC=CCC=CCC=CCC=CCC=CCCCC(=O)OC(COC1OC(CS(=O)(=O)O)C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCCCC,C44H74O12S,,826.490098808,UWYUUTATFZTCJJ,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Porphyra yezoensis,726215.0,['Eukaryota'],['Archaeplastida'],['Rhodophyta'],['Unknown'],['Bangiales'],['Bangiaceae'],['Unknown'],['Pyropia'],['Pyropia yezoensis'],2,0,3.2559473514556885 125056,5317,29,Terpenoids,Triterpenoids,"Carotenoids (C40, Ψ-Ψ)",0.5714827,ISDB,IVGYNKMUKVTWBT-ZNABNZNXSA-N,"InChI=1S/C30H48/c1-20(2)21-11-13-28(6)22(21)12-14-30(8)25(28)10-9-23-24-19-26(3,4)15-16-27(24,5)17-18-29(23,30)7/h9,12,20-21,24-25H,10-11,13-19H2,1-8H3/t21-,24+,25-,27-,28+,29-,30-/m1/s1",CC(C)[C@H]1CC[C@@]2(C)C1=CC[C@]1(C)[C@@H]2CC=C2[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@]21C,C30H48,,408.375601536,IVGYNKMUKVTWBT,Terpenoids,Triterpenoids,Fernane and Arborinane triterpenoids,Viburnum opulus,117453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Adoxaceae'],['Unknown'],['Viburnum'],['Viburnum opulus'],5,2,8.285930871963501 125035,5314,-1,,,,0.0,MS1_match,YTZSBJLNMIQROD-UHFFFAOYSA-N,"InChI=1S/C17H26O11/c1-6-11-7(3-10(19)26-6)8(15(23)24-2)5-25-16(11)28-17-14(22)13(21)12(20)9(4-18)27-17/h5-7,9-14,16-22H,3-4H2,1-2H3",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(C)OC(O)CC12,C17H26O11,pos_1_1potassium,406.1475116519998,YTZSBJLNMIQROD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera tatarica var. morrowii,484242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],8,0,8.0 125036,5314,-1,,,,0.0,MS1_match,YTZSBJLNMIQROD-UHFFFAOYSA-N,"InChI=1S/C17H26O11/c1-6-11-7(3-10(19)26-6)8(15(23)24-2)5-25-16(11)28-17-14(22)13(21)12(20)9(4-18)27-17/h5-7,9-14,16-22H,3-4H2,1-2H3",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(C)OC(O)CC12,C17H26O11,pos_1_1potassium,406.1475116519998,YTZSBJLNMIQROD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera morrowii,484242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],8,0,8.0 125037,5314,-1,,,,0.0,MS1_match,YTZSBJLNMIQROD-UHFFFAOYSA-N,"InChI=1S/C17H26O11/c1-6-11-7(3-10(19)26-6)8(15(23)24-2)5-25-16(11)28-17-14(22)13(21)12(20)9(4-18)27-17/h5-7,9-14,16-22H,3-4H2,1-2H3",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(C)OC(O)CC12,C17H26O11,pos_1_1potassium,406.1475116519998,YTZSBJLNMIQROD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera tatarica var. morrowii,484242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],8,0,8.0 125038,5314,-1,,,,0.0,MS1_match,YTZSBJLNMIQROD-RZYLQQLPSA-N,"InChI=1S/C17H26O11/c1-6-11-7(3-10(19)26-6)8(15(23)24-2)5-25-16(11)28-17-14(22)13(21)12(20)9(4-18)27-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6?,7-,9?,10?,11-,12?,13?,14?,16?,17?/m1/s1",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)[C@@H]2C(C)OC(O)C[C@H]12,C17H26O11,pos_1_1potassium,406.147511652,YTZSBJLNMIQROD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera alpigena,920868.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera alpigena'],8,0,8.0 125039,5314,-1,,,,0.0,MS1_match,YTZSBJLNMIQROD-UHFFFAOYSA-N,"InChI=1S/C17H26O11/c1-6-11-7(3-10(19)26-6)8(15(23)24-2)5-25-16(11)28-17-14(22)13(21)12(20)9(4-18)27-17/h5-7,9-14,16-22H,3-4H2,1-2H3",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(C)OC(O)CC12,C17H26O11,pos_1_1potassium,406.1475116519998,YTZSBJLNMIQROD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera morrowii,484242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],8,0,8.0 125040,5314,-1,,,,0.0,MS1_match,YTZSBJLNMIQROD-UHFFFAOYSA-N,"InChI=1S/C17H26O11/c1-6-11-7(3-10(19)26-6)8(15(23)24-2)5-25-16(11)28-17-14(22)13(21)12(20)9(4-18)27-17/h5-7,9-14,16-22H,3-4H2,1-2H3",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(C)OC(O)CC12,C17H26O11,pos_1_1potassium,406.1475116519998,YTZSBJLNMIQROD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera tatarica var. morrowii,484242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],8,0,8.0 125041,5314,-1,,,,0.0,MS1_match,YTZSBJLNMIQROD-RZYLQQLPSA-N,"InChI=1S/C17H26O11/c1-6-11-7(3-10(19)26-6)8(15(23)24-2)5-25-16(11)28-17-14(22)13(21)12(20)9(4-18)27-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6?,7-,9?,10?,11-,12?,13?,14?,16?,17?/m1/s1",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)[C@@H]2C(C)OC(O)C[C@H]12,C17H26O11,pos_1_1potassium,406.147511652,YTZSBJLNMIQROD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera alpigena,920868.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera alpigena'],8,0,8.0 125042,5314,-1,,,,0.0,MS1_match,YTZSBJLNMIQROD-UHFFFAOYSA-N,"InChI=1S/C17H26O11/c1-6-11-7(3-10(19)26-6)8(15(23)24-2)5-25-16(11)28-17-14(22)13(21)12(20)9(4-18)27-17/h5-7,9-14,16-22H,3-4H2,1-2H3",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(C)OC(O)CC12,C17H26O11,pos_1_1potassium,406.1475116519998,YTZSBJLNMIQROD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera morrowii,484242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],8,0,8.0 125043,5314,-1,,,,0.0,MS1_match,YTZSBJLNMIQROD-RZYLQQLPSA-N,"InChI=1S/C17H26O11/c1-6-11-7(3-10(19)26-6)8(15(23)24-2)5-25-16(11)28-17-14(22)13(21)12(20)9(4-18)27-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6?,7-,9?,10?,11-,12?,13?,14?,16?,17?/m1/s1",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)[C@@H]2C(C)OC(O)C[C@H]12,C17H26O11,pos_1_1potassium,406.147511652,YTZSBJLNMIQROD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera alpigena,920868.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera alpigena'],8,0,8.0 124971,5313,498,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,AMBQHHVBBHTQBF-UOUCRYGSSA-N,"InChI=1S/C17H26O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6-,7+,9-,10+,11+,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](C)[C@@H](O)C[C@H]12,C17H26O10,pos_1_1proton1ammonium,390.1525970319999,AMBQHHVBBHTQBF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera periclymenum,811893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera periclymenum'],8,3,9.5 124972,5313,498,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,AMBQHHVBBHTQBF-UOUCRYGSSA-N,"InChI=1S/C17H26O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6-,7+,9-,10+,11+,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](C)[C@@H](O)C[C@H]12,C17H26O10,pos_1_1proton1ammonium,390.1525970319999,AMBQHHVBBHTQBF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera periclymenum,811893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera periclymenum'],8,3,9.5 124969,5305,-1,,,,0.0,MS1_match,CRSFLLTWRCYNNX-QBNNUVSCSA-N,"InChI=1S/C16H18O10/c1-23-7-4-6-2-3-9(18)25-14(6)15(11(7)20)26-16-13(22)12(21)10(19)8(5-17)24-16/h2-4,8,10,12-13,16-17,19-22H,5H2,1H3/t8-,10-,12+,13-,16+/m1/s1",COc1cc2ccc(=O)oc2c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1O,C16H18O10,pos_1_1potassium,370.0899967759999,CRSFLLTWRCYNNX,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Weigela subsessilis,82213.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Weigela'],['Weigela subsessilis'],6,0,6.0 124970,5305,-1,,,,0.0,MS1_match,CRSFLLTWRCYNNX-QBNNUVSCSA-N,"InChI=1S/C16H18O10/c1-23-7-4-6-2-3-9(18)25-14(6)15(11(7)20)26-16-13(22)12(21)10(19)8(5-17)24-16/h2-4,8,10,12-13,16-17,19-22H,5H2,1H3/t8-,10-,12+,13-,16+/m1/s1",COc1cc2ccc(=O)oc2c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1O,C16H18O10,pos_1_1potassium,370.0899967759999,CRSFLLTWRCYNNX,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Weigela subsessilis,82213.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Weigela'],['Weigela subsessilis'],6,0,6.0 124968,5300,-1,,,,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Scabiosa comosa,984352.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Scabiosa'],['Scabiosa comosa'],6,0,6.0 124948,5298,-1,,,,0.30251583,ISDB,CHZSVNLGISWUMU-NFAFBBCCSA-N,"InChI=1S/C29H34O11/c1-23-10-18-25(3)29-19(23)20(31)28(40-29,36-11-15(23)21(32)37-18)14-8-17-27(38-17)9-12(35-4)7-16(30)24(27,2)13(14)5-6-26(29,34)22(33)39-25/h12-15,17-19,34H,5-11H2,1-4H3/t12-,13+,14-,15+,17-,18-,19+,23-,24+,25+,26-,27-,28-,29+/m1/s1",CO[C@@H]1CC(=O)[C@]2(C)[C@H]3CC[C@@]4(O)C(=O)O[C@@]5(C)[C@H]6C[C@]7(C)[C@@H](CO[C@@]8(O[C@]45[C@H]7C8=O)[C@@H]3C[C@H]3O[C@]32C1)C(=O)O6,C29H34O11,,558.210111908,CHZSVNLGISWUMU,Terpenoids,Steroids,Ergostane steroids,Physalis angulata,12537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis angulata'],4,0,5.210063338279724 124946,5297,62,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.39679524,ISDB,,,,,,,LTBQYBFNCXAVEB,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.5871809720993042 124801,5296,88,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.55890906,ISDB,ZCKDCRKBURQZPT-UHFFFAOYSA-N,"InChI=1S/C9H10O3/c10-5-1-2-7-3-4-8(11)9(12)6-7/h1-4,6,10-12H,5H2",OCC=Cc1ccc(O)c(O)c1,C9H10O3,,166.06299418,ZCKDCRKBURQZPT,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],4,3,7.735636234283447 124790,5294,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.29730165,ISDB,DLHGNEVRISSXIV-UHFFFAOYSA-N,"InChI=1S/C10H8O3/c1-6-5-9(12)7-3-2-4-8(11)10(7)13-6/h2-5,11H,1H3",Cc1cc(=O)c2cccc(O)c2o1,C10H8O3,,176.047344116,DLHGNEVRISSXIV,Polyketides,Chromanes,Chromones,Halenia elliptica,862722.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Gentianaceae'],['Gentianeae'],['Halenia'],['Halenia elliptica'],4,0,5.189206600189209 124785,5293,942,Polyketides,Cyclic polyketides,Chromones,0.0,MS1_match,YMKQLZWZRFMJBN-UHFFFAOYSA-N,"InChI=1S/C21H26O11/c1-21(2,28)14-4-9-11(31-14)5-12-15(16(9)24)10(23)3-8(30-12)7-29-20-19(27)18(26)17(25)13(6-22)32-20/h3,5,13-14,17-20,22,24-28H,4,6-7H2,1-2H3",CC(C)(O)C1Cc2c(cc3oc(COC4OC(CO)C(O)C(O)C4O)cc(=O)c3c2O)O1,C21H26O11,pos_1_1proton1acetonitrile,454.147511652,YMKQLZWZRFMJBN,Polyketides,Chromanes,Chromones,Actaea cimicifuga,988720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea cimicifuga'],6,3,7.5 124786,5293,942,Polyketides,Cyclic polyketides,Chromones,0.0,MS1_match,YMKQLZWZRFMJBN-UHFFFAOYSA-N,"InChI=1S/C21H26O11/c1-21(2,28)14-4-9-11(31-14)5-12-15(16(9)24)10(23)3-8(30-12)7-29-20-19(27)18(26)17(25)13(6-22)32-20/h3,5,13-14,17-20,22,24-28H,4,6-7H2,1-2H3",CC(C)(O)C1Cc2c(cc3oc(COC4OC(CO)C(O)C(O)C4O)cc(=O)c3c2O)O1,C21H26O11,pos_1_1proton1acetonitrile,454.147511652,YMKQLZWZRFMJBN,Polyketides,Chromanes,Chromones,Actaea elata,988729.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea elata'],6,3,7.5 124787,5293,942,Polyketides,Cyclic polyketides,Chromones,0.0,MS1_match,PBHOYFHVNTVOLB-JEQBVLSKSA-N,"InChI=1S/C21H26O11/c1-9(8-30-21-19(29)18(28)17(27)15(7-23)32-21)2-3-11-12(24)5-14(26)16-13(25)4-10(6-22)31-20(11)16/h2,4-5,15,17-19,21-24,26-29H,3,6-8H2,1H3/b9-2+/t15-,17-,18+,19-,21-/m1/s1",C/C(=C\Cc1c(O)cc(O)c2c(=O)cc(CO)oc12)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C21H26O11,pos_1_1proton1acetonitrile,454.147511652,PBHOYFHVNTVOLB,Polyketides,Chromanes,Chromones,Eranthis hyemalis,756503.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Eranthis'],['Eranthis hyemalis'],6,3,7.5 124788,5293,942,Polyketides,Cyclic polyketides,Chromones,0.0,MS1_match,GWJOORMJFDUWLC-JEQBVLSKSA-N,"InChI=1S/C21H26O11/c1-9(6-22)2-3-11-14(31-21-19(29)18(28)17(27)15(8-24)32-21)5-13(26)16-12(25)4-10(7-23)30-20(11)16/h2,4-5,15,17-19,21-24,26-29H,3,6-8H2,1H3/b9-2+/t15-,17-,18+,19-,21-/m1/s1",C/C(=C\Cc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c2c(=O)cc(CO)oc12)CO,C21H26O11,pos_1_1proton1acetonitrile,454.147511652,GWJOORMJFDUWLC,Polyketides,Chromanes,Chromones,Eranthis cilicica,5922989.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Eranthis'],['Eranthis cilicica'],6,3,7.5 124789,5293,942,Polyketides,Cyclic polyketides,Chromones,0.0,MS1_match,GWJOORMJFDUWLC-JEQBVLSKSA-N,"InChI=1S/C21H26O11/c1-9(6-22)2-3-11-14(31-21-19(29)18(28)17(27)15(8-24)32-21)5-13(26)16-12(25)4-10(7-23)30-20(11)16/h2,4-5,15,17-19,21-24,26-29H,3,6-8H2,1H3/b9-2+/t15-,17-,18+,19-,21-/m1/s1",C/C(=C\Cc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c2c(=O)cc(CO)oc12)CO,C21H26O11,pos_1_1proton1acetonitrile,454.147511652,GWJOORMJFDUWLC,Polyketides,Chromanes,Chromones,Eranthis hyemalis,756503.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Eranthis'],['Eranthis hyemalis'],6,3,7.5 124784,5292,-1,,,,0.265197,ISDB,,,,,,,QCRRQAUQXBDWDH,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.0607880353927612 124782,5289,-1,,,,0.30978844,ISDB,PYLNOJGNKMCWPS-SEUBVADGSA-N,"InChI=1S/C30H47NO7S/c1-19(2)26(27(33)34)31-17-20(16-25(31)32)8-10-22-21(18-38-39(35,36)37)9-11-24-29(22,5)15-12-23-28(3,4)13-7-14-30(23,24)6/h16,18-19,22-24,26H,7-15,17H2,1-6H3,(H,33,34)(H,35,36,37)/b21-18+/t22-,23-,24-,26-,29+,30-/m0/s1",CC(C)[C@@H](C(=O)O)N1CC(CC[C@H]2/C(=C/OS(=O)(=O)O)CC[C@H]3[C@]2(C)CC[C@H]2C(C)(C)CCC[C@]32C)=CC1=O,C30H47NO7S,,565.307323844,PYLNOJGNKMCWPS,Terpenoids,Sesterterpenoids,Cheilanthane sesterterpenoids,Coscinoderma,165941.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Dictyoceratida'],['Spongiidae'],['Unknown'],['Coscinoderma'],['Unknown'],1,0,2.239153742790222 124747,5287,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QAIPRVGONGVQAS-UHFFFAOYSA-N,"InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)",O=C(O)C=Cc1ccc(O)c(O)c1,C9H8O4,pos_1_1proton,180.042258736,QAIPRVGONGVQAS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis delavayi,72769.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis delavayi'],8,3,9.5 124749,5287,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QAIPRVGONGVQAS-DUXPYHPUSA-N,"InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+",O=C(O)/C=C/c1ccc(O)c(O)c1,C9H8O4,pos_1_1proton,180.042258736,QAIPRVGONGVQAS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis vitalba,756499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis vitalba'],8,3,9.5 124745,5286,1126,Alkaloids,Amino acid glycosides,Terpenoid alkaloids,0.22461525,ISDB,KZBHGKPXLHDZDW-ORRFLJAUSA-N,"InChI=1S/C25H31NO12/c1-34-17-9-12(3-5-14(17)28)4-6-19(30)38-24-22(33)21(32)18(11-27)37-25(24)36-16-10-15(29)23(35-2)20(31)13(16)7-8-26/h3-7,9,15-16,18,20-25,27-29,31-33H,10-11H2,1-2H3/b6-4+,13-7+/t15-,16+,18+,20-,21+,22-,23-,24+,25+/m0/s1",COc1cc(/C=C/C(=O)O[C@H]2[C@H](O[C@@H]3C[C@H](O)[C@H](OC)[C@@H](O)/C3=C/C#N)O[C@H](CO)[C@@H](O)[C@@H]2O)ccc1O,C25H31NO12,,537.184625432,KZBHGKPXLHDZDW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Simmondsia chinensis,864011.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Simmondsiaceae'],['Unknown'],['Simmondsia'],['Simmondsia chinensis'],4,2,5.8984609842300415 124737,5282,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,MBNGWHIJMBWFHU-UHFFFAOYSA-N,"InChI=1S/C16H12O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-7,17-19H,1H3",COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1O,C16H12O6,pos_1_1proton,300.063388104,MBNGWHIJMBWFHU,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Valeriana rossica,6061718.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana rossica'],6,2,7.0 124738,5282,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,MBNGWHIJMBWFHU-UHFFFAOYSA-N,"InChI=1S/C16H12O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-7,17-19H,1H3",COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1O,C16H12O6,pos_1_1proton,300.063388104,MBNGWHIJMBWFHU,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Valeriana amurensis,245959.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana amurensis'],6,2,7.0 124739,5282,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,MBNGWHIJMBWFHU-UHFFFAOYSA-N,"InChI=1S/C16H12O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-7,17-19H,1H3",COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1O,C16H12O6,pos_1_1proton,300.063388104,MBNGWHIJMBWFHU,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Valeriana eriophylla,6061633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana eriophylla'],6,2,7.0 124740,5282,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,MBNGWHIJMBWFHU-UHFFFAOYSA-N,"InChI=1S/C16H12O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-7,17-19H,1H3",COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1O,C16H12O6,pos_1_1proton,300.063388104,MBNGWHIJMBWFHU,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Valeriana cardamines,6061598.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana cardamines'],6,2,7.0 124741,5282,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,MBNGWHIJMBWFHU-UHFFFAOYSA-N,"InChI=1S/C16H12O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-7,17-19H,1H3",COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1O,C16H12O6,pos_1_1proton,300.063388104,MBNGWHIJMBWFHU,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Valeriana ficariifolia,5746450.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana ficariifolia'],6,2,7.0 124742,5282,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,MBNGWHIJMBWFHU-UHFFFAOYSA-N,"InChI=1S/C16H12O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-7,17-19H,1H3",COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1O,C16H12O6,pos_1_1proton,300.063388104,MBNGWHIJMBWFHU,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Valeriana chionophila,6061606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana chionophila'],6,2,7.0 124743,5282,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,MBNGWHIJMBWFHU-UHFFFAOYSA-N,"InChI=1S/C16H12O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-7,17-19H,1H3",COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1O,C16H12O6,pos_1_1proton,300.063388104,MBNGWHIJMBWFHU,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Valeriana fedtschenkoi,139316.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana longiflora'],6,2,7.0 124744,5282,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,MBNGWHIJMBWFHU-UHFFFAOYSA-N,"InChI=1S/C16H12O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-7,17-19H,1H3",COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1O,C16H12O6,pos_1_1proton,300.063388104,MBNGWHIJMBWFHU,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Valeriana laxiflora,844983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana laxiflora'],6,2,7.0 124730,5281,-1,,,,0.0,MS1_match,QBYSXERNIGFSBS-UHFFFAOYSA-N,"InChI=1S/C22H32O14/c1-2-8-9-3-4-31-19(30)10(9)7-32-20(8)36-22-17(29)18(14(26)12(6-24)34-22)35-21-16(28)15(27)13(25)11(5-23)33-21/h2,7-9,11-18,20-29H,1,3-6H2",C=CC1C(OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)OC=C2C(=O)OCCC21,C22H32O14,pos_1_1potassium,520.179205704,QBYSXERNIGFSBS,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Dipsacus asper,365911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Dipsacus'],['Dipsacus asper'],6,0,6.0 124731,5281,-1,,,,0.0,MS1_match,QBYSXERNIGFSBS-UHFFFAOYSA-N,"InChI=1S/C22H32O14/c1-2-8-9-3-4-31-19(30)10(9)7-32-20(8)36-22-17(29)18(14(26)12(6-24)34-22)35-21-16(28)15(27)13(25)11(5-23)33-21/h2,7-9,11-18,20-29H,1,3-6H2",C=CC1C(OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)OC=C2C(=O)OCCC21,C22H32O14,pos_1_1potassium,520.179205704,QBYSXERNIGFSBS,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Dipsacus inermis,776357.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Dipsacus'],['Dipsacus inermis'],6,0,6.0 124697,5278,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,QAIPRVGONGVQAS-UHFFFAOYSA-N,"InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)",O=C(O)C=Cc1ccc(O)c(O)c1,C9H8O4,pos_1_1proton1methanol,180.042258736,QAIPRVGONGVQAS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 124698,5278,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,QAIPRVGONGVQAS-DUXPYHPUSA-N,"InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+",O=C(O)/C=C/c1ccc(O)c(O)c1,C9H8O4,pos_1_1proton1methanol,180.042258736,QAIPRVGONGVQAS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera bournei,5746380.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera bournei'],7,3,8.5 124691,5276,-1,,,,0.73482084,ISDB,WPEARBZAFBYHRG-XVNBXDOJSA-N,"InChI=1S/C25H26O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(35,24(33)34)11-19(30)23(20)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-3,5-7,9-10,19-20,23,26-30,35H,4,8,11-12H2,(H,33,34)/b7-3+",O=C(/C=C/c1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1OC(=O)CCc1ccc(O)c(O)c1,C25H26O12,,518.142426272,WPEARBZAFBYHRG,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Salicornia maritima,1024331.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Chenopodiaceae'],['Unknown'],['Salicornia'],['Salicornia maritima'],4,0,6.93928337097168 124692,5276,-1,,,,0.73482084,ISDB,WPEARBZAFBYHRG-XVNBXDOJSA-N,"InChI=1S/C25H26O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(35,24(33)34)11-19(30)23(20)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-3,5-7,9-10,19-20,23,26-30,35H,4,8,11-12H2,(H,33,34)/b7-3+",O=C(/C=C/c1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1OC(=O)CCc1ccc(O)c(O)c1,C25H26O12,,518.142426272,WPEARBZAFBYHRG,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Salicornia herbacea,321009.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Chenopodiaceae'],['Unknown'],['Salicornia'],['Salicornia herbacea'],4,0,6.93928337097168 124693,5276,-1,,,,0.73482084,ISDB,WPEARBZAFBYHRG-XVNBXDOJSA-N,"InChI=1S/C25H26O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(35,24(33)34)11-19(30)23(20)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-3,5-7,9-10,19-20,23,26-30,35H,4,8,11-12H2,(H,33,34)/b7-3+",O=C(/C=C/c1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1OC(=O)CCc1ccc(O)c(O)c1,C25H26O12,,518.142426272,WPEARBZAFBYHRG,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Salicornia fruticosa,163178.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Chenopodiaceae'],['Unknown'],['Salicornia'],['Salicornia fruticosa'],4,0,6.93928337097168 124694,5276,-1,,,,0.73482084,ISDB,WPEARBZAFBYHRG-XVNBXDOJSA-N,"InChI=1S/C25H26O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(35,24(33)34)11-19(30)23(20)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-3,5-7,9-10,19-20,23,26-30,35H,4,8,11-12H2,(H,33,34)/b7-3+",O=C(/C=C/c1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1OC(=O)CCc1ccc(O)c(O)c1,C25H26O12,,518.142426272,WPEARBZAFBYHRG,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Sarcocornia fruticosa,163178.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Chenopodiaceae'],['Unknown'],['Salicornia'],['Salicornia fruticosa'],4,0,6.93928337097168 124695,5276,-1,,,,0.73482084,ISDB,WPEARBZAFBYHRG-XVNBXDOJSA-N,"InChI=1S/C25H26O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(35,24(33)34)11-19(30)23(20)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-3,5-7,9-10,19-20,23,26-30,35H,4,8,11-12H2,(H,33,34)/b7-3+",O=C(/C=C/c1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1OC(=O)CCc1ccc(O)c(O)c1,C25H26O12,,518.142426272,WPEARBZAFBYHRG,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Arthrocnemum fruticosum,163178.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Chenopodiaceae'],['Unknown'],['Salicornia'],['Salicornia fruticosa'],4,0,6.93928337097168 124657,5274,463,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.94513947,ISDB,VPAOSFFTKWUGAD-TVKJYDDYSA-N,"InChI=1S/C15H16O8/c16-6-10-12(18)13(19)14(20)15(23-10)21-8-3-1-7-2-4-11(17)22-9(7)5-8/h1-5,10,12-16,18-20H,6H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2o1,C15H16O8,,324.084517472,VPAOSFFTKWUGAD,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Skimmia reevesiana,186532.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Skimmia'],['Skimmia reevesiana'],4,1,8.280557870864868 124658,5274,463,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.94513947,ISDB,VPAOSFFTKWUGAD-TVKJYDDYSA-N,"InChI=1S/C15H16O8/c16-6-10-12(18)13(19)14(20)15(23-10)21-8-3-1-7-2-4-11(17)22-9(7)5-8/h1-5,10,12-16,18-20H,6H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2o1,C15H16O8,,324.084517472,VPAOSFFTKWUGAD,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Artemisia ordosica,441241.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia ordosica'],4,1,8.280557870864868 124659,5274,463,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.94513947,ISDB,VPAOSFFTKWUGAD-UHFFFAOYSA-N,"InChI=1S/C15H16O8/c16-6-10-12(18)13(19)14(20)15(23-10)21-8-3-1-7-2-4-11(17)22-9(7)5-8/h1-5,10,12-16,18-20H,6H2",O=c1ccc2ccc(OC3OC(CO)C(O)C(O)C3O)cc2o1,C15H16O8,,324.0845174719999,VPAOSFFTKWUGAD,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Edgeworthia chrysantha,268293.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Thymelaeaceae'],['Unknown'],['Edgeworthia'],['Edgeworthia chrysantha'],4,1,8.280557870864868 124660,5274,463,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.94513947,ISDB,VPAOSFFTKWUGAD-TVKJYDDYSA-N,"InChI=1S/C15H16O8/c16-6-10-12(18)13(19)14(20)15(23-10)21-8-3-1-7-2-4-11(17)22-9(7)5-8/h1-5,10,12-16,18-20H,6H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2o1,C15H16O8,,324.084517472,VPAOSFFTKWUGAD,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Eucalyptus viminalis,566581.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Eucalypteae'],['Eucalyptus'],['Eucalyptus viminalis'],4,1,8.280557870864868 124661,5274,463,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.94513947,ISDB,VPAOSFFTKWUGAD-TVKJYDDYSA-N,"InChI=1S/C15H16O8/c16-6-10-12(18)13(19)14(20)15(23-10)21-8-3-1-7-2-4-11(17)22-9(7)5-8/h1-5,10,12-16,18-20H,6H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2o1,C15H16O8,,324.084517472,VPAOSFFTKWUGAD,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Skimmia japonica,790015.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Skimmia'],['Skimmia japonica'],4,1,8.280557870864868 124662,5274,463,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.94513947,ISDB,VPAOSFFTKWUGAD-TVKJYDDYSA-N,"InChI=1S/C15H16O8/c16-6-10-12(18)13(19)14(20)15(23-10)21-8-3-1-7-2-4-11(17)22-9(7)5-8/h1-5,10,12-16,18-20H,6H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2o1,C15H16O8,,324.084517472,VPAOSFFTKWUGAD,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Angelica dahurica,49588.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Selineae'],['Angelica'],['Angelica dahurica'],4,1,8.280557870864868 124663,5274,463,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.94513947,ISDB,VPAOSFFTKWUGAD-TVKJYDDYSA-N,"InChI=1S/C15H16O8/c16-6-10-12(18)13(19)14(20)15(23-10)21-8-3-1-7-2-4-11(17)22-9(7)5-8/h1-5,10,12-16,18-20H,6H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2o1,C15H16O8,,324.084517472,VPAOSFFTKWUGAD,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Hydrangea macrophylla,162001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Hydrangeaceae'],['Hydrangeeae'],['Hydrangea'],['Hydrangea macrophylla'],4,1,8.280557870864868 124664,5274,463,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.94513947,ISDB,VPAOSFFTKWUGAD-TVKJYDDYSA-N,"InChI=1S/C15H16O8/c16-6-10-12(18)13(19)14(20)15(23-10)21-8-3-1-7-2-4-11(17)22-9(7)5-8/h1-5,10,12-16,18-20H,6H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2o1,C15H16O8,,324.084517472,VPAOSFFTKWUGAD,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Saussurea superba,561049.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea superba'],4,1,8.280557870864868 124665,5274,463,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.94513947,ISDB,VPAOSFFTKWUGAD-TVKJYDDYSA-N,"InChI=1S/C15H16O8/c16-6-10-12(18)13(19)14(20)15(23-10)21-8-3-1-7-2-4-11(17)22-9(7)5-8/h1-5,10,12-16,18-20H,6H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2o1,C15H16O8,,324.084517472,VPAOSFFTKWUGAD,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Saussurea hieracioides,40090.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea hieracioides'],4,1,8.280557870864868 124666,5274,463,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.94513947,ISDB,VPAOSFFTKWUGAD-BGNCJLHMSA-N,"InChI=1S/C15H16O8/c16-6-10-12(18)13(19)14(20)15(23-10)21-8-3-1-7-2-4-11(17)22-9(7)5-8/h1-5,10,12-16,18-20H,6H2/t10-,12+,13+,14-,15-/m1/s1",O=c1ccc2ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2o1,C15H16O8,,324.084517472,VPAOSFFTKWUGAD,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Morus alba,658488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Morus'],['Morus alba'],4,1,8.280557870864868 124667,5274,463,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.94513947,ISDB,VPAOSFFTKWUGAD-BGNCJLHMSA-N,"InChI=1S/C15H16O8/c16-6-10-12(18)13(19)14(20)15(23-10)21-8-3-1-7-2-4-11(17)22-9(7)5-8/h1-5,10,12-16,18-20H,6H2/t10-,12+,13+,14-,15-/m1/s1",O=c1ccc2ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2o1,C15H16O8,,324.084517472,VPAOSFFTKWUGAD,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],4,1,8.280557870864868 124668,5274,463,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.94513947,ISDB,VPAOSFFTKWUGAD-TVKJYDDYSA-N,"InChI=1S/C15H16O8/c16-6-10-12(18)13(19)14(20)15(23-10)21-8-3-1-7-2-4-11(17)22-9(7)5-8/h1-5,10,12-16,18-20H,6H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2o1,C15H16O8,,324.084517472,VPAOSFFTKWUGAD,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Adina cordifolia,315681.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Naucleeae'],['Haldina'],['Haldina cordifolia'],4,1,8.280557870864868 124669,5274,463,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.94513947,ISDB,VPAOSFFTKWUGAD-BGNCJLHMSA-N,"InChI=1S/C15H16O8/c16-6-10-12(18)13(19)14(20)15(23-10)21-8-3-1-7-2-4-11(17)22-9(7)5-8/h1-5,10,12-16,18-20H,6H2/t10-,12+,13+,14-,15-/m1/s1",O=c1ccc2ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2o1,C15H16O8,,324.084517472,VPAOSFFTKWUGAD,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Stellera chamaejasme,191882.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Thymelaeaceae'],['Unknown'],['Stellera'],['Stellera chamaejasme'],4,1,8.280557870864868 124670,5274,463,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.94513947,ISDB,VPAOSFFTKWUGAD-UHFFFAOYSA-N,"InChI=1S/C15H16O8/c16-6-10-12(18)13(19)14(20)15(23-10)21-8-3-1-7-2-4-11(17)22-9(7)5-8/h1-5,10,12-16,18-20H,6H2",O=c1ccc2ccc(OC3OC(CO)C(O)C(O)C3O)cc2o1,C15H16O8,,324.0845174719999,VPAOSFFTKWUGAD,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Daphne feddei,5747011.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Thymelaeaceae'],['Unknown'],['Daphne'],['Daphne feddei'],4,1,8.280557870864868 124671,5274,463,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.94513947,ISDB,VPAOSFFTKWUGAD-TVKJYDDYSA-N,"InChI=1S/C15H16O8/c16-6-10-12(18)13(19)14(20)15(23-10)21-8-3-1-7-2-4-11(17)22-9(7)5-8/h1-5,10,12-16,18-20H,6H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2o1,C15H16O8,,324.084517472,VPAOSFFTKWUGAD,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Aesculus hippocastanum,404238.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Sapindaceae'],['Hippocastaneae'],['Aesculus'],['Aesculus hippocastanum'],4,1,8.280557870864868 124672,5274,463,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.94513947,ISDB,VPAOSFFTKWUGAD-TVKJYDDYSA-N,"InChI=1S/C15H16O8/c16-6-10-12(18)13(19)14(20)15(23-10)21-8-3-1-7-2-4-11(17)22-9(7)5-8/h1-5,10,12-16,18-20H,6H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2o1,C15H16O8,,324.084517472,VPAOSFFTKWUGAD,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Ipomoea nil,77355.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Convolvulaceae'],['Ipomoeeae'],['Ipomoea'],['Ipomoea nil'],4,1,8.280557870864868 124673,5274,463,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.94513947,ISDB,VPAOSFFTKWUGAD-LFHLZQBKSA-N,"InChI=1S/C15H16O8/c16-6-10-12(18)13(19)14(20)15(23-10)21-8-3-1-7-2-4-11(17)22-9(7)5-8/h1-5,10,12-16,18-20H,6H2/t10-,12-,13+,14-,15+/m1/s1",O=c1ccc2ccc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2o1,C15H16O8,,324.084517472,VPAOSFFTKWUGAD,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Artemisia gmelinii,115033.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia gmelinii'],4,1,8.280557870864868 124674,5274,463,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.94513947,ISDB,VPAOSFFTKWUGAD-BGNCJLHMSA-N,"InChI=1S/C15H16O8/c16-6-10-12(18)13(19)14(20)15(23-10)21-8-3-1-7-2-4-11(17)22-9(7)5-8/h1-5,10,12-16,18-20H,6H2/t10-,12+,13+,14-,15-/m1/s1",O=c1ccc2ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2o1,C15H16O8,,324.084517472,VPAOSFFTKWUGAD,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Phellodendron amurense,1016461.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Phellodendron'],['Phellodendron amurense'],4,1,8.280557870864868 124675,5274,463,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.94513947,ISDB,VPAOSFFTKWUGAD-LFHLZQBKSA-N,"InChI=1S/C15H16O8/c16-6-10-12(18)13(19)14(20)15(23-10)21-8-3-1-7-2-4-11(17)22-9(7)5-8/h1-5,10,12-16,18-20H,6H2/t10-,12-,13+,14-,15+/m1/s1",O=c1ccc2ccc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2o1,C15H16O8,,324.084517472,VPAOSFFTKWUGAD,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Artemisia chamaemelifolia,119282.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia chamaemelifolia'],4,1,8.280557870864868 124676,5274,463,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.94513947,ISDB,VPAOSFFTKWUGAD-TVKJYDDYSA-N,"InChI=1S/C15H16O8/c16-6-10-12(18)13(19)14(20)15(23-10)21-8-3-1-7-2-4-11(17)22-9(7)5-8/h1-5,10,12-16,18-20H,6H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2o1,C15H16O8,,324.084517472,VPAOSFFTKWUGAD,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Rhodiola heterodonta,762829.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Rhodiola'],['Rhodiola heterodonta'],4,1,8.280557870864868 124677,5274,463,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.94513947,ISDB,VPAOSFFTKWUGAD-TVKJYDDYSA-N,"InChI=1S/C15H16O8/c16-6-10-12(18)13(19)14(20)15(23-10)21-8-3-1-7-2-4-11(17)22-9(7)5-8/h1-5,10,12-16,18-20H,6H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2o1,C15H16O8,,324.084517472,VPAOSFFTKWUGAD,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Tetradium glabrifolium,164592.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Tetradium'],['Tetradium glabrifolium'],4,1,8.280557870864868 124678,5274,463,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.94513947,ISDB,VPAOSFFTKWUGAD-UHFFFAOYSA-N,"InChI=1S/C15H16O8/c16-6-10-12(18)13(19)14(20)15(23-10)21-8-3-1-7-2-4-11(17)22-9(7)5-8/h1-5,10,12-16,18-20H,6H2",O=c1ccc2ccc(OC3OC(CO)C(O)C(O)C3O)cc2o1,C15H16O8,,324.0845174719999,VPAOSFFTKWUGAD,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Phellodendron,1016455.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Phellodendron'],['Unknown'],4,1,8.280557870864868 124679,5274,463,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.94513947,ISDB,VPAOSFFTKWUGAD-TVKJYDDYSA-N,"InChI=1S/C15H16O8/c16-6-10-12(18)13(19)14(20)15(23-10)21-8-3-1-7-2-4-11(17)22-9(7)5-8/h1-5,10,12-16,18-20H,6H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2o1,C15H16O8,,324.084517472,VPAOSFFTKWUGAD,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Astragalus brachycarpus,3923915.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus brachycarpus'],4,1,8.280557870864868 124680,5274,463,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.94513947,ISDB,VPAOSFFTKWUGAD-TVKJYDDYSA-N,"InChI=1S/C15H16O8/c16-6-10-12(18)13(19)14(20)15(23-10)21-8-3-1-7-2-4-11(17)22-9(7)5-8/h1-5,10,12-16,18-20H,6H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2o1,C15H16O8,,324.084517472,VPAOSFFTKWUGAD,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Glehnia littoralis,622365.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Selineae'],['Glehnia'],['Glehnia littoralis'],4,1,8.280557870864868 124681,5274,463,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.94513947,ISDB,VPAOSFFTKWUGAD-LFHLZQBKSA-N,"InChI=1S/C15H16O8/c16-6-10-12(18)13(19)14(20)15(23-10)21-8-3-1-7-2-4-11(17)22-9(7)5-8/h1-5,10,12-16,18-20H,6H2/t10-,12-,13+,14-,15+/m1/s1",O=c1ccc2ccc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2o1,C15H16O8,,324.084517472,VPAOSFFTKWUGAD,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Artemisia stechmanniana,154486.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia santolinifolia'],4,1,8.280557870864868 124682,5274,463,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.94513947,ISDB,VPAOSFFTKWUGAD-LFHLZQBKSA-N,"InChI=1S/C15H16O8/c16-6-10-12(18)13(19)14(20)15(23-10)21-8-3-1-7-2-4-11(17)22-9(7)5-8/h1-5,10,12-16,18-20H,6H2/t10-,12-,13+,14-,15+/m1/s1",O=c1ccc2ccc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2o1,C15H16O8,,324.084517472,VPAOSFFTKWUGAD,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Artemisia santolinifolia,154486.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia santolinifolia'],4,1,8.280557870864868 124655,5269,217,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.7764435,ISDB,DPTUTXWBBUARQB-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-2-6-4-5-8(11)12-9(6)7/h1-5,10H",O=c1ccc2cccc(O)c2o1,C9H6O3,,162.031694052,DPTUTXWBBUARQB,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Murraya paniculata,81668.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Murraya'],['Murraya paniculata'],4,3,8.60577392578125 124656,5269,217,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.7764435,ISDB,DPTUTXWBBUARQB-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-2-6-4-5-8(11)12-9(6)7/h1-5,10H",O=c1ccc2cccc(O)c2o1,C9H6O3,,162.031694052,DPTUTXWBBUARQB,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Murraya exotica,755734.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Murraya'],['Murraya exotica'],4,3,8.60577392578125 124644,5267,343,Polyketides,Cyclic polyketides,Phthalide derivatives,0.7067327,ISDB,PTWPWUVEQZXOFJ-UHFFFAOYSA-N,"InChI=1S/C8H6O3/c9-6-3-1-2-5-4-11-8(10)7(5)6/h1-3,9H,4H2",O=C1OCc2cccc(O)c21,C8H6O3,,150.031694052,PTWPWUVEQZXOFJ,Polyketides,Cyclic polyketides,Phthalide derivatives,Cladosporium,984626.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Dothideomycetes'],['Capnodiales'],['Cladosporiaceae'],['Unknown'],['Cladosporium'],['Unknown'],1,3,5.32693076133728 124645,5267,343,Polyketides,Cyclic polyketides,Phthalide derivatives,0.7067327,ISDB,PTWPWUVEQZXOFJ-UHFFFAOYSA-N,"InChI=1S/C8H6O3/c9-6-3-1-2-5-4-11-8(10)7(5)6/h1-3,9H,4H2",O=C1OCc2cccc(O)c21,C8H6O3,,150.031694052,PTWPWUVEQZXOFJ,Polyketides,Cyclic polyketides,Phthalide derivatives,Calvolia,186102.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Arachnida'],['Sarcoptiformes'],['Winterschmidtiidae'],['Unknown'],['Calvolia'],['Unknown'],1,3,5.32693076133728 124493,5265,374,Terpenoids,Steroids,Cholestane steroids,0.27321735,ISDB,HGCLEPLEUUJGID-REBIDWDSSA-N,"InChI=1S/C27H44O3/c1-17(2)7-6-8-18(3)20-9-10-21-22-16-24(29)23-15-19(28)11-12-26(23,5)27(22,30)14-13-25(20,21)4/h16-21,23,28,30H,6-15H2,1-5H3/t18-,19+,20-,21+,23-,25-,26+,27-/m1/s1",CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@@]3(O)CC[C@]12C,C27H44O3,,416.329045268,HGCLEPLEUUJGID,Terpenoids,Steroids,Cholestane steroids,Peniocereus viperinus,700179.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Cactaceae'],['Echinocereeae'],['Peniocereus'],['Peniocereus viperinus'],4,3,6.592869400978088 124413,5262,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.25514102,ISDB,RROGHRHLBLVQSG-ZIEWLMKPSA-N,"InChI=1S/C41H66O13/c1-36(2)13-15-41(35(49)50)16-14-39(5)21(22(41)17-36)7-8-26-37(3)11-10-27(38(4,20-43)25(37)9-12-40(26,39)6)53-34-32(28(45)23(44)19-51-34)54-33-31(48)30(47)29(46)24(18-42)52-33/h7,22-34,42-48H,8-20H2,1-6H3,(H,49,50)/t22-,23+,24+,25+,26+,27-,28+,29+,30-,31+,32-,33-,34-,37-,38-,39+,40+,41-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@@H](O)[C@@H](O)[C@@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C41H66O13,,766.450342172,RROGHRHLBLVQSG,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lonicera nigra,179065.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera nigra'],8,3,10.520564079284668 124377,5261,532,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,0.33464235,ISDB,MLWZOEODCMKKCC-RZNBLONSSA-N,"InChI=1S/C23H38O4/c1-15(25)27-19-9-10-21(4)17(20(19,2)3)8-11-22-12-16(6-7-18(21)22)23(13-22,14-24)26-5/h16-19,24H,6-14H2,1-5H3/t16-,17-,18+,19-,21-,22+,23-/m1/s1",CO[C@@]1(CO)C[C@@]23CC[C@@H]4C(C)(C)[C@H](OC(C)=O)CC[C@@]4(C)[C@@H]2CC[C@@H]1C3,C23H38O4,,378.277009696,MLWZOEODCMKKCC,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Fritillaria anhuiensis,117448.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Liliales'],['Liliaceae'],['Unknown'],['Fritillaria'],['Fritillaria anhuiensis'],4,3,6.838569402694702 124375,5259,-1,,,,0.28139624,ISDB,ZVPAWIUOYQZBHZ-HJWRWDBZSA-N,"InChI=1S/C19H35NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(21)20-17-19(22)23-2/h8-9H,3-7,10-17H2,1-2H3,(H,20,21)/b9-8-",CCCCCC/C=C\CCCCCCCC(=O)NCC(=O)OC,C19H35NO3,,325.26169398,ZVPAWIUOYQZBHZ,Fatty acids,Fatty amides,N-acyl amines,Loktanella,154832.0,['Bacteria'],['Unknown'],['Proteobacteria'],['Alphaproteobacteria'],['Rhodobacterales'],['Rhodobacteraceae'],['Unknown'],['Loktanella'],['Unknown'],0,0,1.1255849599838257 124366,5258,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,JZJSMQHXFBDMBB-RTQWZQBFSA-N,"InChI=1S/C42H68O14/c1-37(2)13-15-42(36(52)56-35-33(51)31(49)29(47)24(55-35)19-53-34-32(50)30(48)28(46)23(18-43)54-34)16-14-40(5)21(22(42)17-37)7-8-26-38(3)11-10-27(45)39(4,20-44)25(38)9-12-41(26,40)6/h7,22-35,43-51H,8-20H2,1-6H3/t22-,23+,24+,25+,26+,27-,28+,29+,30-,31-,32+,33+,34+,35-,38-,39-,40+,41+,42-/m0/s1",CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C42H68O14,pos_1_1proton1ammonium,796.4609068560001,JZJSMQHXFBDMBB,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lonicera macrantha,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 124367,5258,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,JZJSMQHXFBDMBB-RTQWZQBFSA-N,"InChI=1S/C42H68O14/c1-37(2)13-15-42(36(52)56-35-33(51)31(49)29(47)24(55-35)19-53-34-32(50)30(48)28(46)23(18-43)54-34)16-14-40(5)21(22(42)17-37)7-8-26-38(3)11-10-27(45)39(4,20-44)25(38)9-12-41(26,40)6/h7,22-35,43-51H,8-20H2,1-6H3/t22-,23+,24+,25+,26+,27-,28+,29+,30-,31-,32+,33+,34+,35-,38-,39-,40+,41+,42-/m0/s1",CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C42H68O14,pos_1_1proton1ammonium,796.4609068560001,JZJSMQHXFBDMBB,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lonicera macrantha,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 124368,5258,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,YEBCEGBBUMGPQI-OLTREEDVSA-N,"InChI=1S/C42H68O14/c1-37(2)13-15-42(36(52)56-35-33(51)31(49)29(47)24(19-44)54-35)16-14-40(5)21(22(42)17-37)7-8-26-38(3)11-10-27(39(4,20-45)25(38)9-12-41(26,40)6)55-34-32(50)30(48)28(46)23(18-43)53-34/h7,22-35,43-51H,8-20H2,1-6H3/t22-,23+,24+,25+,26+,27-,28+,29+,30-,31-,32+,33+,34-,35-,38-,39-,40+,41+,42-/m0/s1",CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C42H68O14,pos_1_1proton1ammonium,796.4609068560001,YEBCEGBBUMGPQI,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lonicera bournei,5746380.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera bournei'],7,3,8.5 124369,5258,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,YEBCEGBBUMGPQI-OLTREEDVSA-N,"InChI=1S/C42H68O14/c1-37(2)13-15-42(36(52)56-35-33(51)31(49)29(47)24(19-44)54-35)16-14-40(5)21(22(42)17-37)7-8-26-38(3)11-10-27(39(4,20-45)25(38)9-12-41(26,40)6)55-34-32(50)30(48)28(46)23(18-43)53-34/h7,22-35,43-51H,8-20H2,1-6H3/t22-,23+,24+,25+,26+,27-,28+,29+,30-,31-,32+,33+,34-,35-,38-,39-,40+,41+,42-/m0/s1",CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C42H68O14,pos_1_1proton1ammonium,796.4609068560001,YEBCEGBBUMGPQI,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lonicera bournei,5746380.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera bournei'],7,3,8.5 124325,5256,94,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.5097636,ISDB,XYVMMUYIQOLBNH-ZVWIDNOQSA-N,"InChI=1S/C18H34O5/c1-2-3-4-5-6-7-8-10-15(19)13-14-17(21)16(20)11-9-12-18(22)23/h13-17,19-21H,2-12H2,1H3,(H,22,23)/b14-13+/t15-,16-,17+/m1/s1",CCCCCCCCC[C@@H](O)/C=C/[C@H](O)[C@H](O)CCCC(=O)O,C18H34O5,,330.240624188,XYVMMUYIQOLBNH,Fatty acids,Octadecanoids,Other Octadecanoids,Codonopsis pilosula,1014057.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Campanulaceae'],['Unknown'],['Codonopsis'],['Codonopsis pilosula'],4,1,6.5390543937683105 124324,5254,-1,,,,0.0,MS1_match,LERLQQKAXDNEKW-ZKMOHVOUSA-N,"InChI=1S/C22H34O8/c1-12(2)7-17(24)28-11-15-20-16(26-5)9-14(10-23)19(20)22(30-21(15)27-6)29-18(25)8-13(3)4/h9,12-13,16,19,21-23H,7-8,10-11H2,1-6H3/t16-,19-,21+,22-/m1/s1",CO[C@H]1O[C@@H](OC(=O)CC(C)C)[C@@H]2C(CO)=C[C@@H](OC)C2=C1COC(=O)CC(C)C,C22H34O8,pos_1_sodium,426.225368048,LERLQQKAXDNEKW,Terpenoids,Sesquiterpenoids,,Patrinia saniculifolia,139326.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia saniculifolia'],6,0,6.0 124323,5250,-1,,,,0.0,MS1_match,YRXONVIIBMJJST-LXGDLNGNSA-N,"InChI=1S/C38H62O14/c1-17(15-48-34-33(46)31(44)30(43)26(14-39)50-34)7-10-38(47)18(2)28-25(52-38)13-23-21-6-5-19-11-20(40)12-27(37(19,4)22(21)8-9-36(23,28)3)51-35-32(45)29(42)24(41)16-49-35/h18-35,39-47H,1,5-16H2,2-4H3/t18-,19-,20+,21+,22-,23-,24-,25-,26+,27+,28-,29-,30+,31-,32+,33+,34+,35-,36-,37-,38+/m0/s1",C=C(CC[C@@]1(O)O[C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)C[C@@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C38H62O14,pos_2_1proton1potassium,742.413956664,YRXONVIIBMJJST,Terpenoids,Steroids,Furostane steroids,Helleborus cyclophyllus,74330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Helleboreae'],['Helleborus'],['Helleborus cyclophyllus'],6,0,6.0 124294,5243,-1,,,,0.23129375,ISDB,QEGAWOPOQXLXMR-UCLAKJBNSA-N,"InChI=1S/C11H14O6/c1-15-8(12)6-5-2-3-11(14)4-16-10(7(5)11)17-9(6)13/h2-3,5-7,9-10,13-14H,4H2,1H3/t5-,6-,7-,9+,10+,11-/m1/s1",COC(=O)[C@H]1[C@H]2C=C[C@@]3(O)CO[C@@H](O[C@@H]1O)[C@@H]23,C11H14O6,,242.079038168,QEGAWOPOQXLXMR,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Viburnum cylindricum,205162.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Adoxaceae'],['Unknown'],['Viburnum'],['Viburnum cylindricum'],5,0,5.9251750111579895 124290,5242,211,Terpenoids,Phenylpropanoids (C6-C3),Aristolane sesquiterpenoids,0.0,MS1_match,FAGPISMIHLVLSK-JWFUOXDNSA-N,"InChI=1S/C15H20O/c1-9-7-11(16)8-10-5-6-12-13(14(12,2)3)15(9,10)4/h5-6,8-9,12-13H,7H2,1-4H3/t9-,12-,13+,15+/m1/s1",C[C@@H]1CC(=O)C=C2C=C[C@@H]3[C@@H](C3(C)C)[C@]21C,C15H20O,pos_1_1proton1methanol,216.15141526,FAGPISMIHLVLSK,Terpenoids,Sesquiterpenoids,Aristolane sesquiterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,3,7.5 124291,5242,211,Terpenoids,Phenylpropanoids (C6-C3),Aristolane sesquiterpenoids,0.0,MS1_match,FAGPISMIHLVLSK-JWFUOXDNSA-N,"InChI=1S/C15H20O/c1-9-7-11(16)8-10-5-6-12-13(14(12,2)3)15(9,10)4/h5-6,8-9,12-13H,7H2,1-4H3/t9-,12-,13+,15+/m1/s1",C[C@@H]1CC(=O)C=C2C=C[C@@H]3[C@@H](C3(C)C)[C@]21C,C15H20O,pos_1_1proton1methanol,216.15141526,FAGPISMIHLVLSK,Terpenoids,Sesquiterpenoids,Aristolane sesquiterpenoids,Nardostachys jatamansi,24101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Nardostachys'],['Nardostachys jatamansi'],6,3,7.5 124280,5240,343,Polyketides,Cyclic polyketides,Phthalide derivatives,0.6480916,ISDB,PTWPWUVEQZXOFJ-UHFFFAOYSA-N,"InChI=1S/C8H6O3/c9-6-3-1-2-5-4-11-8(10)7(5)6/h1-3,9H,4H2",O=C1OCc2cccc(O)c21,C8H6O3,,150.031694052,PTWPWUVEQZXOFJ,Polyketides,Cyclic polyketides,Phthalide derivatives,Cladosporium,984626.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Dothideomycetes'],['Capnodiales'],['Cladosporiaceae'],['Unknown'],['Cladosporium'],['Unknown'],1,3,5.092366456985474 124281,5240,343,Polyketides,Cyclic polyketides,Phthalide derivatives,0.6480916,ISDB,PTWPWUVEQZXOFJ-UHFFFAOYSA-N,"InChI=1S/C8H6O3/c9-6-3-1-2-5-4-11-8(10)7(5)6/h1-3,9H,4H2",O=C1OCc2cccc(O)c21,C8H6O3,,150.031694052,PTWPWUVEQZXOFJ,Polyketides,Cyclic polyketides,Phthalide derivatives,Calvolia,186102.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Arachnida'],['Sarcoptiformes'],['Winterschmidtiidae'],['Unknown'],['Calvolia'],['Unknown'],1,3,5.092366456985474 124276,5238,79,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,NGYDXZFNGHZVIS-SKMYYDQESA-N,"InChI=1S/C24H34O10/c1-12(2)7-19(27)34-23-20-17(8-18(32-14(5)25)24(20)11-31-24)16(10-30-23)9-29-22(28)21(13(3)4)33-15(6)26/h10,12-13,17-18,20-21,23H,7-9,11H2,1-6H3/t17-,18+,20-,21-,23+,24-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)[C@H](OC(C)=O)C(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C24H34O10,pos_1_1proton1acetonitrile,482.215197288,NGYDXZFNGHZVIS,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana pulvinata,7625148.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana pulvinata'],6,0,6.0 124277,5238,79,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,UPWQTFMGRAGKCN-GMHONNGPSA-N,"InChI=1S/C24H34O10/c1-13(2)7-20(27)33-19-9-18-17(10-30-15(5)25)11-31-23(34-21(28)8-14(3)4)22(18)24(19,29)12-32-16(6)26/h9,11,13-14,19,22-23,29H,7-8,10,12H2,1-6H3/t19-,22+,23-,24+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]2(O)COC(C)=O,C24H34O10,pos_1_1proton1acetonitrile,482.21519728799984,UPWQTFMGRAGKCN,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,0,6.0 124278,5238,79,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,UPWQTFMGRAGKCN-GMHONNGPSA-N,"InChI=1S/C24H34O10/c1-13(2)7-20(27)33-19-9-18-17(10-30-15(5)25)11-31-23(34-21(28)8-14(3)4)22(18)24(19,29)12-32-16(6)26/h9,11,13-14,19,22-23,29H,7-8,10,12H2,1-6H3/t19-,22+,23-,24+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]2(O)COC(C)=O,C24H34O10,pos_1_1proton1acetonitrile,482.21519728799984,UPWQTFMGRAGKCN,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana alliariifolia,5746411.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana alliariifolia'],6,0,6.0 124279,5238,79,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,JCQNBCPVSOEFPG-GMHONNGPSA-N,"InChI=1S/C24H34O10/c1-13(2)7-20(27)30-10-17-11-31-23(34-21(28)8-14(3)4)22-18(17)9-19(33-16(6)26)24(22,29)12-32-15(5)25/h9,11,13-14,19,22-23,29H,7-8,10,12H2,1-6H3/t19-,22+,23-,24+/m0/s1",CC(=O)OC[C@@]1(O)[C@@H](OC(C)=O)C=C2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]21,C24H34O10,pos_1_1proton1acetonitrile,482.215197288,JCQNBCPVSOEFPG,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia rupestris,1035977.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia rupestris'],6,0,6.0 124273,5235,30,Alkaloids,Tyrosine alkaloids,Cinnamic acid amides,0.0,MS1_match,LTRLDPJSMLPKMF-YKXWAFRCSA-N,"InChI=1S/C25H40O10/c1-12-9-14(26)10-25(3,4)15(12)6-5-13(2)34-24-23(32)22(31)21(30)18(35-24)11-33-17-8-7-16(27)19(28)20(17)29/h5-6,9,13,15-24,27-32H,7-8,10-11H2,1-4H3/b6-5+/t13-,15+,16+,17-,18-,19+,20+,21-,22+,23-,24-/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@@H](C)O[C@@H]1O[C@H](CO[C@@H]2CC[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C25H40O10,pos_2_1proton1potassium,500.26214748,LTRLDPJSMLPKMF,Terpenoids,Apocarotenoids,Megastigmanes,Lonicera gracilipes,920854.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera gracilipes'],7,0,7.0 123487,5233,167,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.9057023,ISDB,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Patrinia rupestris,1035977.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia rupestris'],6,3,11.122809171676636 123481,5231,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.23218223,ISDB,SKLFBVDVHXYCOT-LSRCEVBISA-N,"InChI=1S/C12H16O6/c1-4-7-8(5-10(13)16-2)9(11(14)17-3)6-18-12(7)15/h4,8-9H,5-6H2,1-3H3/b7-4-/t8-,9-/m0/s1",C/C=C1\C(=O)OC[C@H](C(=O)OC)[C@H]1CC(=O)OC,C12H16O6,,256.094688232,SKLFBVDVHXYCOT,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Acicarpha tribuloides,876344.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Calyceraceae'],['Unknown'],['Acicarpha'],['Acicarpha tribuloides'],4,3,6.428728938102722 123477,5227,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.31689626,ISDB,FESYABODVVRUBU-DPSGVGSGSA-N,"InChI=1S/C42H68O12/c1-21(2)13-15-30(43)23(5)17-19-42(50)29(32(44)25(7)28-12-11-18-41(28,42)10)20-24(6)31(16-14-22(3)4)53-39-37(49)35(47)38(27(9)52-39)54-40-36(48)34(46)33(45)26(8)51-40/h13-14,17,20,25-31,33-40,43,45-50H,11-12,15-16,18-19H2,1-10H3/b23-17+,24-20+/t25-,26-,27+,28-,29-,30+,31-,33-,34+,35+,36+,37+,38-,39-,40-,41-,42-/m0/s1",CC(C)=CC[C@@H](O)/C(C)=C/C[C@]1(O)[C@@H](/C=C(\C)[C@H](CC=C(C)C)O[C@@H]2O[C@H](C)[C@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H](O)[C@H]2O)C(=O)[C@@H](C)[C@@H]2CCC[C@@]21C,C42H68O12,,764.471077616,FESYABODVVRUBU,Terpenoids,,,Neopetrosia vanilla,4939023.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Haplosclerida'],['Petrosiidae'],['Unknown'],['Neopetrosia'],['Neopetrosia vanilla'],1,1,2.767585039138794 123476,5226,457,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,0.20231597,ISDB,FMTLKIJHTZJTFK-UHFFFAOYSA-N,"InChI=1S/C25H18O12/c1-7-3-8-4-9-5-12(27)25(36-21(9)19(30)13(8)24(33)35-7)23(32)16-18(29)14-10(26)6-11(34-2)17(28)15(14)20(31)22(16)37-25/h3-4,6,12,23,26-28,30,32H,5H2,1-2H3",COc1cc(O)c2c(c1O)C(=O)C1=C(C2=O)C(O)C2(O1)Oc1c(cc3cc(C)oc(=O)c3c1O)CC2O,C25H18O12,,510.079826016,FMTLKIJHTZJTFK,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Streptomyces griseus,623861.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Streptomyces griseus'],0,3,2.3092638850212097 123443,5224,1595,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CAIGUMKGQLGFBR-PZTMCFHLSA-N,"InChI=1S/C21H20O10/c1-30-16-10-12(4-8-15(16)23)5-9-17(24)31-18(19(25)26)21(29,20(27)28)11-13-2-6-14(22)7-3-13/h2-10,18,22-23,29H,11H2,1H3,(H,25,26)(H,27,28)/b9-5+/t18-,21-/m1/s1",COc1cc(/C=C/C(=O)O[C@H](C(=O)O)[C@](O)(Cc2ccc(O)cc2)C(=O)O)ccc1O,C21H20O10,pos_1_sodium,432.1056468399999,CAIGUMKGQLGFBR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Actaea racemosa,512702.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea racemosa'],6,3,7.5 123444,5224,1595,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CAIGUMKGQLGFBR-PZTMCFHLSA-N,"InChI=1S/C21H20O10/c1-30-16-10-12(4-8-15(16)23)5-9-17(24)31-18(19(25)26)21(29,20(27)28)11-13-2-6-14(22)7-3-13/h2-10,18,22-23,29H,11H2,1H3,(H,25,26)(H,27,28)/b9-5+/t18-,21-/m1/s1",COc1cc(/C=C/C(=O)O[C@H](C(=O)O)[C@](O)(Cc2ccc(O)cc2)C(=O)O)ccc1O,C21H20O10,pos_1_sodium,432.1056468399999,CAIGUMKGQLGFBR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Actaea dahurica,462227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea dahurica'],6,3,7.5 123445,5224,1595,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CAIGUMKGQLGFBR-PZTMCFHLSA-N,"InChI=1S/C21H20O10/c1-30-16-10-12(4-8-15(16)23)5-9-17(24)31-18(19(25)26)21(29,20(27)28)11-13-2-6-14(22)7-3-13/h2-10,18,22-23,29H,11H2,1H3,(H,25,26)(H,27,28)/b9-5+/t18-,21-/m1/s1",COc1cc(/C=C/C(=O)O[C@H](C(=O)O)[C@](O)(Cc2ccc(O)cc2)C(=O)O)ccc1O,C21H20O10,pos_1_sodium,432.1056468399999,CAIGUMKGQLGFBR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Actaea simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],6,3,7.5 123446,5224,1595,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CAIGUMKGQLGFBR-PZTMCFHLSA-N,"InChI=1S/C21H20O10/c1-30-16-10-12(4-8-15(16)23)5-9-17(24)31-18(19(25)26)21(29,20(27)28)11-13-2-6-14(22)7-3-13/h2-10,18,22-23,29H,11H2,1H3,(H,25,26)(H,27,28)/b9-5+/t18-,21-/m1/s1",COc1cc(/C=C/C(=O)O[C@H](C(=O)O)[C@](O)(Cc2ccc(O)cc2)C(=O)O)ccc1O,C21H20O10,pos_1_sodium,432.1056468399999,CAIGUMKGQLGFBR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cimicifuga simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],6,3,7.5 123447,5224,1595,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WBGMKAAMRFEBHK-PZTMCFHLSA-N,"InChI=1S/C21H20O10/c1-30-16-8-4-12(10-15(16)23)5-9-17(24)31-18(19(25)26)21(29,20(27)28)11-13-2-6-14(22)7-3-13/h2-10,18,22-23,29H,11H2,1H3,(H,25,26)(H,27,28)/b9-5+/t18-,21-/m1/s1",COc1ccc(/C=C/C(=O)O[C@H](C(=O)O)[C@](O)(Cc2ccc(O)cc2)C(=O)O)cc1O,C21H20O10,pos_1_sodium,432.1056468399999,WBGMKAAMRFEBHK,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Actaea racemosa,512702.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea racemosa'],6,3,7.5 123448,5224,1595,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WBGMKAAMRFEBHK-PZTMCFHLSA-N,"InChI=1S/C21H20O10/c1-30-16-8-4-12(10-15(16)23)5-9-17(24)31-18(19(25)26)21(29,20(27)28)11-13-2-6-14(22)7-3-13/h2-10,18,22-23,29H,11H2,1H3,(H,25,26)(H,27,28)/b9-5+/t18-,21-/m1/s1",COc1ccc(/C=C/C(=O)O[C@H](C(=O)O)[C@](O)(Cc2ccc(O)cc2)C(=O)O)cc1O,C21H20O10,pos_1_sodium,432.1056468399999,WBGMKAAMRFEBHK,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Actaea dahurica,462227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea dahurica'],6,3,7.5 123449,5224,1595,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WBGMKAAMRFEBHK-PZTMCFHLSA-N,"InChI=1S/C21H20O10/c1-30-16-8-4-12(10-15(16)23)5-9-17(24)31-18(19(25)26)21(29,20(27)28)11-13-2-6-14(22)7-3-13/h2-10,18,22-23,29H,11H2,1H3,(H,25,26)(H,27,28)/b9-5+/t18-,21-/m1/s1",COc1ccc(/C=C/C(=O)O[C@H](C(=O)O)[C@](O)(Cc2ccc(O)cc2)C(=O)O)cc1O,C21H20O10,pos_1_sodium,432.1056468399999,WBGMKAAMRFEBHK,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Actaea simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],6,3,7.5 123473,5224,1595,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WBGMKAAMRFEBHK-PZTMCFHLSA-N,"InChI=1S/C21H20O10/c1-30-16-8-4-12(10-15(16)23)5-9-17(24)31-18(19(25)26)21(29,20(27)28)11-13-2-6-14(22)7-3-13/h2-10,18,22-23,29H,11H2,1H3,(H,25,26)(H,27,28)/b9-5+/t18-,21-/m1/s1",COc1ccc(/C=C/C(=O)O[C@H](C(=O)O)[C@](O)(Cc2ccc(O)cc2)C(=O)O)cc1O,C21H20O10,pos_1_sodium,432.1056468399999,WBGMKAAMRFEBHK,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cimicifuga simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],6,3,7.5 123426,5219,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.63696665,ISDB,LFZAQSKKPHEVOT-UMHPNHICSA-N,"InChI=1S/C25H24O11/c26-16-6-1-14(2-7-16)4-9-21(29)35-19-12-25(34,24(32)33)13-20(23(19)31)36-22(30)10-5-15-3-8-17(27)18(28)11-15/h1-11,19-20,23,26-28,31,34H,12-13H2,(H,32,33)/b9-4+,10-5+/t19-,20-,23+,25-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1O,C25H24O11,,500.131861588,LFZAQSKKPHEVOT,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Dracocephalum ruyschiana,132786.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Dracocephalum'],['Dracocephalum ruyschiana'],4,3,8.047866582870483 123427,5219,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.63696665,ISDB,LFZAQSKKPHEVOT-UHFFFAOYSA-N,"InChI=1S/C25H24O11/c26-16-6-1-14(2-7-16)4-9-21(29)35-19-12-25(34,24(32)33)13-20(23(19)31)36-22(30)10-5-15-3-8-17(27)18(28)11-15/h1-11,19-20,23,26-28,31,34H,12-13H2,(H,32,33)",O=C(C=Cc1ccc(O)cc1)OC1CC(O)(C(=O)O)CC(OC(=O)C=Cc2ccc(O)c(O)c2)C1O,C25H24O11,,500.1318615879999,LFZAQSKKPHEVOT,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Artemisia annua,637444.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia annua'],4,3,8.047866582870483 123361,5218,-1,,,,0.5173213,ISDB,SFMNMSZFHGJDAG-UHFFFAOYSA-N,"InChI=1S/C14H12O6/c1-20-10-5-11(17)13(12(18)6-10)14(19)7-2-8(15)4-9(16)3-7/h2-6,15-18H,1H3",COc1cc(O)c(C(=O)c2cc(O)cc(O)c2)c(O)c1,C14H12O6,,276.063388104,SFMNMSZFHGJDAG,Polyketides,Phloroglucinols,Acyl phloroglucinols,Hypericum annulatum,541328.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Hypericaceae'],['Hypericeae'],['Hypericum'],['Hypericum annulatum'],4,0,6.069285154342651 123359,5217,-1,,,,0.0,MS1_match,SWGKAHCIOQPKFW-JTNORFRNSA-N,"InChI=1S/C13H12O9/c14-7-3-1-6(5-8(7)15)2-4-9(16)22-11(13(20)21)10(17)12(18)19/h1-5,10-11,14-15,17H,(H,18,19)(H,20,21)/b4-2+/t10-,11-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H](C(=O)O)[C@@H](O)C(=O)O,C13H12O9,pos_1_1proton,312.04813196399994,SWGKAHCIOQPKFW,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Hydrastis canadensis,1072050.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Hydrastis'],['Hydrastis canadensis'],6,0,6.0 123360,5217,-1,,,,0.0,MS1_match,SWGKAHCIOQPKFW-JTNORFRNSA-N,"InChI=1S/C13H12O9/c14-7-3-1-6(5-8(7)15)2-4-9(16)22-11(13(20)21)10(17)12(18)19/h1-5,10-11,14-15,17H,(H,18,19)(H,20,21)/b4-2+/t10-,11-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H](C(=O)O)[C@@H](O)C(=O)O,C13H12O9,pos_1_1proton,312.04813196399994,SWGKAHCIOQPKFW,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Hydrastis canadensis,1072050.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Hydrastis'],['Hydrastis canadensis'],6,0,6.0 123344,5215,1169,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,0.0,MS1_match,TYWXNGXVSZRXNA-NVZSGMJQSA-N,"InChI=1S/C11H16O8/c12-3-6-8(14)9(15)10(16)11(19-6)17-4-5-1-2-7(13)18-5/h1-2,5-6,8-12,14-16H,3-4H2/t5-,6+,8+,9-,10+,11+/m0/s1",O=C1C=C[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O1,C11H16O8,pos_1_1proton,276.084517472,TYWXNGXVSZRXNA,,,,Clematis ligusticifolia,964063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis ligusticifolia'],8,0,8.0 123340,5208,-1,,,,0.0,MS1_match,XRIDGQVLGQMCMX-OLEFQQMKSA-N,"InChI=1S/C15H16O7/c1-20-12-6-9(2-4-10(12)16)3-5-14(18)21-8-13-11(17)7-15(19)22-13/h2-6,11,13,16-17H,7-8H2,1H3/b5-3+/t11-,13+/m0/s1",COc1cc(/C=C/C(=O)OC[C@H]2OC(=O)C[C@@H]2O)ccc1O,C15H16O7,pos_1_1proton1ammonium,308.089602852,XRIDGQVLGQMCMX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis terniflora var. mandshurica,446556.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis terniflora'],8,0,8.0 123233,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana rossica,6061718.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana rossica'],6,3,7.5 123234,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana colchica,6061608.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana colchica'],6,3,7.5 123235,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana tuberosa,981574.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana tuberosa'],6,3,7.5 123236,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana altaica,6061579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana altaica'],6,3,7.5 123237,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana grossheimii,6061646.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana grossheimii'],6,3,7.5 123238,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana wolgensis,5746446.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana wolgensis'],6,3,7.5 123239,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana capensis,135852.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana capensis'],6,3,7.5 123240,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana glechomifolia,6061640.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana glechomifolia'],6,3,7.5 123241,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana chionophila,6061606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana chionophila'],6,3,7.5 123242,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana fedtschenkoi,139316.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana longiflora'],6,3,7.5 123243,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana pulvinata,7625148.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana pulvinata'],6,3,7.5 123244,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana dageletiana,7625130.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana dageletiana'],6,3,7.5 123245,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana officinalis var. latifolia,430697.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,3,7.5 123246,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-GUGJDKNPSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20-,21+,22+/m0/s1",CC(=O)OCC1=CO[C@H](OC(=O)CC(C)C)[C@@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.19406792,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana microphylla,21453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana microphylla'],6,3,7.5 123247,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana sitchensis,21459.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana sitchensis'],6,3,7.5 123248,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plectritis macrocera,945858.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Plectritis'],['Plectritis macrocera'],6,3,7.5 123249,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plectritis congesta,830567.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Plectritis'],['Plectritis congesta'],6,3,7.5 123250,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana pseudofficinalis,245963.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana pseudofficinalis'],6,3,7.5 123251,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Centranthus macrosiphon,231861.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Centranthus'],['Centranthus macrosiphon'],6,3,7.5 123252,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Centranthus ruber,759056.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Centranthus'],['Centranthus ruber'],6,3,7.5 123253,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valerianella dentata,476255.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valerianella'],['Valerianella dentata'],6,3,7.5 123254,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Fedia cornucopiae,945863.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Fedia'],['Fedia cornucopiae'],6,3,7.5 123255,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valerianella coronata,445620.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valerianella'],['Valerianella coronata'],6,3,7.5 123256,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,3,7.5 123257,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana alpestris,5746412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana alpestris'],6,3,7.5 123258,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana sambucifolia,746279.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana sambucifolia'],6,3,7.5 123259,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana capitata,746281.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana capitata'],6,3,7.5 123260,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana tripteris,445625.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana tripteris'],6,3,7.5 123261,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,XLACUABANMZLCJ-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)O[C@H]1C=C2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,XLACUABANMZLCJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana capensis,135852.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana capensis'],6,3,7.5 123262,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,XLACUABANMZLCJ-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)O[C@H]1C=C2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,XLACUABANMZLCJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana pulvinata,7625148.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana pulvinata'],6,3,7.5 123263,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,XLACUABANMZLCJ-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)O[C@H]1C=C2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,XLACUABANMZLCJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana microphylla,21453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana microphylla'],6,3,7.5 123264,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,XLACUABANMZLCJ-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)O[C@H]1C=C2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,XLACUABANMZLCJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana sitchensis,21459.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana sitchensis'],6,3,7.5 123265,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,XLACUABANMZLCJ-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)O[C@H]1C=C2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,XLACUABANMZLCJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plectritis macrocera,945858.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Plectritis'],['Plectritis macrocera'],6,3,7.5 123266,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,XLACUABANMZLCJ-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)O[C@H]1C=C2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,XLACUABANMZLCJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plectritis congesta,830567.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Plectritis'],['Plectritis congesta'],6,3,7.5 123267,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,XLACUABANMZLCJ-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)O[C@H]1C=C2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,XLACUABANMZLCJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Centranthus macrosiphon,231861.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Centranthus'],['Centranthus macrosiphon'],6,3,7.5 123268,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,XLACUABANMZLCJ-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)O[C@H]1C=C2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,XLACUABANMZLCJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Centranthus ruber,759056.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Centranthus'],['Centranthus ruber'],6,3,7.5 123269,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,XLACUABANMZLCJ-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)O[C@H]1C=C2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,XLACUABANMZLCJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valerianella dentata,476255.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valerianella'],['Valerianella dentata'],6,3,7.5 123270,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,XLACUABANMZLCJ-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)O[C@H]1C=C2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,XLACUABANMZLCJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valerianella coronata,445620.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valerianella'],['Valerianella coronata'],6,3,7.5 123271,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,XLACUABANMZLCJ-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)O[C@H]1C=C2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,XLACUABANMZLCJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Fedia cornucopiae,945863.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Fedia'],['Fedia cornucopiae'],6,3,7.5 123272,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,XLACUABANMZLCJ-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)O[C@H]1C=C2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,XLACUABANMZLCJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana sambucifolia,746279.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana sambucifolia'],6,3,7.5 123273,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,XLACUABANMZLCJ-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)O[C@H]1C=C2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,XLACUABANMZLCJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valerianella locusta,459098.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valerianella'],['Valerianella locusta'],6,3,7.5 123274,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,XLACUABANMZLCJ-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)O[C@H]1C=C2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,XLACUABANMZLCJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,3,7.5 123275,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,XLACUABANMZLCJ-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)O[C@H]1C=C2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,XLACUABANMZLCJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana micropterina,6061682.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana micropterina'],6,3,7.5 123276,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,XLACUABANMZLCJ-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)O[C@H]1C=C2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,XLACUABANMZLCJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana eriophylla,6061633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana eriophylla'],6,3,7.5 123277,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,XLACUABANMZLCJ-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)O[C@H]1C=C2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,XLACUABANMZLCJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana pulchella,5746422.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana pulchella'],6,3,7.5 123278,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,XLACUABANMZLCJ-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)O[C@H]1C=C2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,XLACUABANMZLCJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana prionophylla,526653.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana prionophylla'],6,3,7.5 123279,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,XLACUABANMZLCJ-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)O[C@H]1C=C2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,XLACUABANMZLCJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana condamoana,6061611.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana condamoana'],6,3,7.5 123280,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,XLACUABANMZLCJ-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)O[C@H]1C=C2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,XLACUABANMZLCJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana edulis,646604.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana edulis'],6,3,7.5 123281,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,XLACUABANMZLCJ-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)O[C@H]1C=C2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,XLACUABANMZLCJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,3,7.5 123282,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana,393345.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Unknown'],6,3,7.5 123283,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-UHFFFAOYSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3",CC(=O)OCC1=COC(OC(=O)CC(C)C)C2C1=CC(OC(=O)CC(C)C)C21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana alliariifolia,5746411.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana alliariifolia'],6,3,7.5 123284,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana stolonifera,5746447.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana stolonifera'],6,3,7.5 123285,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,XLACUABANMZLCJ-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)O[C@H]1C=C2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,XLACUABANMZLCJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana sorbifolia,445623.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana sorbifolia'],6,3,7.5 123286,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valerianella locusta,459098.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valerianella'],['Valerianella locusta'],6,3,7.5 123287,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-UHFFFAOYSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3",CC(=O)OCC1=COC(OC(=O)CC(C)C)C2C1=CC(OC(=O)CC(C)C)C21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Centranthus,759046.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Centranthus'],['Unknown'],6,3,7.5 123288,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-GUGJDKNPSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20-,21+,22+/m0/s1",CC(=O)OCC1=CO[C@H](OC(=O)CC(C)C)[C@@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.19406792,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana microphylla,21453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana microphylla'],6,3,7.5 123289,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana sitchensis,21459.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana sitchensis'],6,3,7.5 123290,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plectritis macrocera,945858.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Plectritis'],['Plectritis macrocera'],6,3,7.5 123291,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plectritis congesta,830567.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Plectritis'],['Plectritis congesta'],6,3,7.5 123292,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana pseudofficinalis,245963.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana pseudofficinalis'],6,3,7.5 123293,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Centranthus macrosiphon,231861.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Centranthus'],['Centranthus macrosiphon'],6,3,7.5 123294,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Centranthus ruber,759056.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Centranthus'],['Centranthus ruber'],6,3,7.5 123295,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valerianella dentata,476255.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valerianella'],['Valerianella dentata'],6,3,7.5 123296,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Fedia cornucopiae,945863.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Fedia'],['Fedia cornucopiae'],6,3,7.5 123297,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valerianella coronata,445620.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valerianella'],['Valerianella coronata'],6,3,7.5 123298,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,3,7.5 123299,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana sambucifolia,746279.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana sambucifolia'],6,3,7.5 123300,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valerianella locusta,459098.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valerianella'],['Valerianella locusta'],6,3,7.5 123301,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-UHFFFAOYSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3",CC(=O)OCC1=COC(OC(=O)CC(C)C)C2C1=CC(OC(=O)CC(C)C)C21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana sorbifolia,445623.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana sorbifolia'],6,3,7.5 123302,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-UHFFFAOYSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3",CC(=O)OCC1=COC(OC(=O)CC(C)C)C2C1=CC(OC(=O)CC(C)C)C21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Centranthus,759046.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Centranthus'],['Unknown'],6,3,7.5 123303,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana pulchella,5746422.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana pulchella'],6,3,7.5 123304,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana prionophylla,526653.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana prionophylla'],6,3,7.5 123305,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana condamoana,6061611.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana condamoana'],6,3,7.5 123306,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana micropterina,6061682.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana micropterina'],6,3,7.5 123307,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana edulis,646604.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana edulis'],6,3,7.5 123308,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,3,7.5 123309,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana cardamines,6061598.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana cardamines'],6,3,7.5 123310,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana eriophylla,6061633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana eriophylla'],6,3,7.5 123311,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana officinalis var. latifolia,430697.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,3,7.5 123312,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-UHFFFAOYSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3",CC(=O)OCC1=COC(OC(=O)CC(C)C)C2C1=CC(OC(=O)CC(C)C)C21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana sorbifolia,445623.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana sorbifolia'],6,3,7.5 123313,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana dageletiana,7625130.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana dageletiana'],6,3,7.5 123314,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana fedtschenkoi,139316.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana longiflora'],6,3,7.5 123315,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana pulchella,5746422.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana pulchella'],6,3,7.5 123316,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana prionophylla,526653.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana prionophylla'],6,3,7.5 123317,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana condamoana,6061611.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana condamoana'],6,3,7.5 123318,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana micropterina,6061682.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana micropterina'],6,3,7.5 123319,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana edulis,646604.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana edulis'],6,3,7.5 123320,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,3,7.5 123321,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana cardamines,6061598.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana cardamines'],6,3,7.5 123322,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana eriophylla,6061633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana eriophylla'],6,3,7.5 123323,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana rossica,6061718.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana rossica'],6,3,7.5 123324,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana,393345.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Unknown'],6,3,7.5 123325,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-UHFFFAOYSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3",CC(=O)OCC1=COC(OC(=O)CC(C)C)C2C1=CC(OC(=O)CC(C)C)C21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana alliariifolia,5746411.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana alliariifolia'],6,3,7.5 123326,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana tripteris,445625.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana tripteris'],6,3,7.5 123327,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana stolonifera,5746447.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana stolonifera'],6,3,7.5 123328,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana capitata,746281.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana capitata'],6,3,7.5 123329,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana alpestris,5746412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana alpestris'],6,3,7.5 123330,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana colchica,6061608.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana colchica'],6,3,7.5 123331,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana tuberosa,981574.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana tuberosa'],6,3,7.5 123332,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana altaica,6061579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana altaica'],6,3,7.5 123333,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana grossheimii,6061646.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana grossheimii'],6,3,7.5 123334,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana wolgensis,5746446.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana wolgensis'],6,3,7.5 123335,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana capensis,135852.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana capensis'],6,3,7.5 123336,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana glechomifolia,6061640.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana glechomifolia'],6,3,7.5 123337,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana chionophila,6061606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana chionophila'],6,3,7.5 123338,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana pulvinata,7625148.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana pulvinata'],6,3,7.5 123339,5207,261,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,XLACUABANMZLCJ-UHFFFAOYSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3",CC(=O)OC1C=C2C(COC(=O)CC(C)C)=COC(OC(=O)CC(C)C)C2C12CO2,C22H30O8,pos_1_1proton2acetonitrile,422.1940679199999,XLACUABANMZLCJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana,393345.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Unknown'],6,3,7.5 123228,5206,122,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Iridoids monoterpenoids,0.69849014,ISDB,,,,,,,IVIAHIHQJAGOAK,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.7939605712890625 123053,5203,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.25920695,ISDB,QURCVMIEKCOAJU-HWKANZROSA-N,"InChI=1S/C10H10O4/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+",COc1ccc(/C=C/C(=O)O)cc1O,C10H10O4,,194.0579088,QURCVMIEKCOAJU,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,3,8.536827802658081 123031,5202,1127,Alkaloids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MTGTYFYLZVUKQG-ZUVWSUMTSA-N,"InChI=1S/C20H18O10/c21-13-5-1-12(2-6-13)10-20(29,19(27)28)17(18(25)26)30-16(24)8-4-11-3-7-14(22)15(23)9-11/h1-9,17,21-23,29H,10H2,(H,25,26)(H,27,28)/b8-4+/t17-,20-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](C(=O)O)[C@](O)(Cc1ccc(O)cc1)C(=O)O,C20H18O10,pos_1_1proton1methanol,418.0899967759999,MTGTYFYLZVUKQG,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Actaea racemosa,512702.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea racemosa'],6,3,7.5 123032,5202,1127,Alkaloids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NIDSBIYSGNHVDL-ZUVWSUMTSA-N,"InChI=1S/C20H18O10/c21-13-5-1-11(2-6-13)4-8-16(24)30-17(18(25)26)20(29,19(27)28)10-12-3-7-14(22)15(23)9-12/h1-9,17,21-23,29H,10H2,(H,25,26)(H,27,28)/b8-4+/t17-,20-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H](C(=O)O)[C@](O)(Cc1ccc(O)c(O)c1)C(=O)O,C20H18O10,pos_1_1proton1methanol,418.089996776,NIDSBIYSGNHVDL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Actaea elata,988729.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea elata'],6,3,7.5 123033,5202,1127,Alkaloids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NIDSBIYSGNHVDL-ZUVWSUMTSA-N,"InChI=1S/C20H18O10/c21-13-5-1-11(2-6-13)4-8-16(24)30-17(18(25)26)20(29,19(27)28)10-12-3-7-14(22)15(23)9-12/h1-9,17,21-23,29H,10H2,(H,25,26)(H,27,28)/b8-4+/t17-,20-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H](C(=O)O)[C@](O)(Cc1ccc(O)c(O)c1)C(=O)O,C20H18O10,pos_1_1proton1methanol,418.089996776,NIDSBIYSGNHVDL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Actaea cimicifuga,988720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea cimicifuga'],6,3,7.5 123034,5202,1127,Alkaloids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NIDSBIYSGNHVDL-ZUVWSUMTSA-N,"InChI=1S/C20H18O10/c21-13-5-1-11(2-6-13)4-8-16(24)30-17(18(25)26)20(29,19(27)28)10-12-3-7-14(22)15(23)9-12/h1-9,17,21-23,29H,10H2,(H,25,26)(H,27,28)/b8-4+/t17-,20-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H](C(=O)O)[C@](O)(Cc1ccc(O)c(O)c1)C(=O)O,C20H18O10,pos_1_1proton1methanol,418.089996776,NIDSBIYSGNHVDL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Actaea simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],6,3,7.5 123035,5202,1127,Alkaloids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NIDSBIYSGNHVDL-ZUVWSUMTSA-N,"InChI=1S/C20H18O10/c21-13-5-1-11(2-6-13)4-8-16(24)30-17(18(25)26)20(29,19(27)28)10-12-3-7-14(22)15(23)9-12/h1-9,17,21-23,29H,10H2,(H,25,26)(H,27,28)/b8-4+/t17-,20-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H](C(=O)O)[C@](O)(Cc1ccc(O)c(O)c1)C(=O)O,C20H18O10,pos_1_1proton1methanol,418.089996776,NIDSBIYSGNHVDL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Actaea heracleifolia,988745.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea heracleifolia'],6,3,7.5 123036,5202,1127,Alkaloids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NIDSBIYSGNHVDL-UHFFFAOYSA-N,"InChI=1S/C20H18O10/c21-13-5-1-11(2-6-13)4-8-16(24)30-17(18(25)26)20(29,19(27)28)10-12-3-7-14(22)15(23)9-12/h1-9,17,21-23,29H,10H2,(H,25,26)(H,27,28)",O=C(C=Cc1ccc(O)cc1)OC(C(=O)O)C(O)(Cc1ccc(O)c(O)c1)C(=O)O,C20H18O10,pos_1_1proton1methanol,418.089996776,NIDSBIYSGNHVDL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Actaea dahurica,462227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea dahurica'],6,3,7.5 123037,5202,1127,Alkaloids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MTGTYFYLZVUKQG-ZUVWSUMTSA-N,"InChI=1S/C20H18O10/c21-13-5-1-12(2-6-13)10-20(29,19(27)28)17(18(25)26)30-16(24)8-4-11-3-7-14(22)15(23)9-11/h1-9,17,21-23,29H,10H2,(H,25,26)(H,27,28)/b8-4+/t17-,20-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](C(=O)O)[C@](O)(Cc1ccc(O)cc1)C(=O)O,C20H18O10,pos_1_1proton1methanol,418.0899967759999,MTGTYFYLZVUKQG,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cimicifuga simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],6,3,7.5 123038,5202,1127,Alkaloids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MTGTYFYLZVUKQG-ZUVWSUMTSA-N,"InChI=1S/C20H18O10/c21-13-5-1-12(2-6-13)10-20(29,19(27)28)17(18(25)26)30-16(24)8-4-11-3-7-14(22)15(23)9-11/h1-9,17,21-23,29H,10H2,(H,25,26)(H,27,28)/b8-4+/t17-,20-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](C(=O)O)[C@](O)(Cc1ccc(O)cc1)C(=O)O,C20H18O10,pos_1_1proton1methanol,418.0899967759999,MTGTYFYLZVUKQG,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Actaea simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],6,3,7.5 123039,5202,1127,Alkaloids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MTGTYFYLZVUKQG-ZUVWSUMTSA-N,"InChI=1S/C20H18O10/c21-13-5-1-12(2-6-13)10-20(29,19(27)28)17(18(25)26)30-16(24)8-4-11-3-7-14(22)15(23)9-11/h1-9,17,21-23,29H,10H2,(H,25,26)(H,27,28)/b8-4+/t17-,20-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](C(=O)O)[C@](O)(Cc1ccc(O)cc1)C(=O)O,C20H18O10,pos_1_1proton1methanol,418.0899967759999,MTGTYFYLZVUKQG,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Actaea dahurica,462227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea dahurica'],6,3,7.5 123040,5202,1127,Alkaloids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NIDSBIYSGNHVDL-ZUVWSUMTSA-N,"InChI=1S/C20H18O10/c21-13-5-1-11(2-6-13)4-8-16(24)30-17(18(25)26)20(29,19(27)28)10-12-3-7-14(22)15(23)9-12/h1-9,17,21-23,29H,10H2,(H,25,26)(H,27,28)/b8-4+/t17-,20-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H](C(=O)O)[C@](O)(Cc1ccc(O)c(O)c1)C(=O)O,C20H18O10,pos_1_1proton1methanol,418.089996776,NIDSBIYSGNHVDL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Actaea japonica,988749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea japonica'],6,3,7.5 123041,5202,1127,Alkaloids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NIDSBIYSGNHVDL-ZUVWSUMTSA-N,"InChI=1S/C20H18O10/c21-13-5-1-11(2-6-13)4-8-16(24)30-17(18(25)26)20(29,19(27)28)10-12-3-7-14(22)15(23)9-12/h1-9,17,21-23,29H,10H2,(H,25,26)(H,27,28)/b8-4+/t17-,20-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H](C(=O)O)[C@](O)(Cc1ccc(O)c(O)c1)C(=O)O,C20H18O10,pos_1_1proton1methanol,418.089996776,NIDSBIYSGNHVDL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cimicifuga simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],6,3,7.5 123016,5201,-1,,,,0.0,MS1_match,TYWXNGXVSZRXNA-NVZSGMJQSA-N,"InChI=1S/C11H16O8/c12-3-6-8(14)9(15)10(16)11(19-6)17-4-5-1-2-7(13)18-5/h1-2,5-6,8-12,14-16H,3-4H2/t5-,6+,8+,9-,10+,11+/m0/s1",O=C1C=C[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O1,C11H16O8,pos_1_1potassium,276.084517472,TYWXNGXVSZRXNA,,,,Clematis ligusticifolia,964063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis ligusticifolia'],8,0,8.0 122986,5200,246,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.935073,ISDB,IGLUNMMNDNWZOA-UHFFFAOYSA-N,"InChI=1S/C23H22O13/c1-8(24)33-7-15-17(29)19(31)20(32)23(35-15)36-22-18(30)16-13(28)5-10(25)6-14(16)34-21(22)9-2-3-11(26)12(27)4-9/h2-6,15,17,19-20,23,25-29,31-32H,7H2,1H3",CC(=O)OCC1OC(Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O,C23H22O13,,506.106040764,IGLUNMMNDNWZOA,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Hymenoxys hoopesii,950020.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Helenieae'],['Hymenoxys'],['Hymenoxys hoopesii'],4,3,9.240292072296143 122987,5200,246,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.935073,ISDB,IGLUNMMNDNWZOA-UHFFFAOYSA-N,"InChI=1S/C23H22O13/c1-8(24)33-7-15-17(29)19(31)20(32)23(35-15)36-22-18(30)16-13(28)5-10(25)6-14(16)34-21(22)9-2-3-11(26)12(27)4-9/h2-6,15,17,19-20,23,25-29,31-32H,7H2,1H3",CC(=O)OCC1OC(Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O,C23H22O13,,506.106040764,IGLUNMMNDNWZOA,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Peucedanum ostruthium,435990.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Selineae'],['Peucedanum'],['Peucedanum ostruthium'],4,3,9.240292072296143 122988,5200,246,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.935073,ISDB,IGLUNMMNDNWZOA-LNNZMUSMSA-N,"InChI=1S/C23H22O13/c1-8(24)33-7-15-17(29)19(31)20(32)23(35-15)36-22-18(30)16-13(28)5-10(25)6-14(16)34-21(22)9-2-3-11(26)12(27)4-9/h2-6,15,17,19-20,23,25-29,31-32H,7H2,1H3/t15-,17-,19+,20-,23+/m1/s1",CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C23H22O13,,506.10604076399983,IGLUNMMNDNWZOA,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Morus bombycis,210686.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Morus'],['Morus bombycis'],4,3,9.240292072296143 122989,5200,246,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.935073,ISDB,IGLUNMMNDNWZOA-LNNZMUSMSA-N,"InChI=1S/C23H22O13/c1-8(24)33-7-15-17(29)19(31)20(32)23(35-15)36-22-18(30)16-13(28)5-10(25)6-14(16)34-21(22)9-2-3-11(26)12(27)4-9/h2-6,15,17,19-20,23,25-29,31-32H,7H2,1H3/t15-,17-,19+,20-,23+/m1/s1",CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C23H22O13,,506.10604076399983,IGLUNMMNDNWZOA,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cyclamen persicum,477897.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Primulaceae'],['Unknown'],['Cyclamen'],['Cyclamen persicum'],4,3,9.240292072296143 122990,5200,246,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.935073,ISDB,IGLUNMMNDNWZOA-LNNZMUSMSA-N,"InChI=1S/C23H22O13/c1-8(24)33-7-15-17(29)19(31)20(32)23(35-15)36-22-18(30)16-13(28)5-10(25)6-14(16)34-21(22)9-2-3-11(26)12(27)4-9/h2-6,15,17,19-20,23,25-29,31-32H,7H2,1H3/t15-,17-,19+,20-,23+/m1/s1",CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C23H22O13,,506.10604076399983,IGLUNMMNDNWZOA,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Arnica longifolia,384106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Madieae'],['Arnica'],['Arnica longifolia'],4,3,9.240292072296143 122991,5200,246,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.935073,ISDB,IGLUNMMNDNWZOA-QZGPLKIZSA-N,"InChI=1S/C23H22O13/c1-8(24)33-7-15-17(29)19(31)20(32)23(35-15)36-22-18(30)16-13(28)5-10(25)6-14(16)34-21(22)9-2-3-11(26)12(27)4-9/h2-6,15,17,19-20,23,25-29,31-32H,7H2,1H3/t15-,17+,19+,20-,23+/m1/s1",CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@H]1O,C23H22O13,,506.10604076399983,IGLUNMMNDNWZOA,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Delphinium oliverianum,733345.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida oliveriana'],4,3,9.240292072296143 122992,5200,246,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.935073,ISDB,IGLUNMMNDNWZOA-LNNZMUSMSA-N,"InChI=1S/C23H22O13/c1-8(24)33-7-15-17(29)19(31)20(32)23(35-15)36-22-18(30)16-13(28)5-10(25)6-14(16)34-21(22)9-2-3-11(26)12(27)4-9/h2-6,15,17,19-20,23,25-29,31-32H,7H2,1H3/t15-,17-,19+,20-,23+/m1/s1",CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C23H22O13,,506.10604076399983,IGLUNMMNDNWZOA,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Stachyurus himalaicus,1015897.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Crossosomatales'],['Stachyuraceae'],['Unknown'],['Stachyurus'],['Stachyurus himalaicus'],4,3,9.240292072296143 122993,5200,246,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.935073,ISDB,IGLUNMMNDNWZOA-QZGPLKIZSA-N,"InChI=1S/C23H22O13/c1-8(24)33-7-15-17(29)19(31)20(32)23(35-15)36-22-18(30)16-13(28)5-10(25)6-14(16)34-21(22)9-2-3-11(26)12(27)4-9/h2-6,15,17,19-20,23,25-29,31-32H,7H2,1H3/t15-,17+,19+,20-,23+/m1/s1",CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@H]1O,C23H22O13,,506.10604076399983,IGLUNMMNDNWZOA,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Nymphaea odorata,583519.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Nymphaeales'],['Nymphaeaceae'],['Unknown'],['Nymphaea'],['Nymphaea odorata'],4,3,9.240292072296143 122994,5200,246,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.935073,ISDB,IGLUNMMNDNWZOA-LNNZMUSMSA-N,"InChI=1S/C23H22O13/c1-8(24)33-7-15-17(29)19(31)20(32)23(35-15)36-22-18(30)16-13(28)5-10(25)6-14(16)34-21(22)9-2-3-11(26)12(27)4-9/h2-6,15,17,19-20,23,25-29,31-32H,7H2,1H3/t15-,17-,19+,20-,23+/m1/s1",CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C23H22O13,,506.10604076399983,IGLUNMMNDNWZOA,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Senecio mairetianus,136447.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio mairetianus'],4,3,9.240292072296143 122995,5200,246,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.935073,ISDB,IGLUNMMNDNWZOA-LNNZMUSMSA-N,"InChI=1S/C23H22O13/c1-8(24)33-7-15-17(29)19(31)20(32)23(35-15)36-22-18(30)16-13(28)5-10(25)6-14(16)34-21(22)9-2-3-11(26)12(27)4-9/h2-6,15,17,19-20,23,25-29,31-32H,7H2,1H3/t15-,17-,19+,20-,23+/m1/s1",CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C23H22O13,,506.10604076399983,IGLUNMMNDNWZOA,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Heterophyllaea pustulata,1041897.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Coussareeae'],['Heterophyllaea'],['Heterophyllaea pustulata'],4,3,9.240292072296143 122996,5200,246,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.935073,ISDB,IGLUNMMNDNWZOA-LNNZMUSMSA-N,"InChI=1S/C23H22O13/c1-8(24)33-7-15-17(29)19(31)20(32)23(35-15)36-22-18(30)16-13(28)5-10(25)6-14(16)34-21(22)9-2-3-11(26)12(27)4-9/h2-6,15,17,19-20,23,25-29,31-32H,7H2,1H3/t15-,17-,19+,20-,23+/m1/s1",CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C23H22O13,,506.10604076399983,IGLUNMMNDNWZOA,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Sarcopyramis bodinieri,7057904.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Melastomataceae'],['Unknown'],['Sarcopyramis'],['Sarcopyramis bodinieri'],4,3,9.240292072296143 122997,5200,246,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.935073,ISDB,IGLUNMMNDNWZOA-LNNZMUSMSA-N,"InChI=1S/C23H22O13/c1-8(24)33-7-15-17(29)19(31)20(32)23(35-15)36-22-18(30)16-13(28)5-10(25)6-14(16)34-21(22)9-2-3-11(26)12(27)4-9/h2-6,15,17,19-20,23,25-29,31-32H,7H2,1H3/t15-,17-,19+,20-,23+/m1/s1",CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C23H22O13,,506.10604076399983,IGLUNMMNDNWZOA,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Morus indica,307703.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Morus'],['Morus indica'],4,3,9.240292072296143 122998,5200,246,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.935073,ISDB,IGLUNMMNDNWZOA-LNNZMUSMSA-N,"InChI=1S/C23H22O13/c1-8(24)33-7-15-17(29)19(31)20(32)23(35-15)36-22-18(30)16-13(28)5-10(25)6-14(16)34-21(22)9-2-3-11(26)12(27)4-9/h2-6,15,17,19-20,23,25-29,31-32H,7H2,1H3/t15-,17-,19+,20-,23+/m1/s1",CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C23H22O13,,506.10604076399983,IGLUNMMNDNWZOA,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Marrubium velutinum,6081214.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Marrubieae'],['Marrubium'],['Marrubium velutinum'],4,3,9.240292072296143 122999,5200,246,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.935073,ISDB,IGLUNMMNDNWZOA-LNNZMUSMSA-N,"InChI=1S/C23H22O13/c1-8(24)33-7-15-17(29)19(31)20(32)23(35-15)36-22-18(30)16-13(28)5-10(25)6-14(16)34-21(22)9-2-3-11(26)12(27)4-9/h2-6,15,17,19-20,23,25-29,31-32H,7H2,1H3/t15-,17-,19+,20-,23+/m1/s1",CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C23H22O13,,506.10604076399983,IGLUNMMNDNWZOA,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Morus alba,658488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Morus'],['Morus alba'],4,3,9.240292072296143 123000,5200,246,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.935073,ISDB,IGLUNMMNDNWZOA-LNNZMUSMSA-N,"InChI=1S/C23H22O13/c1-8(24)33-7-15-17(29)19(31)20(32)23(35-15)36-22-18(30)16-13(28)5-10(25)6-14(16)34-21(22)9-2-3-11(26)12(27)4-9/h2-6,15,17,19-20,23,25-29,31-32H,7H2,1H3/t15-,17-,19+,20-,23+/m1/s1",CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C23H22O13,,506.10604076399983,IGLUNMMNDNWZOA,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Morus australis,210689.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Morus'],['Morus australis'],4,3,9.240292072296143 123001,5200,246,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.935073,ISDB,IGLUNMMNDNWZOA-LNNZMUSMSA-N,"InChI=1S/C23H22O13/c1-8(24)33-7-15-17(29)19(31)20(32)23(35-15)36-22-18(30)16-13(28)5-10(25)6-14(16)34-21(22)9-2-3-11(26)12(27)4-9/h2-6,15,17,19-20,23,25-29,31-32H,7H2,1H3/t15-,17-,19+,20-,23+/m1/s1",CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C23H22O13,,506.10604076399983,IGLUNMMNDNWZOA,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Petasites japonicus,47000.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Petasites'],['Petasites japonicus'],4,3,9.240292072296143 122977,5199,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.95331293,ISDB,XEXCLTHHXIWUHO-UHFFFAOYSA-N,"InChI=1S/C24H22O14/c25-10-3-1-9(2-4-10)22-23(19(32)17-12(27)5-11(26)6-13(17)36-22)38-24-21(34)20(33)18(31)14(37-24)8-35-16(30)7-15(28)29/h1-6,14,18,20-21,24-27,31,33-34H,7-8H2,(H,28,29)",O=C(O)CC(=O)OCC1OC(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O,C24H22O14,,534.1009553839998,XEXCLTHHXIWUHO,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rubus adenotrichus,3906459.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus adenotrichos'],4,3,9.313251733779907 122978,5199,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.95331293,ISDB,XEXCLTHHXIWUHO-UHFFFAOYSA-N,"InChI=1S/C24H22O14/c25-10-3-1-9(2-4-10)22-23(19(32)17-12(27)5-11(26)6-13(17)36-22)38-24-21(34)20(33)18(31)14(37-24)8-35-16(30)7-15(28)29/h1-6,14,18,20-21,24-27,31,33-34H,7-8H2,(H,28,29)",O=C(O)CC(=O)OCC1OC(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O,C24H22O14,,534.1009553839998,XEXCLTHHXIWUHO,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rubus adenotrichos,3906459.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus adenotrichos'],4,3,9.313251733779907 122979,5199,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.95331293,ISDB,XEXCLTHHXIWUHO-CFXCJESKSA-N,"InChI=1S/C24H22O14/c25-10-3-1-9(2-4-10)22-23(19(32)17-12(27)5-11(26)6-13(17)36-22)38-24-21(34)20(33)18(31)14(37-24)8-35-16(30)7-15(28)29/h1-6,14,18,20-21,24-27,31,33-34H,7-8H2,(H,28,29)/t14-,18-,20-,21+,24+/m1/s1",O=C(O)CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)[C@@H](O)[C@H](O)[C@@H]1O,C24H22O14,,534.1009553839998,XEXCLTHHXIWUHO,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Phaseolus vulgaris,825707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Phaseolus'],['Phaseolus vulgaris'],4,3,9.313251733779907 122980,5199,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.95331293,ISDB,XEXCLTHHXIWUHO-CFXCJESKSA-N,"InChI=1S/C24H22O14/c25-10-3-1-9(2-4-10)22-23(19(32)17-12(27)5-11(26)6-13(17)36-22)38-24-21(34)20(33)18(31)14(37-24)8-35-16(30)7-15(28)29/h1-6,14,18,20-21,24-27,31,33-34H,7-8H2,(H,28,29)/t14-,18-,20-,21+,24+/m1/s1",O=C(O)CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)[C@@H](O)[C@H](O)[C@@H]1O,C24H22O14,,534.1009553839998,XEXCLTHHXIWUHO,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Morus alba,658488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Morus'],['Morus alba'],4,3,9.313251733779907 122981,5199,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.95331293,ISDB,XEXCLTHHXIWUHO-CFXCJESKSA-N,"InChI=1S/C24H22O14/c25-10-3-1-9(2-4-10)22-23(19(32)17-12(27)5-11(26)6-13(17)36-22)38-24-21(34)20(33)18(31)14(37-24)8-35-16(30)7-15(28)29/h1-6,14,18,20-21,24-27,31,33-34H,7-8H2,(H,28,29)/t14-,18-,20-,21+,24+/m1/s1",O=C(O)CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)[C@@H](O)[C@H](O)[C@@H]1O,C24H22O14,,534.1009553839998,XEXCLTHHXIWUHO,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Humulus lupulus,84020.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Cannabaceae'],['Unknown'],['Humulus'],['Humulus lupulus'],4,3,9.313251733779907 122982,5199,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.95331293,ISDB,XEXCLTHHXIWUHO-NHODZQDWSA-N,"InChI=1S/C24H22O14/c25-10-3-1-9(2-4-10)22-23(19(32)17-12(27)5-11(26)6-13(17)36-22)38-24-21(34)20(33)18(31)14(37-24)8-35-16(30)7-15(28)29/h1-6,14,18,20-21,24-27,31,33-34H,7-8H2,(H,28,29)/t14-,18-,20?,21?,24+/m1/s1",O=C(O)CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)[C@@H]1O,C24H22O14,,534.1009553839998,XEXCLTHHXIWUHO,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Vitex negundo var. cannabifolia,883037.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Vitex'],['Vitex negundo'],4,3,9.313251733779907 122975,5198,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,HYPGAWDRWVQHEX-UHFFFAOYSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(15(22)23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2",O=C(C=Cc1ccc(O)c(O)c1)OC1C(O)OC(CO)C(O)C1O,C15H18O9,pos_1_1proton1acetonitrile,342.095082156,HYPGAWDRWVQHEX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Dipsacus inermis,776357.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Dipsacus'],['Dipsacus inermis'],6,3,7.5 122976,5198,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,HYPGAWDRWVQHEX-UHFFFAOYSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(15(22)23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2",O=C(C=Cc1ccc(O)c(O)c1)OC1C(O)OC(CO)C(O)C1O,C15H18O9,pos_1_1proton1acetonitrile,342.095082156,HYPGAWDRWVQHEX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Dipsacus asper,365911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Dipsacus'],['Dipsacus asper'],6,3,7.5 122968,5196,-1,,,,0.0,MS1_match,SXGSYHDLSPXCMU-UHFFFAOYSA-N,"InChI=1S/C26H34O12/c1-34-18-8-14(4-5-16(18)29)24-15(10-27)26(33,12-36-24)9-13-3-6-17(19(7-13)35-2)37-25-23(32)22(31)21(30)20(11-28)38-25/h3-8,15,20-25,27-33H,9-12H2,1-2H3",COc1cc(C2OCC(O)(Cc3ccc(OC4OC(CO)C(O)C(O)C4O)c(OC)c3)C2CO)ccc1O,C26H34O12,pos_1_1potassium,538.205026528,SXGSYHDLSPXCMU,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 122969,5196,-1,,,,0.0,MS1_match,SXGSYHDLSPXCMU-UHFFFAOYSA-N,"InChI=1S/C26H34O12/c1-34-18-8-14(4-5-16(18)29)24-15(10-27)26(33,12-36-24)9-13-3-6-17(19(7-13)35-2)37-25-23(32)22(31)21(30)20(11-28)38-25/h3-8,15,20-25,27-33H,9-12H2,1-2H3",COc1cc(C2OCC(O)(Cc3ccc(OC4OC(CO)C(O)C(O)C4O)c(OC)c3)C2CO)ccc1O,C26H34O12,pos_1_1potassium,538.205026528,SXGSYHDLSPXCMU,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 122970,5196,-1,,,,0.0,MS1_match,QNDLGCSMZUBKMI-ASTYLPHCSA-N,"InChI=1S/C26H34O12/c1-14(27)32-11-17-12-33-23(36-21(31)10-25(6,7)38-16(3)29)22-18(17)8-19(26(22)13-34-26)35-20(30)9-24(4,5)37-15(2)28/h8,12,19,22-23H,9-11,13H2,1-7H3/t19-,22+,23-,26+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)(C)OC(C)=O)[C@H]2C1=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1,C26H34O12,pos_1_1potassium,538.205026528,QNDLGCSMZUBKMI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana pulvinata,7625148.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana pulvinata'],6,0,6.0 122971,5196,-1,,,,0.0,MS1_match,WDTFNYPORMFVPG-UHFFFAOYSA-N,"InChI=1S/C26H34O12/c1-35-17-5-12(3-4-16(17)30)21-14-7-19(37-25-24(33)23(32)22(31)20(10-28)38-25)18(36-2)6-13(14)8-26(34,11-29)15(21)9-27/h3-7,15,20-25,27-34H,8-11H2,1-2H3",COc1cc(C2c3cc(OC4OC(CO)C(O)C(O)C4O)c(OC)cc3CC(O)(CO)C2CO)ccc1O,C26H34O12,pos_1_1potassium,538.205026528,WDTFNYPORMFVPG,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 122972,5196,-1,,,,0.0,MS1_match,WDTFNYPORMFVPG-UHFFFAOYSA-N,"InChI=1S/C26H34O12/c1-35-17-5-12(3-4-16(17)30)21-14-7-19(37-25-24(33)23(32)22(31)20(10-28)38-25)18(36-2)6-13(14)8-26(34,11-29)15(21)9-27/h3-7,15,20-25,27-34H,8-11H2,1-2H3",COc1cc(C2c3cc(OC4OC(CO)C(O)C(O)C4O)c(OC)cc3CC(O)(CO)C2CO)ccc1O,C26H34O12,pos_1_1potassium,538.205026528,WDTFNYPORMFVPG,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 122973,5196,-1,,,,0.0,MS1_match,LDDSFQCOUIDFIZ-UHFFFAOYSA-N,"InChI=1S/C26H34O12/c1-34-18-8-13(3-5-16(18)29)25-14(9-27)15(11-36-25)21(30)12-4-6-17(19(7-12)35-2)37-26-24(33)23(32)22(31)20(10-28)38-26/h3-8,14-15,20-33H,9-11H2,1-2H3",COc1cc(C2OCC(C(O)c3ccc(OC4OC(CO)C(O)C(O)C4O)c(OC)c3)C2CO)ccc1O,C26H34O12,pos_1_1potassium,538.205026528,LDDSFQCOUIDFIZ,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 122974,5196,-1,,,,0.0,MS1_match,LDDSFQCOUIDFIZ-UHFFFAOYSA-N,"InChI=1S/C26H34O12/c1-34-18-8-13(3-5-16(18)29)25-14(9-27)15(11-36-25)21(30)12-4-6-17(19(7-12)35-2)37-26-24(33)23(32)22(31)20(10-28)38-26/h3-8,14-15,20-33H,9-11H2,1-2H3",COc1cc(C2OCC(C(O)c3ccc(OC4OC(CO)C(O)C(O)C4O)c(OC)c3)C2CO)ccc1O,C26H34O12,pos_1_1potassium,538.205026528,LDDSFQCOUIDFIZ,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 122958,5191,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,YQUVCSBJEUQKSH-UHFFFAOYSA-N,"InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)",O=C(O)c1ccc(O)c(O)c1,C7H6O4,pos_2MH,154.026608672,YQUVCSBJEUQKSH,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Clematis hexapetala,226633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis hexapetala'],8,1,8.5 122899,5186,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.24048446,ISDB,BFSRJRKZZSIEFP-MOHLSBLISA-N,"InChI=1S/C30H46O2/c1-24(2)14-16-29-17-15-28(7)27(6)12-8-20-25(3,4)23(31)10-11-26(20,5)21(27)9-13-30(28,32-19-29)22(29)18-24/h9,13,20-22H,8,10-12,14-19H2,1-7H3/t20-,21-,22-,26+,27-,28+,29-,30-/m1/s1",CC1(C)CC[C@@]23CC[C@@]4(C)[C@]5(C)CC[C@@H]6C(C)(C)C(=O)CC[C@]6(C)[C@H]5C=C[C@@]4(OC2)[C@@H]3C1,C30H46O2,,438.349780712,BFSRJRKZZSIEFP,Terpenoids,Triterpenoids,Oleanane triterpenoids,Viburnum odoratissimum var. awabuki,90825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Adoxaceae'],['Unknown'],['Viburnum'],['Viburnum awabuki'],5,3,7.461937844753265 122897,5185,-1,,,,0.0,MS1_match,JIHQLTXNRUMMRM-IYTWNDGFSA-N,"InChI=1S/C18H32O8/c19-11-13-15(21)16(22)17(23)18(26-13)24-10-6-4-2-1-3-5-7-12-8-9-14(20)25-12/h12-13,15-19,21-23H,1-11H2/t12-,13-,15-,16+,17-,18-/m1/s1",O=C1CC[C@@H](CCCCCCCCO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O1,C18H32O8,pos_1_1proton1ammonium,376.2097179839999,JIHQLTXNRUMMRM,Fatty acids,Fatty esters,Lactones,Salacia chinensis,380833.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Salacia'],['Salacia chinensis'],6,0,6.0 122890,5184,-1,,,,0.0,MS1_match,SXGSYHDLSPXCMU-UHFFFAOYSA-N,"InChI=1S/C26H34O12/c1-34-18-8-14(4-5-16(18)29)24-15(10-27)26(33,12-36-24)9-13-3-6-17(19(7-13)35-2)37-25-23(32)22(31)21(30)20(11-28)38-25/h3-8,15,20-25,27-33H,9-12H2,1-2H3",COc1cc(C2OCC(O)(Cc3ccc(OC4OC(CO)C(O)C(O)C4O)c(OC)c3)C2CO)ccc1O,C26H34O12,pos_1_1proton,538.205026528,SXGSYHDLSPXCMU,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 122891,5184,-1,,,,0.0,MS1_match,SXGSYHDLSPXCMU-UHFFFAOYSA-N,"InChI=1S/C26H34O12/c1-34-18-8-14(4-5-16(18)29)24-15(10-27)26(33,12-36-24)9-13-3-6-17(19(7-13)35-2)37-25-23(32)22(31)21(30)20(11-28)38-25/h3-8,15,20-25,27-33H,9-12H2,1-2H3",COc1cc(C2OCC(O)(Cc3ccc(OC4OC(CO)C(O)C(O)C4O)c(OC)c3)C2CO)ccc1O,C26H34O12,pos_1_1proton,538.205026528,SXGSYHDLSPXCMU,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 122892,5184,-1,,,,0.0,MS1_match,QNDLGCSMZUBKMI-ASTYLPHCSA-N,"InChI=1S/C26H34O12/c1-14(27)32-11-17-12-33-23(36-21(31)10-25(6,7)38-16(3)29)22-18(17)8-19(26(22)13-34-26)35-20(30)9-24(4,5)37-15(2)28/h8,12,19,22-23H,9-11,13H2,1-7H3/t19-,22+,23-,26+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)(C)OC(C)=O)[C@H]2C1=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1,C26H34O12,pos_1_1proton,538.205026528,QNDLGCSMZUBKMI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana pulvinata,7625148.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana pulvinata'],6,0,6.0 122893,5184,-1,,,,0.0,MS1_match,WDTFNYPORMFVPG-UHFFFAOYSA-N,"InChI=1S/C26H34O12/c1-35-17-5-12(3-4-16(17)30)21-14-7-19(37-25-24(33)23(32)22(31)20(10-28)38-25)18(36-2)6-13(14)8-26(34,11-29)15(21)9-27/h3-7,15,20-25,27-34H,8-11H2,1-2H3",COc1cc(C2c3cc(OC4OC(CO)C(O)C(O)C4O)c(OC)cc3CC(O)(CO)C2CO)ccc1O,C26H34O12,pos_1_1proton,538.205026528,WDTFNYPORMFVPG,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 122894,5184,-1,,,,0.0,MS1_match,WDTFNYPORMFVPG-UHFFFAOYSA-N,"InChI=1S/C26H34O12/c1-35-17-5-12(3-4-16(17)30)21-14-7-19(37-25-24(33)23(32)22(31)20(10-28)38-25)18(36-2)6-13(14)8-26(34,11-29)15(21)9-27/h3-7,15,20-25,27-34H,8-11H2,1-2H3",COc1cc(C2c3cc(OC4OC(CO)C(O)C(O)C4O)c(OC)cc3CC(O)(CO)C2CO)ccc1O,C26H34O12,pos_1_1proton,538.205026528,WDTFNYPORMFVPG,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 122895,5184,-1,,,,0.0,MS1_match,LDDSFQCOUIDFIZ-UHFFFAOYSA-N,"InChI=1S/C26H34O12/c1-34-18-8-13(3-5-16(18)29)25-14(9-27)15(11-36-25)21(30)12-4-6-17(19(7-12)35-2)37-26-24(33)23(32)22(31)20(10-28)38-26/h3-8,14-15,20-33H,9-11H2,1-2H3",COc1cc(C2OCC(C(O)c3ccc(OC4OC(CO)C(O)C(O)C4O)c(OC)c3)C2CO)ccc1O,C26H34O12,pos_1_1proton,538.205026528,LDDSFQCOUIDFIZ,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 122896,5184,-1,,,,0.0,MS1_match,LDDSFQCOUIDFIZ-UHFFFAOYSA-N,"InChI=1S/C26H34O12/c1-34-18-8-13(3-5-16(18)29)25-14(9-27)15(11-36-25)21(30)12-4-6-17(19(7-12)35-2)37-26-24(33)23(32)22(31)20(10-28)38-26/h3-8,14-15,20-33H,9-11H2,1-2H3",COc1cc(C2OCC(C(O)c3ccc(OC4OC(CO)C(O)C(O)C4O)c(OC)c3)C2CO)ccc1O,C26H34O12,pos_1_1proton,538.205026528,LDDSFQCOUIDFIZ,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 122882,5183,-1,,,,0.0,MS1_match,DKGYTSKPMLWLEI-FIZOKRMRSA-N,"InChI=1S/C10H14O4/c1-5-2-3-6-7(9(11)12)4-14-10(13)8(5)6/h4-6,8,10,13H,2-3H2,1H3,(H,11,12)/t5-,6+,8+,10+/m0/s1",C[C@H]1CC[C@@H]2C(C(=O)O)=CO[C@@H](O)[C@@H]21,C10H14O4,pos_2MHNH3,198.089208928,DKGYTSKPMLWLEI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 122867,5181,-1,,,,0.0,MS1_match,TYWXNGXVSZRXNA-NVZSGMJQSA-N,"InChI=1S/C11H16O8/c12-3-6-8(14)9(15)10(16)11(19-6)17-4-5-1-2-7(13)18-5/h1-2,5-6,8-12,14-16H,3-4H2/t5-,6+,8+,9-,10+,11+/m0/s1",O=C1C=C[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O1,C11H16O8,pos_1_1potassium,276.084517472,TYWXNGXVSZRXNA,,,,Clematis ligusticifolia,964063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis ligusticifolia'],8,0,8.0 122866,5178,-1,,,,0.0,MS1_match,JUJTUEBXXGRSJB-MTAKFWDWSA-N,"InChI=1S/C17H26O9/c1-3-9-10-4-12(22-2)23-6-8(10)7-24-16(9)26-17-15(21)14(20)13(19)11(5-18)25-17/h3,7,9-21H,1,4-6H2,2H3/t9-,10-,11-,12-,13-,14+,15-,16+,17+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2CO[C@@H](OC)C[C@H]21,C17H26O9,pos_1_1proton1acetonitrile,374.1576824119999,JUJTUEBXXGRSJB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 122803,5175,94,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.77269787,ISDB,ZCCLDKGWJIREQF-PDBXOOCHSA-N,"InChI=1S/C21H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23/h3-4,6-7,9-10,20,22-23H,2,5,8,11-19H2,1H3/b4-3-,7-6-,10-9-",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC(CO)CO,C21H36O4,,352.261359632,ZCCLDKGWJIREQF,Fatty acids,Glycerolipids,Monoacylglycerols,Halimodendron halodendron,761641.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Caraganeae'],['Halimodendron'],['Halimodendron halodendron'],4,1,7.590791463851929 122801,5169,-1,,,,0.0,MS1_match,YXWUKVNWHJHQJJ-MIWXEKCFSA-N,"InChI=1S/C20H30O12/c1-8-13(23)15(25)17(27)19(30-8)29-7-12-14(24)16(26)18(28)20(32-12)31-11-6-9(4-5-21)2-3-10(11)22/h2-3,6,8,12-28H,4-5,7H2,1H3/t8-,12+,13-,14+,15+,16-,17+,18+,19+,20+/m1/s1",C[C@H]1O[C@H](OC[C@@H]2O[C@H](Oc3cc(CCO)ccc3O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O,C20H30O12,pos_1_1proton1ammonium,462.1737264,YXWUKVNWHJHQJJ,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Clematis terniflora var. mandshurica,446556.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis terniflora'],9,0,9.0 122790,5168,-1,,,,0.0,MS1_match,DUBCCGAQYVUYEU-ZUGPOPFOSA-N,"InChI=1S/C21H18O13/c22-7-4-10(25)12-11(5-7)32-17(6-1-2-8(23)9(24)3-6)18(13(12)26)33-21-16(29)14(27)15(28)19(34-21)20(30)31/h1-5,14-16,19,21-25,27-29H,(H,30,31)/t14-,15-,16+,19-,21+/m0/s1",O=C(O)[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C21H18O13,pos_2MNa,478.0747406359998,DUBCCGAQYVUYEU,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Clematis stans,21283.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis stans'],8,0,8.0 122791,5168,-1,,,,0.0,MS1_match,DUBCCGAQYVUYEU-ZUGPOPFOSA-N,"InChI=1S/C21H18O13/c22-7-4-10(25)12-11(5-7)32-17(6-1-2-8(23)9(24)3-6)18(13(12)26)33-21-16(29)14(27)15(28)19(34-21)20(30)31/h1-5,14-16,19,21-25,27-29H,(H,30,31)/t14-,15-,16+,19-,21+/m0/s1",O=C(O)[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C21H18O13,pos_2MNa,478.0747406359998,DUBCCGAQYVUYEU,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Clematis rehderiana,289952.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis rehderiana'],8,0,8.0 122792,5168,-1,,,,0.0,MS1_match,DUBCCGAQYVUYEU-ZUGPOPFOSA-N,"InChI=1S/C21H18O13/c22-7-4-10(25)12-11(5-7)32-17(6-1-2-8(23)9(24)3-6)18(13(12)26)33-21-16(29)14(27)15(28)19(34-21)20(30)31/h1-5,14-16,19,21-25,27-29H,(H,30,31)/t14-,15-,16+,19-,21+/m0/s1",O=C(O)[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C21H18O13,pos_2MNa,478.0747406359998,DUBCCGAQYVUYEU,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Clematis stans,21283.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis stans'],8,0,8.0 122793,5168,-1,,,,0.0,MS1_match,DUBCCGAQYVUYEU-ZUGPOPFOSA-N,"InChI=1S/C21H18O13/c22-7-4-10(25)12-11(5-7)32-17(6-1-2-8(23)9(24)3-6)18(13(12)26)33-21-16(29)14(27)15(28)19(34-21)20(30)31/h1-5,14-16,19,21-25,27-29H,(H,30,31)/t14-,15-,16+,19-,21+/m0/s1",O=C(O)[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C21H18O13,pos_2MNa,478.0747406359998,DUBCCGAQYVUYEU,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Clematis rehderiana,289952.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis rehderiana'],8,0,8.0 122794,5168,-1,,,,0.0,MS1_match,DUBCCGAQYVUYEU-ZUGPOPFOSA-N,"InChI=1S/C21H18O13/c22-7-4-10(25)12-11(5-7)32-17(6-1-2-8(23)9(24)3-6)18(13(12)26)33-21-16(29)14(27)15(28)19(34-21)20(30)31/h1-5,14-16,19,21-25,27-29H,(H,30,31)/t14-,15-,16+,19-,21+/m0/s1",O=C(O)[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C21H18O13,pos_2MNa,478.0747406359998,DUBCCGAQYVUYEU,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Clematis stans,21283.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis stans'],8,0,8.0 122795,5168,-1,,,,0.0,MS1_match,DUBCCGAQYVUYEU-ZUGPOPFOSA-N,"InChI=1S/C21H18O13/c22-7-4-10(25)12-11(5-7)32-17(6-1-2-8(23)9(24)3-6)18(13(12)26)33-21-16(29)14(27)15(28)19(34-21)20(30)31/h1-5,14-16,19,21-25,27-29H,(H,30,31)/t14-,15-,16+,19-,21+/m0/s1",O=C(O)[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C21H18O13,pos_2MNa,478.0747406359998,DUBCCGAQYVUYEU,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Clematis rehderiana,289952.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis rehderiana'],8,0,8.0 122786,5166,-1,,,,0.55825436,ISDB,UPSIQTAGSPSMDI-LMDMKTBVSA-N,"InChI=1S/C24H24O11/c25-12-18-21(31)22(32)23(34-19(29)10-5-14-3-8-16(27)17(28)11-14)24(33-18)35-20(30)9-4-13-1-6-15(26)7-2-13/h1-11,18,21-28,31-32H,12H2/b9-4+,10-5+/t18-,21-,22+,23-,24+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC(=O)/C=C/c1ccc(O)c(O)c1,C24H24O11,,488.131861588,UPSIQTAGSPSMDI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Balanophora japonica,223380.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Santalales'],['Balanophoraceae'],['Unknown'],['Balanophora'],['Balanophora japonica'],4,0,6.233017444610596 122784,5163,-1,,,,0.8148654,ISDB,,,,,,,ZMXMVOMPVVLKBY,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,3.2594616413116455 122774,5162,-1,,,,0.0,MS1_match,ZHFDCOHUCIESBS-UHFFFAOYSA-N,"InChI=1S/C22H28O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h7-8,10,12,17,20-21H,6,9,11H2,1-5H3",CC(=O)OCC1=COC(OC(=O)C=C(C)C)C2C1=CC(OC(=O)CC(C)C)C21CO1,C22H28O8,pos_2_2proton2acetonitrile,420.178417856,ZHFDCOHUCIESBS,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 122775,5162,-1,,,,0.0,MS1_match,ZHFDCOHUCIESBS-KVJIRVJXSA-N,"InChI=1S/C22H28O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h7-8,10,12,17,20-21H,6,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)C=C(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H28O8,pos_2_2proton2acetonitrile,420.1784178559999,ZHFDCOHUCIESBS,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana sorbifolia,445623.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana sorbifolia'],6,0,6.0 122776,5162,-1,,,,0.0,MS1_match,ZHFDCOHUCIESBS-UHFFFAOYSA-N,"InChI=1S/C22H28O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h7-8,10,12,17,20-21H,6,9,11H2,1-5H3",CC(=O)OCC1=COC(OC(=O)C=C(C)C)C2C1=CC(OC(=O)CC(C)C)C21CO1,C22H28O8,pos_2_2proton2acetonitrile,420.178417856,ZHFDCOHUCIESBS,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 122777,5162,-1,,,,0.0,MS1_match,ZHFDCOHUCIESBS-KVJIRVJXSA-N,"InChI=1S/C22H28O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h7-8,10,12,17,20-21H,6,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)C=C(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H28O8,pos_2_2proton2acetonitrile,420.1784178559999,ZHFDCOHUCIESBS,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana sorbifolia,445623.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana sorbifolia'],6,0,6.0 122724,5160,-1,,,,0.83940303,ISDB,XEFNBVWDOQCMSG-GJHFDJSNSA-N,"InChI=1S/C33H40O21/c1-9-19(39)29(53-32-25(45)23(43)20(40)16(7-34)51-32)27(47)31(49-9)48-8-17-21(41)24(44)26(46)33(52-17)54-30-22(42)18-14(38)5-11(35)6-15(18)50-28(30)10-2-3-12(36)13(37)4-10/h2-6,9,16-17,19-21,23-27,29,31-41,43-47H,7-8H2,1H3/t9-,16+,17+,19-,20+,21-,23-,24-,25+,26+,27+,29+,31+,32-,33-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C33H40O21,,772.2062083000001,XEFNBVWDOQCMSG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Camellia sinensis,1058509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Theaceae'],['Unknown'],['Camellia'],['Camellia sinensis'],4,0,7.357612133026123 122688,5157,180,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.3239648,ISDB,,,,,,,KAHFDJBGOVQLRU,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.2958592176437378 122679,5151,-1,,,,0.0,MS1_match,MBNGWHIJMBWFHU-UHFFFAOYSA-N,"InChI=1S/C16H12O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-7,17-19H,1H3",COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1O,C16H12O6,pos_1_1sodium1acetonitrile,300.063388104,MBNGWHIJMBWFHU,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Valeriana rossica,6061718.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana rossica'],6,0,6.0 122680,5151,-1,,,,0.0,MS1_match,MBNGWHIJMBWFHU-UHFFFAOYSA-N,"InChI=1S/C16H12O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-7,17-19H,1H3",COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1O,C16H12O6,pos_1_1sodium1acetonitrile,300.063388104,MBNGWHIJMBWFHU,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Valeriana amurensis,245959.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana amurensis'],6,0,6.0 122681,5151,-1,,,,0.0,MS1_match,MBNGWHIJMBWFHU-UHFFFAOYSA-N,"InChI=1S/C16H12O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-7,17-19H,1H3",COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1O,C16H12O6,pos_1_1sodium1acetonitrile,300.063388104,MBNGWHIJMBWFHU,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Valeriana eriophylla,6061633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana eriophylla'],6,0,6.0 122682,5151,-1,,,,0.0,MS1_match,MBNGWHIJMBWFHU-UHFFFAOYSA-N,"InChI=1S/C16H12O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-7,17-19H,1H3",COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1O,C16H12O6,pos_1_1sodium1acetonitrile,300.063388104,MBNGWHIJMBWFHU,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Valeriana cardamines,6061598.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana cardamines'],6,0,6.0 122683,5151,-1,,,,0.0,MS1_match,MBNGWHIJMBWFHU-UHFFFAOYSA-N,"InChI=1S/C16H12O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-7,17-19H,1H3",COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1O,C16H12O6,pos_1_1sodium1acetonitrile,300.063388104,MBNGWHIJMBWFHU,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Valeriana ficariifolia,5746450.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana ficariifolia'],6,0,6.0 122684,5151,-1,,,,0.0,MS1_match,MBNGWHIJMBWFHU-UHFFFAOYSA-N,"InChI=1S/C16H12O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-7,17-19H,1H3",COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1O,C16H12O6,pos_1_1sodium1acetonitrile,300.063388104,MBNGWHIJMBWFHU,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Valeriana chionophila,6061606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana chionophila'],6,0,6.0 122685,5151,-1,,,,0.0,MS1_match,MBNGWHIJMBWFHU-UHFFFAOYSA-N,"InChI=1S/C16H12O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-7,17-19H,1H3",COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1O,C16H12O6,pos_1_1sodium1acetonitrile,300.063388104,MBNGWHIJMBWFHU,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Valeriana fedtschenkoi,139316.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana longiflora'],6,0,6.0 122686,5151,-1,,,,0.0,MS1_match,MBNGWHIJMBWFHU-UHFFFAOYSA-N,"InChI=1S/C16H12O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-7,17-19H,1H3",COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1O,C16H12O6,pos_1_1sodium1acetonitrile,300.063388104,MBNGWHIJMBWFHU,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Valeriana laxiflora,844983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana laxiflora'],6,0,6.0 122687,5151,-1,,,,0.0,MS1_match,AFSDNFLWKVMVRB-UHFFFAOYSA-N,"InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H",O=c1oc2c(O)c(O)cc3c(=O)oc4c(O)c(O)cc1c4c23,C14H6O8,pos_1_1proton1isopropanol,302.006267152,AFSDNFLWKVMVRB,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 122676,5149,-1,,,,0.0,MS1_match,JMSVCTWVEWCHDZ-UHFFFAOYSA-N,"InChI=1S/C9H10O5/c1-13-6-3-5(9(11)12)4-7(14-2)8(6)10/h3-4,10H,1-2H3,(H,11,12)",COc1cc(C(=O)O)cc(OC)c1O,C9H10O5,pos_1_1proton1methanol,198.05282342,JMSVCTWVEWCHDZ,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Microtropis fokienensis,1015845.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Microtropis'],['Microtropis fokienensis'],6,0,6.0 122677,5149,-1,,,,0.0,MS1_match,PAFLSMZLRSPALU-QMMMGPOBSA-N,"InChI=1S/C9H10O5/c10-6-2-1-5(3-7(6)11)4-8(12)9(13)14/h1-3,8,10-12H,4H2,(H,13,14)/t8-/m0/s1",O=C(O)[C@@H](O)Cc1ccc(O)c(O)c1,C9H10O5,pos_1_1proton1methanol,198.05282342,PAFLSMZLRSPALU,Shikimates and Phenylpropanoids,,,Ranunculus lanuginosus,714306.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus lanuginosus'],6,0,6.0 122632,5147,-1,,,,0.0,MS1_match,RNYZJZKPGHQTJR-UHFFFAOYSA-N,"InChI=1S/C5H4O2/c1-4-2-3-5(6)7-4/h2-3H,1H2",C=C1C=CC(=O)O1,C5H4O2,pos_1_1proton1methanol,96.021129368,RNYZJZKPGHQTJR,Shikimates and Phenylpropanoids,,,Clematis montana,970477.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis montana'],8,0,8.0 122633,5147,-1,,,,0.0,MS1_match,RNYZJZKPGHQTJR-UHFFFAOYSA-N,"InChI=1S/C5H4O2/c1-4-2-3-5(6)7-4/h2-3H,1H2",C=C1C=CC(=O)O1,C5H4O2,pos_1_1proton1methanol,96.021129368,RNYZJZKPGHQTJR,Shikimates and Phenylpropanoids,,,Clematis fawcettii,5737776.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis fawcettii'],8,0,8.0 122634,5147,-1,,,,0.0,MS1_match,RNYZJZKPGHQTJR-UHFFFAOYSA-N,"InChI=1S/C5H4O2/c1-4-2-3-5(6)7-4/h2-3H,1H2",C=C1C=CC(=O)O1,C5H4O2,pos_1_1proton1methanol,96.021129368,RNYZJZKPGHQTJR,Shikimates and Phenylpropanoids,,,Clematis flammula,3945102.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis flammula'],8,0,8.0 122635,5147,-1,,,,0.0,MS1_match,RNYZJZKPGHQTJR-UHFFFAOYSA-N,"InChI=1S/C5H4O2/c1-4-2-3-5(6)7-4/h2-3H,1H2",C=C1C=CC(=O)O1,C5H4O2,pos_1_1proton1methanol,96.021129368,RNYZJZKPGHQTJR,Shikimates and Phenylpropanoids,,,Clematis gentianoides,72780.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis gentianoides'],8,0,8.0 122636,5147,-1,,,,0.0,MS1_match,RNYZJZKPGHQTJR-UHFFFAOYSA-N,"InChI=1S/C5H4O2/c1-4-2-3-5(6)7-4/h2-3H,1H2",C=C1C=CC(=O)O1,C5H4O2,pos_1_1proton1methanol,96.021129368,RNYZJZKPGHQTJR,Shikimates and Phenylpropanoids,,,Clematis glycinoides,842003.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis glycinoides'],8,0,8.0 122637,5147,-1,,,,0.0,MS1_match,RNYZJZKPGHQTJR-UHFFFAOYSA-N,"InChI=1S/C5H4O2/c1-4-2-3-5(6)7-4/h2-3H,1H2",C=C1C=CC(=O)O1,C5H4O2,pos_1_1proton1methanol,96.021129368,RNYZJZKPGHQTJR,Shikimates and Phenylpropanoids,,,Clematis aristata,5737721.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis aristata'],8,0,8.0 122638,5147,-1,,,,0.0,MS1_match,RNYZJZKPGHQTJR-UHFFFAOYSA-N,"InChI=1S/C5H4O2/c1-4-2-3-5(6)7-4/h2-3H,1H2",C=C1C=CC(=O)O1,C5H4O2,pos_1_1proton1methanol,96.021129368,RNYZJZKPGHQTJR,Shikimates and Phenylpropanoids,,,Clematis microphylla,32689.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis microphylla'],8,0,8.0 122639,5147,-1,,,,0.0,MS1_match,RNYZJZKPGHQTJR-UHFFFAOYSA-N,"InChI=1S/C5H4O2/c1-4-2-3-5(6)7-4/h2-3H,1H2",C=C1C=CC(=O)O1,C5H4O2,pos_1_1proton1methanol,96.021129368,RNYZJZKPGHQTJR,Shikimates and Phenylpropanoids,,,Clematis pubescens,446571.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis pubescens'],8,0,8.0 122640,5147,-1,,,,0.0,MS1_match,RNYZJZKPGHQTJR-UHFFFAOYSA-N,"InChI=1S/C5H4O2/c1-4-2-3-5(6)7-4/h2-3H,1H2",C=C1C=CC(=O)O1,C5H4O2,pos_1_1proton1methanol,96.021129368,RNYZJZKPGHQTJR,Shikimates and Phenylpropanoids,,,Clematis vitalba,756499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis vitalba'],8,0,8.0 122641,5147,-1,,,,0.0,MS1_match,RNYZJZKPGHQTJR-UHFFFAOYSA-N,"InChI=1S/C5H4O2/c1-4-2-3-5(6)7-4/h2-3H,1H2",C=C1C=CC(=O)O1,C5H4O2,pos_1_1proton1methanol,96.021129368,RNYZJZKPGHQTJR,Shikimates and Phenylpropanoids,,,Clematis recta,972679.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis recta'],8,0,8.0 122467,5143,122,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Iridoids monoterpenoids,0.6189195,ISDB,YVJONNCAHSDDLZ-WEVVVXLNSA-N,"InChI=1S/C18H19NO4/c1-23-17-8-4-14(12-16(17)21)5-9-18(22)19-11-10-13-2-6-15(20)7-3-13/h2-9,12,20-21H,10-11H2,1H3,(H,19,22)/b9-5+",COc1ccc(/C=C/C(=O)NCCc2ccc(O)cc2)cc1O,C18H19NO4,,313.131408088,YVJONNCAHSDDLZ,Amino acids and Peptides,Phenylpropanoids (C6-C3),Cinnamic acid amides,Lycium chinense,58730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium chinense'],4,2,7.475677967071533 122460,5139,289,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,MWEQHAGXLGTSKL-OPCQMSRDSA-N,"InChI=1S/C23H22O12/c1-9(25)32-22-19(31)17(29)15(8-24)34-23(22)35-21-18(30)16-13(28)6-12(27)7-14(16)33-20(21)10-2-4-11(26)5-3-10/h2-7,15,17,19,22-24,26-29,31H,8H2,1H3/t15-,17-,19+,22-,23+/m1/s1",CC(=O)O[C@H]1[C@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)O[C@H](CO)[C@@H](O)[C@@H]1O,C23H22O12,pos_1_sodium,490.1111261439999,MWEQHAGXLGTSKL,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Staphisagria macrosperma,969162.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Staphisagria'],['Staphisagria macrosperma'],6,3,7.5 122461,5139,289,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,MWEQHAGXLGTSKL-OPCQMSRDSA-N,"InChI=1S/C23H22O12/c1-9(25)32-22-19(31)17(29)15(8-24)34-23(22)35-21-18(30)16-13(28)6-12(27)7-14(16)33-20(21)10-2-4-11(26)5-3-10/h2-7,15,17,19,22-24,26-29,31H,8H2,1H3/t15-,17-,19+,22-,23+/m1/s1",CC(=O)O[C@H]1[C@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)O[C@H](CO)[C@@H](O)[C@@H]1O,C23H22O12,pos_1_sodium,490.1111261439999,MWEQHAGXLGTSKL,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Delphinium staphisagria,969162.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Staphisagria'],['Staphisagria macrosperma'],6,3,7.5 122462,5139,289,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,MWEQHAGXLGTSKL-OPCQMSRDSA-N,"InChI=1S/C23H22O12/c1-9(25)32-22-19(31)17(29)15(8-24)34-23(22)35-21-18(30)16-13(28)6-12(27)7-14(16)33-20(21)10-2-4-11(26)5-3-10/h2-7,15,17,19,22-24,26-29,31H,8H2,1H3/t15-,17-,19+,22-,23+/m1/s1",CC(=O)O[C@H]1[C@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)O[C@H](CO)[C@@H](O)[C@@H]1O,C23H22O12,pos_1_sodium,490.1111261439999,MWEQHAGXLGTSKL,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Staphisagria macrosperma,969162.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Staphisagria'],['Staphisagria macrosperma'],6,3,7.5 122463,5139,289,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,MWEQHAGXLGTSKL-OPCQMSRDSA-N,"InChI=1S/C23H22O12/c1-9(25)32-22-19(31)17(29)15(8-24)34-23(22)35-21-18(30)16-13(28)6-12(27)7-14(16)33-20(21)10-2-4-11(26)5-3-10/h2-7,15,17,19,22-24,26-29,31H,8H2,1H3/t15-,17-,19+,22-,23+/m1/s1",CC(=O)O[C@H]1[C@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)O[C@H](CO)[C@@H](O)[C@@H]1O,C23H22O12,pos_1_sodium,490.1111261439999,MWEQHAGXLGTSKL,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Delphinium staphisagria,969162.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Staphisagria'],['Staphisagria macrosperma'],6,3,7.5 122442,5136,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ACYXDIZTQDLTCB-UVIKLTKHSA-N,"InChI=1S/C20H18O11/c21-12-4-1-10(7-14(12)23)3-6-16(25)31-17(18(26)27)20(30,19(28)29)9-11-2-5-13(22)15(24)8-11/h1-8,17,21-24,30H,9H2,(H,26,27)(H,28,29)/b6-3+/t17-,20-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](C(=O)O)[C@](O)(Cc1ccc(O)c(O)c1)C(=O)O,C20H18O11,pos_1_1proton1acetonitrile,434.0849113959998,ACYXDIZTQDLTCB,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Actaea racemosa,512702.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea racemosa'],6,3,7.5 122443,5136,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ACYXDIZTQDLTCB-UHFFFAOYSA-N,"InChI=1S/C20H18O11/c21-12-4-1-10(7-14(12)23)3-6-16(25)31-17(18(26)27)20(30,19(28)29)9-11-2-5-13(22)15(24)8-11/h1-8,17,21-24,30H,9H2,(H,26,27)(H,28,29)",O=C(C=Cc1ccc(O)c(O)c1)OC(C(=O)O)C(O)(Cc1ccc(O)c(O)c1)C(=O)O,C20H18O11,pos_1_1proton1acetonitrile,434.084911396,ACYXDIZTQDLTCB,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Actaea dahurica,462227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea dahurica'],6,3,7.5 122444,5136,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ACYXDIZTQDLTCB-UVIKLTKHSA-N,"InChI=1S/C20H18O11/c21-12-4-1-10(7-14(12)23)3-6-16(25)31-17(18(26)27)20(30,19(28)29)9-11-2-5-13(22)15(24)8-11/h1-8,17,21-24,30H,9H2,(H,26,27)(H,28,29)/b6-3+/t17-,20-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](C(=O)O)[C@](O)(Cc1ccc(O)c(O)c1)C(=O)O,C20H18O11,pos_1_1proton1acetonitrile,434.0849113959998,ACYXDIZTQDLTCB,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Actaea simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],6,3,7.5 122445,5136,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ACYXDIZTQDLTCB-UVIKLTKHSA-N,"InChI=1S/C20H18O11/c21-12-4-1-10(7-14(12)23)3-6-16(25)31-17(18(26)27)20(30,19(28)29)9-11-2-5-13(22)15(24)8-11/h1-8,17,21-24,30H,9H2,(H,26,27)(H,28,29)/b6-3+/t17-,20-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](C(=O)O)[C@](O)(Cc1ccc(O)c(O)c1)C(=O)O,C20H18O11,pos_1_1proton1acetonitrile,434.0849113959998,ACYXDIZTQDLTCB,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Actaea cimicifuga,988720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea cimicifuga'],6,3,7.5 122446,5136,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ACYXDIZTQDLTCB-UVIKLTKHSA-N,"InChI=1S/C20H18O11/c21-12-4-1-10(7-14(12)23)3-6-16(25)31-17(18(26)27)20(30,19(28)29)9-11-2-5-13(22)15(24)8-11/h1-8,17,21-24,30H,9H2,(H,26,27)(H,28,29)/b6-3+/t17-,20-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](C(=O)O)[C@](O)(Cc1ccc(O)c(O)c1)C(=O)O,C20H18O11,pos_1_1proton1acetonitrile,434.0849113959998,ACYXDIZTQDLTCB,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Actaea elata,988729.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea elata'],6,3,7.5 122447,5136,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ACYXDIZTQDLTCB-UVIKLTKHSA-N,"InChI=1S/C20H18O11/c21-12-4-1-10(7-14(12)23)3-6-16(25)31-17(18(26)27)20(30,19(28)29)9-11-2-5-13(22)15(24)8-11/h1-8,17,21-24,30H,9H2,(H,26,27)(H,28,29)/b6-3+/t17-,20-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](C(=O)O)[C@](O)(Cc1ccc(O)c(O)c1)C(=O)O,C20H18O11,pos_1_1proton1acetonitrile,434.0849113959998,ACYXDIZTQDLTCB,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Actaea japonica,988749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea japonica'],6,3,7.5 122448,5136,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ACYXDIZTQDLTCB-UVIKLTKHSA-N,"InChI=1S/C20H18O11/c21-12-4-1-10(7-14(12)23)3-6-16(25)31-17(18(26)27)20(30,19(28)29)9-11-2-5-13(22)15(24)8-11/h1-8,17,21-24,30H,9H2,(H,26,27)(H,28,29)/b6-3+/t17-,20-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](C(=O)O)[C@](O)(Cc1ccc(O)c(O)c1)C(=O)O,C20H18O11,pos_1_1proton1acetonitrile,434.0849113959998,ACYXDIZTQDLTCB,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Actaea heracleifolia,988745.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea heracleifolia'],6,3,7.5 122449,5136,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ACYXDIZTQDLTCB-UVIKLTKHSA-N,"InChI=1S/C20H18O11/c21-12-4-1-10(7-14(12)23)3-6-16(25)31-17(18(26)27)20(30,19(28)29)9-11-2-5-13(22)15(24)8-11/h1-8,17,21-24,30H,9H2,(H,26,27)(H,28,29)/b6-3+/t17-,20-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](C(=O)O)[C@](O)(Cc1ccc(O)c(O)c1)C(=O)O,C20H18O11,pos_1_1proton1acetonitrile,434.0849113959998,ACYXDIZTQDLTCB,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cimicifuga simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],6,3,7.5 122450,5136,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ACYXDIZTQDLTCB-UVIKLTKHSA-N,"InChI=1S/C20H18O11/c21-12-4-1-10(7-14(12)23)3-6-16(25)31-17(18(26)27)20(30,19(28)29)9-11-2-5-13(22)15(24)8-11/h1-8,17,21-24,30H,9H2,(H,26,27)(H,28,29)/b6-3+/t17-,20-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](C(=O)O)[C@](O)(Cc1ccc(O)c(O)c1)C(=O)O,C20H18O11,pos_1_1proton1acetonitrile,434.0849113959998,ACYXDIZTQDLTCB,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Actaea racemosa,512702.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea racemosa'],6,3,7.5 122451,5136,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ACYXDIZTQDLTCB-UHFFFAOYSA-N,"InChI=1S/C20H18O11/c21-12-4-1-10(7-14(12)23)3-6-16(25)31-17(18(26)27)20(30,19(28)29)9-11-2-5-13(22)15(24)8-11/h1-8,17,21-24,30H,9H2,(H,26,27)(H,28,29)",O=C(C=Cc1ccc(O)c(O)c1)OC(C(=O)O)C(O)(Cc1ccc(O)c(O)c1)C(=O)O,C20H18O11,pos_1_1proton1acetonitrile,434.084911396,ACYXDIZTQDLTCB,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Actaea dahurica,462227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea dahurica'],6,3,7.5 122452,5136,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ACYXDIZTQDLTCB-UVIKLTKHSA-N,"InChI=1S/C20H18O11/c21-12-4-1-10(7-14(12)23)3-6-16(25)31-17(18(26)27)20(30,19(28)29)9-11-2-5-13(22)15(24)8-11/h1-8,17,21-24,30H,9H2,(H,26,27)(H,28,29)/b6-3+/t17-,20-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](C(=O)O)[C@](O)(Cc1ccc(O)c(O)c1)C(=O)O,C20H18O11,pos_1_1proton1acetonitrile,434.0849113959998,ACYXDIZTQDLTCB,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Actaea simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],6,3,7.5 122453,5136,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ACYXDIZTQDLTCB-UVIKLTKHSA-N,"InChI=1S/C20H18O11/c21-12-4-1-10(7-14(12)23)3-6-16(25)31-17(18(26)27)20(30,19(28)29)9-11-2-5-13(22)15(24)8-11/h1-8,17,21-24,30H,9H2,(H,26,27)(H,28,29)/b6-3+/t17-,20-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](C(=O)O)[C@](O)(Cc1ccc(O)c(O)c1)C(=O)O,C20H18O11,pos_1_1proton1acetonitrile,434.0849113959998,ACYXDIZTQDLTCB,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Actaea cimicifuga,988720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea cimicifuga'],6,3,7.5 122454,5136,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ACYXDIZTQDLTCB-UVIKLTKHSA-N,"InChI=1S/C20H18O11/c21-12-4-1-10(7-14(12)23)3-6-16(25)31-17(18(26)27)20(30,19(28)29)9-11-2-5-13(22)15(24)8-11/h1-8,17,21-24,30H,9H2,(H,26,27)(H,28,29)/b6-3+/t17-,20-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](C(=O)O)[C@](O)(Cc1ccc(O)c(O)c1)C(=O)O,C20H18O11,pos_1_1proton1acetonitrile,434.0849113959998,ACYXDIZTQDLTCB,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Actaea elata,988729.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea elata'],6,3,7.5 122455,5136,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ACYXDIZTQDLTCB-UVIKLTKHSA-N,"InChI=1S/C20H18O11/c21-12-4-1-10(7-14(12)23)3-6-16(25)31-17(18(26)27)20(30,19(28)29)9-11-2-5-13(22)15(24)8-11/h1-8,17,21-24,30H,9H2,(H,26,27)(H,28,29)/b6-3+/t17-,20-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](C(=O)O)[C@](O)(Cc1ccc(O)c(O)c1)C(=O)O,C20H18O11,pos_1_1proton1acetonitrile,434.0849113959998,ACYXDIZTQDLTCB,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Actaea japonica,988749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea japonica'],6,3,7.5 122456,5136,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ACYXDIZTQDLTCB-UVIKLTKHSA-N,"InChI=1S/C20H18O11/c21-12-4-1-10(7-14(12)23)3-6-16(25)31-17(18(26)27)20(30,19(28)29)9-11-2-5-13(22)15(24)8-11/h1-8,17,21-24,30H,9H2,(H,26,27)(H,28,29)/b6-3+/t17-,20-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](C(=O)O)[C@](O)(Cc1ccc(O)c(O)c1)C(=O)O,C20H18O11,pos_1_1proton1acetonitrile,434.0849113959998,ACYXDIZTQDLTCB,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Actaea heracleifolia,988745.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea heracleifolia'],6,3,7.5 122457,5136,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ACYXDIZTQDLTCB-UVIKLTKHSA-N,"InChI=1S/C20H18O11/c21-12-4-1-10(7-14(12)23)3-6-16(25)31-17(18(26)27)20(30,19(28)29)9-11-2-5-13(22)15(24)8-11/h1-8,17,21-24,30H,9H2,(H,26,27)(H,28,29)/b6-3+/t17-,20-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](C(=O)O)[C@](O)(Cc1ccc(O)c(O)c1)C(=O)O,C20H18O11,pos_1_1proton1acetonitrile,434.0849113959998,ACYXDIZTQDLTCB,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cimicifuga simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],6,3,7.5 122440,5132,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.7380449,ISDB,KQWJDIAXCWPNIF-LMSPLNQWSA-N,"InChI=1S/C33H38O22/c1-8-17(37)20(40)23(43)32(50-8)54-28-25(45)29(30(47)48)55-31(26(28)46)49-7-15-18(38)21(41)24(44)33(53-15)52-14-6-10(34)5-13-16(14)19(39)22(42)27(51-13)9-2-3-11(35)12(36)4-9/h2-6,8,15,17-18,20-21,23-26,28-29,31-38,40-46H,7H2,1H3,(H,47,48)/t8-,15+,17-,18+,20+,21-,23+,24+,25-,26+,28-,29-,31+,32-,33+/m0/s1",C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OC[C@H]3O[C@@H](Oc4cc(O)cc5oc(-c6ccc(O)c(O)c6)c(O)c(=O)c45)[C@H](O)[C@@H](O)[C@@H]3O)O[C@H](C(=O)O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C33H38O22,,786.185472856,KQWJDIAXCWPNIF,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Pedicularis verticillata,980478.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Orobanchaceae'],['Pedicularideae'],['Pedicularis'],['Pedicularis verticillata'],4,3,8.452179670333862 122439,5131,205,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.20945708,ISDB,,,,,,,ZKJDJIORHUYWFV,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.8378283381462097 122438,5127,180,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.3490072,ISDB,,,,,,,HBLASUZVCZYBQF,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.396028757095337 122437,5126,867,,,,0.2440927,ISDB,,,,,,,XMLQEJGSKUOKGP,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.9763708114624023 122436,5124,118,,,,0.28584996,ISDB,,,,,,,DDGBIAABCSGSND,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.1433998346328735 122434,5123,-1,,,,0.40630248,ISDB,PMIUOPDTARUOHW-USFRMQJTSA-N,"InChI=1S/C23H22O12/c1-31-10-5-3-9(4-6-10)14-8-12(25)15-11(24)7-13(26)19(20(15)33-14)34-23-18(29)16(27)17(28)21(35-23)22(30)32-2/h3-8,16-18,21,23-24,26-29H,1-2H3/t16-,17-,18+,21-,23+/m0/s1",COC(=O)[C@H]1O[C@@H](Oc2c(O)cc(O)c3c(=O)cc(-c4ccc(OC)cc4)oc23)[C@H](O)[C@@H](O)[C@@H]1O,C23H22O12,,490.111126144,PMIUOPDTARUOHW,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Helicteres angustifolia,283046.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Helicteres'],['Helicteres angustifolia'],4,0,5.625209927558899 122393,5122,1257,Fatty acids,Fatty esters,Wax monoesters,0.46825898,ISDB,YSEKNCXYRGKTBJ-UHFFFAOYSA-N,"InChI=1S/C6H10O5/c1-10-5(8)3-4(7)6(9)11-2/h4,7H,3H2,1-2H3",COC(=O)CC(O)C(=O)OC,C6H10O5,,162.05282342,YSEKNCXYRGKTBJ,Fatty acids,Fatty esters,Wax monoesters,Dendrobium officinale,7046610.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Malaxideae'],['Dendrobium'],['Dendrobium officinale'],4,3,7.373035907745361 122394,5122,1257,Fatty acids,Fatty esters,Wax monoesters,0.46825898,ISDB,YSEKNCXYRGKTBJ-UHFFFAOYSA-N,"InChI=1S/C6H10O5/c1-10-5(8)3-4(7)6(9)11-2/h4,7H,3H2,1-2H3",COC(=O)CC(O)C(=O)OC,C6H10O5,,162.05282342,YSEKNCXYRGKTBJ,Fatty acids,Fatty esters,Wax monoesters,Dendrobium catenatum,171958.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Malaxideae'],['Dendrobium'],['Dendrobium catenatum'],4,3,7.373035907745361 122395,5122,1257,Fatty acids,Fatty esters,Wax monoesters,0.46825898,ISDB,YSEKNCXYRGKTBJ-UHFFFAOYSA-N,"InChI=1S/C6H10O5/c1-10-5(8)3-4(7)6(9)11-2/h4,7H,3H2,1-2H3",COC(=O)CC(O)C(=O)OC,C6H10O5,,162.05282342,YSEKNCXYRGKTBJ,Fatty acids,Fatty esters,Wax monoesters,Dendrobium moniliforme,171951.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Malaxideae'],['Dendrobium'],['Dendrobium moniliforme'],4,3,7.373035907745361 122396,5122,1257,Fatty acids,Fatty esters,Wax monoesters,0.46825898,ISDB,YSEKNCXYRGKTBJ-UHFFFAOYSA-N,"InChI=1S/C6H10O5/c1-10-5(8)3-4(7)6(9)11-2/h4,7H,3H2,1-2H3",COC(=O)CC(O)C(=O)OC,C6H10O5,,162.05282342,YSEKNCXYRGKTBJ,Fatty acids,Fatty esters,Wax monoesters,Dendrobium huoshanense,293904.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Malaxideae'],['Dendrobium'],['Dendrobium huoshanense'],4,3,7.373035907745361 122397,5122,1257,Fatty acids,Fatty esters,Wax monoesters,0.46825898,ISDB,YSEKNCXYRGKTBJ-SCSAIBSYSA-N,"InChI=1S/C6H10O5/c1-10-5(8)3-4(7)6(9)11-2/h4,7H,3H2,1-2H3/t4-/m1/s1",COC(=O)C[C@@H](O)C(=O)OC,C6H10O5,,162.05282342,YSEKNCXYRGKTBJ,Fatty acids,Fatty esters,Wax monoesters,Myrciaria dubia,256423.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Myrteae'],['Myrciaria'],['Myrciaria dubia'],4,3,7.373035907745361 122398,5122,1257,Fatty acids,Fatty esters,Wax monoesters,0.46825898,ISDB,YSEKNCXYRGKTBJ-SCSAIBSYSA-N,"InChI=1S/C6H10O5/c1-10-5(8)3-4(7)6(9)11-2/h4,7H,3H2,1-2H3/t4-/m1/s1",COC(=O)C[C@@H](O)C(=O)OC,C6H10O5,,162.05282342,YSEKNCXYRGKTBJ,Fatty acids,Fatty esters,Wax monoesters,Oxalis pes-caprae,334044.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Oxalidales'],['Oxalidaceae'],['Unknown'],['Oxalis'],['Oxalis pes-caprae'],4,3,7.373035907745361 122399,5122,1257,Fatty acids,Fatty esters,Wax monoesters,0.46825898,ISDB,YSEKNCXYRGKTBJ-UHFFFAOYSA-N,"InChI=1S/C6H10O5/c1-10-5(8)3-4(7)6(9)11-2/h4,7H,3H2,1-2H3",COC(=O)CC(O)C(=O)OC,C6H10O5,,162.05282342,YSEKNCXYRGKTBJ,Fatty acids,Fatty esters,Wax monoesters,Tagetes patula,800963.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Tageteae'],['Tagetes'],['Tagetes patula'],4,3,7.373035907745361 122400,5122,1257,Fatty acids,Fatty esters,Wax monoesters,0.46825898,ISDB,YSEKNCXYRGKTBJ-UHFFFAOYSA-N,"InChI=1S/C6H10O5/c1-10-5(8)3-4(7)6(9)11-2/h4,7H,3H2,1-2H3",COC(=O)CC(O)C(=O)OC,C6H10O5,,162.05282342,YSEKNCXYRGKTBJ,Fatty acids,Fatty esters,Wax monoesters,Tagetes erecta,717584.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Tageteae'],['Tagetes'],['Tagetes erecta'],4,3,7.373035907745361 122388,5121,180,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.3359099,ISDB,LAVPYPMOBSOJLD-OPMXSGTGSA-N,"InChI=1S/C22H20O11/c1-9(24)30-20-15(8-23)32-22(18(20)29)33-21-17(28)16-13(27)6-12(26)7-14(16)31-19(21)10-2-4-11(25)5-3-10/h2-7,15,18,20,22-23,25-27,29H,8H2,1H3/t15-,18+,20-,22-/m0/s1",CC(=O)O[C@@H]1[C@@H](O)[C@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)O[C@H]1CO,C22H20O11,,460.10056146,LAVPYPMOBSOJLD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rodgersia podophylla,429366.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Saxifragaceae'],['Unknown'],['Rodgersia'],['Rodgersia podophylla'],4,3,6.843639612197876 122367,5120,-1,,,,0.8534914,ISDB,LLMVHKRJAVIEOD-APRNLGALSA-N,"InChI=1S/C29H32O16/c1-10(30)24-20(36)22(38)29(43-24)44-26-17(9-40-11(2)31)42-28(23(39)21(26)37)45-27-19(35)18-15(34)7-14(33)8-16(18)41-25(27)12-3-5-13(32)6-4-12/h3-8,10,17,20-24,26,28-30,32-34,36-39H,9H2,1-2H3/t10-,17+,20-,21+,22+,23+,24-,26+,28-,29-/m0/s1",CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@@H]([C@H](C)O)[C@@H](O)[C@H]1O,C29H32O16,,636.169034944,LLMVHKRJAVIEOD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rosa multiflora,908464.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa multiflora'],4,0,7.413965702056885 122359,5119,102,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.61093384,ISDB,BNUCXCGZTSEDGK-YTOAEBAASA-N,"InChI=1S/C29H32O15/c1-10-19(33)21(35)23(37)28(39-10)42-15-8-16(32)18-17(9-15)43-26(13-4-6-14(31)7-5-13)27(20(18)34)44-29-24(38)22(36)25(11(2)40-29)41-12(3)30/h4-11,19,21-25,28-29,31-33,35-38H,1-3H3/t10?,11?,19-,21-,22?,23?,24-,25-,28-,29+/m0/s1",CC(=O)O[C@H]1C(C)O[C@H](Oc2c(-c3ccc(O)cc3)oc3cc(O[C@@H]4OC(C)[C@H](O)[C@H](O)C4O)cc(O)c3c2=O)[C@@H](O)C1O,C29H32O15,,620.1741203239999,BNUCXCGZTSEDGK,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Epimedium sutchuenense,709042.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Berberidaceae'],['Unknown'],['Epimedium'],['Epimedium sutchuenense'],4,3,7.943735361099243 122360,5119,102,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.61093384,ISDB,BNUCXCGZTSEDGK-PPGKSNAPSA-N,"InChI=1S/C29H32O15/c1-10-19(33)21(35)23(37)28(39-10)42-15-8-16(32)18-17(9-15)43-26(13-4-6-14(31)7-5-13)27(20(18)34)44-29-24(38)22(36)25(11(2)40-29)41-12(3)30/h4-11,19,21-25,28-29,31-33,35-38H,1-3H3/t10-,11-,19-,21+,22-,23+,24+,25-,28-,29-/m0/s1",CC(=O)O[C@@H]1[C@@H](O)[C@@H](O)[C@H](Oc2c(-c3ccc(O)cc3)oc3cc(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)cc(O)c3c2=O)O[C@H]1C,C29H32O15,,620.1741203239999,BNUCXCGZTSEDGK,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Lotus tenuis,484504.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus tenuis'],4,3,7.943735361099243 122361,5119,102,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.61093384,ISDB,BNUCXCGZTSEDGK-PPGKSNAPSA-N,"InChI=1S/C29H32O15/c1-10-19(33)21(35)23(37)28(39-10)42-15-8-16(32)18-17(9-15)43-26(13-4-6-14(31)7-5-13)27(20(18)34)44-29-24(38)22(36)25(11(2)40-29)41-12(3)30/h4-11,19,21-25,28-29,31-33,35-38H,1-3H3/t10-,11-,19-,21+,22-,23+,24+,25-,28-,29-/m0/s1",CC(=O)O[C@@H]1[C@@H](O)[C@@H](O)[C@H](Oc2c(-c3ccc(O)cc3)oc3cc(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)cc(O)c3c2=O)O[C@H]1C,C29H32O15,,620.1741203239999,BNUCXCGZTSEDGK,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Lotus hirsutus,7055639.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus hirsutus'],4,3,7.943735361099243 122362,5119,102,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.61093384,ISDB,BNUCXCGZTSEDGK-PPGKSNAPSA-N,"InChI=1S/C29H32O15/c1-10-19(33)21(35)23(37)28(39-10)42-15-8-16(32)18-17(9-15)43-26(13-4-6-14(31)7-5-13)27(20(18)34)44-29-24(38)22(36)25(11(2)40-29)41-12(3)30/h4-11,19,21-25,28-29,31-33,35-38H,1-3H3/t10-,11-,19-,21+,22-,23+,24+,25-,28-,29-/m0/s1",CC(=O)O[C@@H]1[C@@H](O)[C@@H](O)[C@H](Oc2c(-c3ccc(O)cc3)oc3cc(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)cc(O)c3c2=O)O[C@H]1C,C29H32O15,,620.1741203239999,BNUCXCGZTSEDGK,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Dorycnium hirsutum,253729.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Dorycnium'],['Dorycnium hirsutum'],4,3,7.943735361099243 122355,5118,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.6397179,ISDB,LSGRYBYDAOHTMR-FTCIMYNOSA-N,"InChI=1S/C33H38O21/c1-9-20(38)22(40)26(44)31(49-9)48-8-18-21(39)24(42)29(54-32-27(45)23(41)25(43)28(53-32)30(46)47)33(52-18)50-11-5-14(36)19-15(37)7-16(51-17(19)6-11)10-2-3-12(34)13(35)4-10/h2-7,9,18,20-29,31-36,38-45H,8H2,1H3,(H,46,47)/t9-,18+,20-,21+,22+,23-,24-,25-,26+,27+,28-,29+,31+,32-,33+/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O)c(O)c5)oc4c3)[C@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C33H38O21,,770.190558236,LSGRYBYDAOHTMR,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Robinia pseudoacacia,928416.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Robinieae'],['Robinia'],['Robinia pseudoacacia'],4,2,7.558871507644653 122190,5116,-1,,,,0.62345636,ISDB,WQGWDDDVZFFDIG-UHFFFAOYSA-N,"InChI=1S/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H",Oc1cccc(O)c1O,C6H6O3,,126.031694052,WQGWDDDVZFFDIG,Shikimates and Phenylpropanoids,,,Nigella glandulifera,5737891.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Nigelleae'],['Nigella'],['Nigella glandulifera'],6,0,8.493825435638428 122191,5116,-1,,,,0.62345636,ISDB,WQGWDDDVZFFDIG-UHFFFAOYSA-N,"InChI=1S/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H",Oc1cccc(O)c1O,C6H6O3,,126.031694052,WQGWDDDVZFFDIG,Shikimates and Phenylpropanoids,,,Nigella sativa,142360.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Nigelleae'],['Nigella'],['Nigella sativa'],6,0,8.493825435638428 122171,5112,180,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IBGBGRVKPALMCQ-UHFFFAOYSA-N,"InChI=1S/C7H6O3/c8-4-5-1-2-6(9)7(10)3-5/h1-4,9-10H",O=Cc1ccc(O)c(O)c1,C7H6O3,pos_1_1proton1methanol,138.031694052,IBGBGRVKPALMCQ,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,Actaea racemosa,512702.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea racemosa'],6,1,6.5 122172,5112,180,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,YGSDEFSMJLZEOE-UHFFFAOYSA-N,"InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)",O=C(O)c1ccccc1O,C7H6O3,pos_1_1proton1methanol,138.031694052,YGSDEFSMJLZEOE,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Nigella sativa,142360.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Nigelleae'],['Nigella'],['Nigella sativa'],6,1,6.5 122173,5112,180,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,YGSDEFSMJLZEOE-UHFFFAOYSA-N,"InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)",O=C(O)c1ccccc1O,C7H6O3,pos_1_1proton1methanol,138.031694052,YGSDEFSMJLZEOE,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Nigella glandulifera,5737891.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Nigelleae'],['Nigella'],['Nigella glandulifera'],6,1,6.5 122174,5112,180,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,FJKROLUGYXJWQN-UHFFFAOYSA-N,"InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)",O=C(O)c1ccc(O)cc1,C7H6O3,pos_1_1proton1methanol,138.031694052,FJKROLUGYXJWQN,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Ranunculus cantoniensis,118756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus cantoniensis'],6,1,6.5 122175,5112,180,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,FJKROLUGYXJWQN-UHFFFAOYSA-N,"InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)",O=C(O)c1ccc(O)cc1,C7H6O3,pos_1_1proton1methanol,138.031694052,FJKROLUGYXJWQN,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Ranunculus chinensis,162150.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus chinensis'],6,1,6.5 122176,5112,180,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,FJKROLUGYXJWQN-UHFFFAOYSA-N,"InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)",O=C(O)c1ccc(O)cc1,C7H6O3,pos_1_1proton1methanol,138.031694052,FJKROLUGYXJWQN,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Aconitum japonicum,5511352.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum japonicum'],6,1,6.5 122177,5112,180,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,FJKROLUGYXJWQN-UHFFFAOYSA-N,"InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)",O=C(O)c1ccc(O)cc1,C7H6O3,pos_1_1proton1methanol,138.031694052,FJKROLUGYXJWQN,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Delphinium elatum,518362.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium elatum'],6,1,6.5 122178,5112,180,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,FJKROLUGYXJWQN-UHFFFAOYSA-N,"InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)",O=C(O)c1ccc(O)cc1,C7H6O3,pos_1_1proton1methanol,138.031694052,FJKROLUGYXJWQN,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Ranunculus ficaria,829312.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ficaria'],['Ficaria verna'],6,1,6.5 122179,5112,180,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,FJKROLUGYXJWQN-UHFFFAOYSA-N,"InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)",O=C(O)c1ccc(O)cc1,C7H6O3,pos_1_1proton1methanol,138.031694052,FJKROLUGYXJWQN,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Nigella sativa,142360.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Nigelleae'],['Nigella'],['Nigella sativa'],6,1,6.5 122180,5112,180,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,FJKROLUGYXJWQN-UHFFFAOYSA-N,"InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)",O=C(O)c1ccc(O)cc1,C7H6O3,pos_1_1proton1methanol,138.031694052,FJKROLUGYXJWQN,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Delphinium venulosum,885408.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium venulosum'],6,1,6.5 122181,5112,180,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,FJKROLUGYXJWQN-UHFFFAOYSA-N,"InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)",O=C(O)c1ccc(O)cc1,C7H6O3,pos_1_1proton1methanol,138.031694052,FJKROLUGYXJWQN,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Delphinium giraldii,6131653.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium giraldii'],6,1,6.5 122182,5112,180,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IBGBGRVKPALMCQ-UHFFFAOYSA-N,"InChI=1S/C7H6O3/c8-4-5-1-2-6(9)7(10)3-5/h1-4,9-10H",O=Cc1ccc(O)c(O)c1,C7H6O3,pos_1_1proton1methanol,138.031694052,IBGBGRVKPALMCQ,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,Ranunculus sceleratus,747491.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus sceleratus'],6,1,6.5 122183,5112,180,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,FJKROLUGYXJWQN-UHFFFAOYSA-N,"InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)",O=C(O)c1ccc(O)cc1,C7H6O3,pos_1_1proton1methanol,138.031694052,FJKROLUGYXJWQN,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Nigella glandulifera,5737891.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Nigelleae'],['Nigella'],['Nigella glandulifera'],6,1,6.5 122167,5111,180,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.20880663,ISDB,DBLLZDYDAFRZEE-SJIRYBADSA-N,"InChI=1S/C8H12O5/c1-4(9)8-6(12-5(2)10)3-7(11)13-8/h4,6,8-9H,3H2,1-2H3/t4-,6+,8-/m0/s1",CC(=O)O[C@@H]1CC(=O)O[C@H]1[C@H](C)O,C8H12O5,,188.068473484,DBLLZDYDAFRZEE,,,,Tapinella atrotomentosa,834577.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Agaricomycetes'],['Boletales'],['Tapinellaceae'],['Unknown'],['Tapinella'],['Tapinella atrotomentosa'],1,0,1.8352265357971191 122146,5109,679,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,0.27969003,ISDB,MQPZZRJJCAGMTC-JSGUEGIKSA-N,"InChI=1S/C25H42O5/c1-8-17(3)22(28)30-20-15-18(4)23(5,13-11-16(2)14-21(26)27)19-10-9-12-24(6,29)25(19,20)7/h8,16,18-20,29H,9-15H2,1-7H3,(H,26,27)/b17-8-/t16-,18+,19+,20-,23-,24+,25-/m0/s1",C/C=C(/C)C(=O)O[C@H]1C[C@@H](C)[C@](C)(CC[C@H](C)CC(=O)O)[C@H]2CCC[C@@](C)(O)[C@]12C,C25H42O5,,422.303224444,MQPZZRJJCAGMTC,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Pteronia paniculata,7599757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Pteronia'],['Pteronia paniculata'],4,2,6.118760108947754 122063,5107,242,Fatty acids,Sesquiterpenoids,Furans,0.0,MS1_match,YVBAUDVGOFCUSG-UHFFFAOYSA-N,"InChI=1S/C9H14O/c1-2-3-4-6-9-7-5-8-10-9/h5,7-8H,2-4,6H2,1H3",CCCCCc1ccco1,C9H14O,pos_2MH,138.104465068,YVBAUDVGOFCUSG,Polyketides,Cyclic polyketides,Furans,Patrinia villosa,971855.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia villosa'],6,3,7.5 122056,5098,-1,,,,0.0,MS1_match,YAVQULWQXQRTKS-QDYGYTTASA-N,"InChI=1S/C26H32O12/c1-34-18-8-13(3-5-16(18)28)7-15-12-36-25(33)26(15,10-14-4-6-17(29)19(9-14)35-2)38-24-23(32)22(31)21(30)20(11-27)37-24/h3-6,8-9,15,20-24,27-32H,7,10-12H2,1-2H3/t15-,20-,21-,22+,23-,24+,26+/m1/s1",COc1cc(C[C@@H]2COC(=O)[C@@]2(Cc2ccc(O)c(OC)c2)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C26H32O12,pos_1_1proton,536.1893764639999,YAVQULWQXQRTKS,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Pulsatilla cernua,542352.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Pulsatilla'],['Pulsatilla cernua'],7,0,7.0 122057,5098,-1,,,,0.0,MS1_match,YAVQULWQXQRTKS-QDYGYTTASA-N,"InChI=1S/C26H32O12/c1-34-18-8-13(3-5-16(18)28)7-15-12-36-25(33)26(15,10-14-4-6-17(29)19(9-14)35-2)38-24-23(32)22(31)21(30)20(11-27)37-24/h3-6,8-9,15,20-24,27-32H,7,10-12H2,1-2H3/t15-,20-,21-,22+,23-,24+,26+/m1/s1",COc1cc(C[C@@H]2COC(=O)[C@@]2(Cc2ccc(O)c(OC)c2)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C26H32O12,pos_1_1proton,536.1893764639999,YAVQULWQXQRTKS,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Pulsatilla cernua,542352.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Pulsatilla'],['Pulsatilla cernua'],7,0,7.0 122051,5097,-1,,,,0.0,MS1_match,NQYKVDKWBKOHRD-UHFFFAOYSA-N,"InChI=1S/C23H34O8/c1-6-14(4)8-20(26)31-22-21-17(9-18(30-15(5)24)23(21)12-29-23)16(11-28-22)10-27-19(25)7-13(2)3/h11,13-14,17-18,21-22H,6-10,12H2,1-5H3",CCC(C)CC(=O)OC1OC=C(COC(=O)CC(C)C)C2CC(OC(C)=O)C3(CO3)C12,C23H34O8,pos_2_2proton2acetonitrile,438.225368048,NQYKVDKWBKOHRD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 122052,5097,-1,,,,0.0,MS1_match,NQYKVDKWBKOHRD-UHFFFAOYSA-N,"InChI=1S/C23H34O8/c1-6-14(4)8-20(26)31-22-21-17(9-18(30-15(5)24)23(21)12-29-23)16(11-28-22)10-27-19(25)7-13(2)3/h11,13-14,17-18,21-22H,6-10,12H2,1-5H3",CCC(C)CC(=O)OC1OC=C(COC(=O)CC(C)C)C2CC(OC(C)=O)C3(CO3)C12,C23H34O8,pos_2_2proton2acetonitrile,438.225368048,NQYKVDKWBKOHRD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana prionophylla,526653.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana prionophylla'],6,0,6.0 122053,5097,-1,,,,0.0,MS1_match,NQYKVDKWBKOHRD-UHFFFAOYSA-N,"InChI=1S/C23H34O8/c1-6-14(4)8-20(26)31-22-21-17(9-18(30-15(5)24)23(21)12-29-23)16(11-28-22)10-27-19(25)7-13(2)3/h11,13-14,17-18,21-22H,6-10,12H2,1-5H3",CCC(C)CC(=O)OC1OC=C(COC(=O)CC(C)C)C2CC(OC(C)=O)C3(CO3)C12,C23H34O8,pos_2_2proton2acetonitrile,438.225368048,NQYKVDKWBKOHRD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana pulchella,5746422.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana pulchella'],6,0,6.0 122054,5097,-1,,,,0.0,MS1_match,NQYKVDKWBKOHRD-UHFFFAOYSA-N,"InChI=1S/C23H34O8/c1-6-14(4)8-20(26)31-22-21-17(9-18(30-15(5)24)23(21)12-29-23)16(11-28-22)10-27-19(25)7-13(2)3/h11,13-14,17-18,21-22H,6-10,12H2,1-5H3",CCC(C)CC(=O)OC1OC=C(COC(=O)CC(C)C)C2CC(OC(C)=O)C3(CO3)C12,C23H34O8,pos_2_2proton2acetonitrile,438.225368048,NQYKVDKWBKOHRD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,0,6.0 122055,5097,-1,,,,0.0,MS1_match,NQYKVDKWBKOHRD-UHFFFAOYSA-N,"InChI=1S/C23H34O8/c1-6-14(4)8-20(26)31-22-21-17(9-18(30-15(5)24)23(21)12-29-23)16(11-28-22)10-27-19(25)7-13(2)3/h11,13-14,17-18,21-22H,6-10,12H2,1-5H3",CCC(C)CC(=O)OC1OC=C(COC(=O)CC(C)C)C2CC(OC(C)=O)C3(CO3)C12,C23H34O8,pos_2_2proton2acetonitrile,438.225368048,NQYKVDKWBKOHRD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana capensis,135852.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana capensis'],6,0,6.0 122002,5096,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,HKQZUYOVMYOFIT-JEJCSOMWSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19-,20+,21+,22-/m1/s1",CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C22H35NO4,pos_1_1proton1methanol,377.2566085999999,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium bicolor,591163.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium bicolor'],6,0,6.0 122003,5096,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,HKQZUYOVMYOFIT-UHFFFAOYSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3",CCN1CC2(C)CCC(O)C34C5CC6C(OC)CC(O)(C(CC23)C14)C5C6O,C22H35NO4,pos_1_1proton1methanol,377.2566086,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum carmichaeli,549536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum carmichaelii'],6,0,6.0 122004,5096,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,HKQZUYOVMYOFIT-JEJCSOMWSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19-,20+,21+,22-/m1/s1",CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C22H35NO4,pos_1_1proton1methanol,377.2566085999999,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum lethale,6131432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum lethale'],6,0,6.0 122005,5096,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,HKQZUYOVMYOFIT-JEJCSOMWSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19-,20+,21+,22-/m1/s1",CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C22H35NO4,pos_1_1proton1methanol,377.2566085999999,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum falconeri,6131385.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum falconeri'],6,0,6.0 122006,5096,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,HKQZUYOVMYOFIT-UHFFFAOYSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3",CCN1CC2(C)CCC(O)C34C5CC6C(OC)CC(O)(C(CC23)C14)C5C6O,C22H35NO4,pos_1_1proton1methanol,377.2566086,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum japonicum,5511352.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum japonicum'],6,0,6.0 122007,5096,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,HKQZUYOVMYOFIT-UHFFFAOYSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3",CCN1CC2(C)CCC(O)C34C5CC6C(OC)CC(O)(C(CC23)C14)C5C6O,C22H35NO4,pos_1_1proton1methanol,377.2566086,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum carmichaelii,549536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum carmichaelii'],6,0,6.0 122008,5096,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,HKQZUYOVMYOFIT-VHNBHZRZSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19?,20+,21+,22-/m1/s1",CCN1C[C@]2(C)CC[C@H](O)[C@]34C1[C@H](C[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C22H35NO4,pos_1_1proton1methanol,377.2566085999999,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium davisii,6131635.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium davisii'],6,0,6.0 122009,5096,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,HKQZUYOVMYOFIT-ZRNHKMHYSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13?,14+,15-,16+,17-,18+,19?,20+,21+,22?/m1/s1",CCN1C[C@]2(C)CC[C@H](O)C34C1C(C[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C22H35NO4,pos_1_1proton1methanol,377.2566086,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium nuttallianum,643524.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium nuttallianum'],6,0,6.0 122010,5096,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,HKQZUYOVMYOFIT-ZRNHKMHYSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13?,14+,15-,16+,17-,18+,19?,20+,21+,22?/m1/s1",CCN1C[C@]2(C)CC[C@H](O)C34C1C(C[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C22H35NO4,pos_1_1proton1methanol,377.2566086,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum vilmorinianum,976183.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum vilmorinianum'],6,0,6.0 122011,5096,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,HKQZUYOVMYOFIT-UHFFFAOYSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3",CCN1CC2(C)CCC(O)C34C5CC6C(OC)CC(O)(C(CC23)C14)C5C6O,C22H35NO4,pos_1_1proton1methanol,377.2566086,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum napellus,586780.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum napellus'],6,0,6.0 122012,5096,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,HKQZUYOVMYOFIT-JEJCSOMWSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19-,20+,21+,22-/m1/s1",CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C22H35NO4,pos_1_1proton1methanol,377.2566085999999,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium crispulum,309502.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium crispulum'],6,0,6.0 122013,5096,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,VCOQRRVEIUTMFC-OVENPUKKSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-11-5-6-17(27-3)22-13(11)8-15(20(22)23)21(25)9-16(26-2)12-7-14(22)18(21)19(12)24/h11-20,24-25H,4-10H2,1-3H3/t11-,12+,13?,14?,15?,16-,17?,18?,19?,20+,21-,22?/m0/s1",CCN1C[C@@H]2CCC(OC)C34C5C[C@H]6C(O)C5[C@](O)(C[C@@H]6OC)C(CC23)[C@@H]14,C22H35NO4,pos_1_1proton1methanol,377.2566086,VCOQRRVEIUTMFC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum napellus,586780.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum napellus'],6,0,6.0 122014,5096,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,VCOQRRVEIUTMFC-OVENPUKKSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-11-5-6-17(27-3)22-13(11)8-15(20(22)23)21(25)9-16(26-2)12-7-14(22)18(21)19(12)24/h11-20,24-25H,4-10H2,1-3H3/t11-,12+,13?,14?,15?,16-,17?,18?,19?,20+,21-,22?/m0/s1",CCN1C[C@@H]2CCC(OC)C34C5C[C@H]6C(O)C5[C@](O)(C[C@@H]6OC)C(CC23)[C@@H]14,C22H35NO4,pos_1_1proton1methanol,377.2566086,VCOQRRVEIUTMFC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum forrestii,556432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum forrestii'],6,0,6.0 122015,5096,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,VCOQRRVEIUTMFC-UHFFFAOYSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-11-5-6-17(27-3)22-13(11)8-15(20(22)23)21(25)9-16(26-2)12-7-14(22)18(21)19(12)24/h11-20,24-25H,4-10H2,1-3H3",CCN1CC2CCC(OC)C34C2CC(C13)C1(O)CC(OC)C2CC4C1C2O,C22H35NO4,pos_1_1proton1methanol,377.2566086,VCOQRRVEIUTMFC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum monticola,625485.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum monticola'],6,0,6.0 122016,5096,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,VCOQRRVEIUTMFC-UHFFFAOYSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-11-5-6-17(27-3)22-13(11)8-15(20(22)23)21(25)9-16(26-2)12-7-14(22)18(21)19(12)24/h11-20,24-25H,4-10H2,1-3H3",CCN1CC2CCC(OC)C34C2CC(C13)C1(O)CC(OC)C2CC4C1C2O,C22H35NO4,pos_1_1proton1methanol,377.2566086,VCOQRRVEIUTMFC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum campylorrhynchum,117075.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum campylorrhynchum'],6,0,6.0 122017,5096,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,VCOQRRVEIUTMFC-UHFFFAOYSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-11-5-6-17(27-3)22-13(11)8-15(20(22)23)21(25)9-16(26-2)12-7-14(22)18(21)19(12)24/h11-20,24-25H,4-10H2,1-3H3",CCN1CC2CCC(OC)C34C2CC(C13)C1(O)CC(OC)C2CC4C1C2O,C22H35NO4,pos_1_1proton1methanol,377.2566086,VCOQRRVEIUTMFC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum pseudostapfianum,1073593.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum tuguancunense'],6,0,6.0 122018,5096,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,VCOQRRVEIUTMFC-UHFFFAOYSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-11-5-6-17(27-3)22-13(11)8-15(20(22)23)21(25)9-16(26-2)12-7-14(22)18(21)19(12)24/h11-20,24-25H,4-10H2,1-3H3",CCN1CC2CCC(OC)C34C2CC(C13)C1(O)CC(OC)C2CC4C1C2O,C22H35NO4,pos_1_1proton1methanol,377.2566086,VCOQRRVEIUTMFC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum piepunense,384357.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum piepunense'],6,0,6.0 122019,5096,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,VCOQRRVEIUTMFC-IZGTZTBCSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-11-5-6-17(27-3)22-13(11)8-15(20(22)23)21(25)9-16(26-2)12-7-14(22)18(21)19(12)24/h11-20,24-25H,4-10H2,1-3H3/t11-,12+,13+,14+,15-,16-,17-,18+,19-,20+,21-,22-/m0/s1",CCN1C[C@@H]2CC[C@H](OC)[C@@]34[C@@H]2C[C@@H]([C@@H]13)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C22H35NO4,pos_1_1proton1methanol,377.2566086,VCOQRRVEIUTMFC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum toxicum,5737811.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum toxicum'],6,0,6.0 122020,5096,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,VCOQRRVEIUTMFC-OVENPUKKSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-11-5-6-17(27-3)22-13(11)8-15(20(22)23)21(25)9-16(26-2)12-7-14(22)18(21)19(12)24/h11-20,24-25H,4-10H2,1-3H3/t11-,12+,13?,14?,15?,16-,17?,18?,19?,20+,21-,22?/m0/s1",CCN1C[C@@H]2CCC(OC)C34C5C[C@H]6C(O)C5[C@](O)(C[C@@H]6OC)C(CC23)[C@@H]14,C22H35NO4,pos_1_1proton1methanol,377.2566086,VCOQRRVEIUTMFC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum contortum,909683.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum contortum'],6,0,6.0 122021,5096,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,UIVVIYORXDFKKO-IGWUHLPXSA-N,"InChI=1S/C22H35NO4/c1-3-23-10-19(2)6-5-16(25)22-14(19)9-13(17(22)23)20-7-4-12(8-15(20)22)21(27,11-24)18(20)26/h12-18,24-27H,3-11H2,1-2H3/t12-,13-,14+,15+,16-,17+,18-,19-,20-,21-,22-/m0/s1",CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@@H]2C[C@@H]([C@@H]13)[C@@]12CC[C@@H](C[C@H]14)[C@@](O)(CO)[C@H]2O,C22H35NO4,pos_1_1proton1methanol,377.2566086,UIVVIYORXDFKKO,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium crispulum,309502.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium crispulum'],6,0,6.0 122022,5096,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,UIVVIYORXDFKKO-IGWUHLPXSA-N,"InChI=1S/C22H35NO4/c1-3-23-10-19(2)6-5-16(25)22-14(19)9-13(17(22)23)20-7-4-12(8-15(20)22)21(27,11-24)18(20)26/h12-18,24-27H,3-11H2,1-2H3/t12-,13-,14+,15+,16-,17+,18-,19-,20-,21-,22-/m0/s1",CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@@H]2C[C@@H]([C@@H]13)[C@@]12CC[C@@H](C[C@H]14)[C@@](O)(CO)[C@H]2O,C22H35NO4,pos_1_1proton1methanol,377.2566086,UIVVIYORXDFKKO,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium linearilobum,7591246.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium linearilobum'],6,0,6.0 122023,5096,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,KEXOMXFRKYKFSR-UNIHHUBBSA-N,"InChI=1S/C22H35NO4/c1-3-23-10-19(2)14-9-13-17(23)21(14,7-5-16(19)25)15-8-12-4-6-20(13,15)18(26)22(12,27)11-24/h12-18,24-27H,3-11H2,1-2H3/t12-,13-,14+,15+,16+,17+,18-,19-,20-,21-,22-/m0/s1",CCN1C[C@]2(C)[C@H](O)CC[C@@]34[C@@H]5C[C@@H]6CC[C@]5([C@H](O)[C@]6(O)CO)[C@@H](C[C@H]23)[C@@H]14,C22H35NO4,pos_1_1proton1methanol,377.2566086,KEXOMXFRKYKFSR,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum cochleare,7591220.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum cochleare'],6,0,6.0 122024,5096,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,HKQZUYOVMYOFIT-UHFFFAOYSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3",CCN1CC2(C)CCC(O)C34C5CC6C(OC)CC(O)(C(CC23)C14)C5C6O,C22H35NO4,pos_1_1proton1methanol,377.2566086,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum kusnezoffii,141633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum kusnezoffii'],6,0,6.0 122025,5096,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,HKGMHDMSESOCGT-YISBXEQFSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(27-3)22-12-7-11-14(24)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13+,14-,15-,16+,17-,18+,19-,20+,21+,22-/m1/s1",CCN1C[C@]2(C)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@H]6O)[C@@H](C[C@H]23)[C@@H]14,C22H35NO4,pos_1_1proton1methanol,377.2566086,HKGMHDMSESOCGT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum geniculatum,97187.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum geniculatum'],6,0,6.0 122026,5096,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,MDCQBGQVDRLEGB-SZDRHTRBSA-N,"InChI=1S/C22H35NO4/c1-4-23-11-19(2)7-6-15(27-3)22-14(19)9-13(18(22)23)20(25)8-5-12-10-21(22,26)17(20)16(12)24/h12-18,24-26H,4-11H2,1-3H3/t12-,13-,14+,15-,16-,17+,18+,19-,20-,21-,22-/m0/s1",CCN1C[C@]2(C)CC[C@H](OC)[C@@]34[C@@H]2C[C@@H]([C@@H]13)[C@@]1(O)CC[C@H]2C[C@]4(O)[C@@H]1[C@H]2O,C22H35NO4,pos_1_1proton1methanol,377.2566086,MDCQBGQVDRLEGB,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum racemulosum,892121.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum racemulosum'],6,0,6.0 122027,5096,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,HKQZUYOVMYOFIT-JEJCSOMWSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19-,20+,21+,22-/m1/s1",CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C22H35NO4,pos_1_1proton1methanol,377.2566085999999,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum variegatum,586783.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum variegatum'],6,0,6.0 122028,5096,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,HKQZUYOVMYOFIT-JEJCSOMWSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19-,20+,21+,22-/m1/s1",CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C22H35NO4,pos_1_1proton1methanol,377.2566085999999,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium pentagynum,782529.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium pentagynum'],6,0,6.0 122029,5096,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,HKQZUYOVMYOFIT-DSGMTPGBSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19-,20-,21+,22-/m1/s1",CCN1C[C@@]2(C)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C22H35NO4,pos_1_1proton1methanol,377.2566086,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum karakolicum,44345.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum karakolicum'],6,0,6.0 122030,5096,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,HKQZUYOVMYOFIT-ZRNHKMHYSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13?,14+,15-,16+,17-,18+,19?,20+,21+,22?/m1/s1",CCN1C[C@]2(C)CC[C@H](O)C34C1C(C[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C22H35NO4,pos_1_1proton1methanol,377.2566086,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium poltaratzkii,6131764.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium poltaratzkii'],6,0,6.0 122031,5096,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,HKQZUYOVMYOFIT-JEJCSOMWSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19-,20+,21+,22-/m1/s1",CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C22H35NO4,pos_1_1proton1methanol,377.2566085999999,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum variegatum,586783.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum variegatum'],6,0,6.0 122032,5096,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,HKQZUYOVMYOFIT-ZRNHKMHYSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13?,14+,15-,16+,17-,18+,19?,20+,21+,22?/m1/s1",CCN1C[C@]2(C)CC[C@H](O)C34C1C(C[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C22H35NO4,pos_1_1proton1methanol,377.2566086,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum soongaricum,5143682.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum soongaricum'],6,0,6.0 122033,5096,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,HKQZUYOVMYOFIT-JEJCSOMWSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19-,20+,21+,22-/m1/s1",CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C22H35NO4,pos_1_1proton1methanol,377.2566085999999,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium bicolor,591163.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium bicolor'],6,0,6.0 122034,5096,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,HKQZUYOVMYOFIT-UHFFFAOYSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3",CCN1CC2(C)CCC(O)C34C5CC6C(OC)CC(O)(C(CC23)C14)C5C6O,C22H35NO4,pos_1_1proton1methanol,377.2566086,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum kusnezoffii,141633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum kusnezoffii'],6,0,6.0 122035,5096,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,HKQZUYOVMYOFIT-UHFFFAOYSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3",CCN1CC2(C)CCC(O)C34C5CC6C(OC)CC(O)(C(CC23)C14)C5C6O,C22H35NO4,pos_1_1proton1methanol,377.2566086,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum carmichaeli,549536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum carmichaelii'],6,0,6.0 122036,5096,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,HKQZUYOVMYOFIT-JEJCSOMWSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19-,20+,21+,22-/m1/s1",CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C22H35NO4,pos_1_1proton1methanol,377.2566085999999,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum lethale,6131432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum lethale'],6,0,6.0 122037,5096,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,HKQZUYOVMYOFIT-ZRNHKMHYSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13?,14+,15-,16+,17-,18+,19?,20+,21+,22?/m1/s1",CCN1C[C@]2(C)CC[C@H](O)C34C1C(C[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C22H35NO4,pos_1_1proton1methanol,377.2566086,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum soongaricum,5143682.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum soongaricum'],6,0,6.0 122038,5096,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,HKQZUYOVMYOFIT-JEJCSOMWSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19-,20+,21+,22-/m1/s1",CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C22H35NO4,pos_1_1proton1methanol,377.2566085999999,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum falconeri,6131385.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum falconeri'],6,0,6.0 122039,5096,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,HKQZUYOVMYOFIT-UHFFFAOYSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3",CCN1CC2(C)CCC(O)C34C5CC6C(OC)CC(O)(C(CC23)C14)C5C6O,C22H35NO4,pos_1_1proton1methanol,377.2566086,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum carmichaelii,549536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum carmichaelii'],6,0,6.0 122040,5096,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,HKQZUYOVMYOFIT-VHNBHZRZSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19?,20+,21+,22-/m1/s1",CCN1C[C@]2(C)CC[C@H](O)[C@]34C1[C@H](C[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C22H35NO4,pos_1_1proton1methanol,377.2566085999999,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium davisii,6131635.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium davisii'],6,0,6.0 122041,5096,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,HKQZUYOVMYOFIT-ZRNHKMHYSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13?,14+,15-,16+,17-,18+,19?,20+,21+,22?/m1/s1",CCN1C[C@]2(C)CC[C@H](O)C34C1C(C[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C22H35NO4,pos_1_1proton1methanol,377.2566086,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium nuttallianum,643524.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium nuttallianum'],6,0,6.0 122042,5096,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,HKQZUYOVMYOFIT-ZRNHKMHYSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13?,14+,15-,16+,17-,18+,19?,20+,21+,22?/m1/s1",CCN1C[C@]2(C)CC[C@H](O)C34C1C(C[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C22H35NO4,pos_1_1proton1methanol,377.2566086,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum vilmorinianum,976183.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum vilmorinianum'],6,0,6.0 122043,5096,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,HKQZUYOVMYOFIT-UHFFFAOYSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3",CCN1CC2(C)CCC(O)C34C5CC6C(OC)CC(O)(C(CC23)C14)C5C6O,C22H35NO4,pos_1_1proton1methanol,377.2566086,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum napellus,586780.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum napellus'],6,0,6.0 122044,5096,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,HKQZUYOVMYOFIT-JEJCSOMWSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19-,20+,21+,22-/m1/s1",CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C22H35NO4,pos_1_1proton1methanol,377.2566085999999,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium crispulum,309502.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium crispulum'],6,0,6.0 122045,5096,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,HKQZUYOVMYOFIT-JEJCSOMWSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19-,20+,21+,22-/m1/s1",CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C22H35NO4,pos_1_1proton1methanol,377.2566085999999,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium pentagynum,782529.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium pentagynum'],6,0,6.0 122046,5096,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,HKQZUYOVMYOFIT-DSGMTPGBSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19-,20-,21+,22-/m1/s1",CCN1C[C@@]2(C)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C22H35NO4,pos_1_1proton1methanol,377.2566086,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum karakolicum,44345.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum karakolicum'],6,0,6.0 122047,5096,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,HKQZUYOVMYOFIT-ZRNHKMHYSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13?,14+,15-,16+,17-,18+,19?,20+,21+,22?/m1/s1",CCN1C[C@]2(C)CC[C@H](O)C34C1C(C[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C22H35NO4,pos_1_1proton1methanol,377.2566086,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium poltaratzkii,6131764.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium poltaratzkii'],6,0,6.0 122048,5096,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,HKQZUYOVMYOFIT-UHFFFAOYSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3",CCN1CC2(C)CCC(O)C34C5CC6C(OC)CC(O)(C(CC23)C14)C5C6O,C22H35NO4,pos_1_1proton1methanol,377.2566086,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum japonicum,5511352.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum japonicum'],6,0,6.0 121959,5090,15,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,0.7803218,ISDB,NJDITOSUCXZLIG-AUWJEWJLSA-N,"InChI=1S/C17H24O3/c1-13(2)5-4-6-14(12-18)7-8-15-11-16(19)9-10-17(15)20-3/h5,7,9-11,18-19H,4,6,8,12H2,1-3H3/b14-7-",COc1ccc(O)cc1C/C=C(\CO)CCC=C(C)C,C17H24O3,,276.172544628,NJDITOSUCXZLIG,Terpenoids,Meroterpenoids,Merosesquiterpenoids,Heliotropium glutinosum,172317.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Heliotropiaceae'],['Unknown'],['Heliotropium'],['Heliotropium glutinosum'],4,1,7.621287107467651 121935,5087,290,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.46207538,ISDB,HXFVBMHVQDXIOG-UHFFFAOYSA-N,"InChI=1S/C36H36O18/c37-13-25-28(43)30(45)32(47)35(53-25)51-23-11-18(39)10-22-19(23)12-24(34(50-22)16-3-5-17(38)6-4-16)52-36-33(48)31(46)29(44)26(54-36)14-49-27(42)8-2-15-1-7-20(40)21(41)9-15/h1-12,25-26,28-33,35-37,39-41,43-48H,13-14H2",O=C1C=CC(=C2Oc3cc(O)cc(OC4OC(CO)C(O)C(O)C4O)c3C=C2OC2OC(COC(=O)C=Cc3ccc(O)c(O)c3)C(O)C(O)C2O)C=C1,C36H36O18,,756.190164312,HXFVBMHVQDXIOG,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Salvia splendens,294217.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia splendens'],4,2,6.848301529884338 121936,5087,290,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.46207538,ISDB,HXFVBMHVQDXIOG-UHFFFAOYSA-N,"InChI=1S/C36H36O18/c37-13-25-28(43)30(45)32(47)35(53-25)51-23-11-18(39)10-22-19(23)12-24(34(50-22)16-3-5-17(38)6-4-16)52-36-33(48)31(46)29(44)26(54-36)14-49-27(42)8-2-15-1-7-20(40)21(41)9-15/h1-12,25-26,28-33,35-37,39-41,43-48H,13-14H2",O=C1C=CC(=C2Oc3cc(O)cc(OC4OC(CO)C(O)C(O)C4O)c3C=C2OC2OC(COC(=O)C=Cc3ccc(O)c(O)c3)C(O)C(O)C2O)C=C1,C36H36O18,,756.190164312,HXFVBMHVQDXIOG,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Hyacinthus orientalis,712150.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Hyacinthaceae'],['Hyacintheae'],['Hyacinthus'],['Hyacinthus orientalis'],4,2,6.848301529884338 121932,5086,-1,,,,0.0,MS1_match,IZQSVPBOUDKVDZ-UHFFFAOYSA-N,"InChI=1S/C16H12O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)ccc1O,C16H12O7,pos_2MH,316.058302724,IZQSVPBOUDKVDZ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Delphinium semibarbatum,224726.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium semibarbatum'],6,0,6.0 121933,5086,-1,,,,0.0,MS1_match,IZQSVPBOUDKVDZ-UHFFFAOYSA-N,"InChI=1S/C16H12O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)ccc1O,C16H12O7,pos_2MH,316.058302724,IZQSVPBOUDKVDZ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Delphinium semibarbartum,3944980.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium semibarbartum'],6,0,6.0 121934,5086,-1,,,,0.0,MS1_match,IZQSVPBOUDKVDZ-UHFFFAOYSA-N,"InChI=1S/C16H12O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)ccc1O,C16H12O7,pos_2MH,316.058302724,IZQSVPBOUDKVDZ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Delphinium zalil,224726.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium semibarbatum'],6,0,6.0 121930,5083,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.39174253,ISDB,UTGHYWBAVNHHJG-DKBPJWHKSA-N,"InChI=1S/C25H40O7S/c1-17-10-11-20-21(9-6-13-24(20,2)3)25(17,4)14-12-18(16-31-33(28,29)30)7-5-8-19-15-22(26)32-23(19)27/h9,15,17-18,20,23,27H,5-8,10-14,16H2,1-4H3,(H,28,29,30)/t17-,18+,20-,23+,25-/m0/s1",C[C@H]1CC[C@H]2C(=CCCC2(C)C)[C@@]1(C)CC[C@@H](CCCC1=CC(=O)O[C@H]1O)COS(=O)(=O)O,C25H40O7S,,484.24947462,UTGHYWBAVNHHJG,Terpenoids,Diterpenoids,Halimane diterpenoids,Fasciospongia,379311.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Dictyoceratida'],['Thorectidae'],['Unknown'],['Fasciospongia'],['Unknown'],1,1,3.066970109939575 121929,5082,-1,,,,0.0,MS1_match,JYDSKJBPKMQERO-JTQLQIEISA-N,"InChI=1S/C13H19N3O2/c14-13(15)3-1-2-10-9-7-12(18)11(17)6-8(9)4-5-16-10/h6-7,10,16-18H,1-5H2,(H3,14,15)/t10-/m0/s1",N=C(N)CCC[C@@H]1NCCc2cc(O)c(O)cc21,C13H19N3O2,pos_1_1proton1isopropanol,249.147726848,JYDSKJBPKMQERO,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Actaea racemosa,512702.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea racemosa'],6,0,6.0 121298,5081,94,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.7695348,ISDB,AHANXAKGNAKFSK-UHFFFAOYSA-N,"InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10H,2,5,8,11-19H2,1H3,(H,21,22)",CCC=CCC=CCC=CCCCCCCCCCC(=O)O,C20H34O2,,306.255880328,AHANXAKGNAKFSK,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],4,3,8.578139305114746 121299,5081,94,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.7695348,ISDB,AHANXAKGNAKFSK-UHFFFAOYSA-N,"InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10H,2,5,8,11-19H2,1H3,(H,21,22)",CCC=CCC=CCC=CCCCCCCCCCC(=O)O,C20H34O2,,306.255880328,AHANXAKGNAKFSK,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Punica granatum,646814.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Lythraceae'],['Unknown'],['Punica'],['Punica granatum'],4,3,8.578139305114746 121300,5081,94,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.7695348,ISDB,AHANXAKGNAKFSK-PDBXOOCHSA-N,"InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10H,2,5,8,11-19H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-",CC/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)O,C20H34O2,,306.255880328,AHANXAKGNAKFSK,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Elaeis guineensis,947656.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Arecales'],['Arecaceae'],['Cocoseae'],['Elaeis'],['Elaeis guineensis'],4,3,8.578139305114746 121293,5079,1250,Terpenoids,Steroids,Ecdysteroids,0.0,MS1_match,APFXLSITBUTSAO-DYGWSSCLSA-N,"InChI=1S/C33H54O12/c1-29(2,41)9-8-24(37)32(5,42)23-7-11-33(43)17-12-19(35)18-13-21(44-28-27(40)26(39)25(38)22(15-34)45-28)20(36)14-30(18,3)16(17)6-10-31(23,33)4/h12,16,18,20-28,34,36-43H,6-11,13-15H2,1-5H3/t16-,18-,20-,21+,22+,23-,24+,25+,26-,27+,28+,30+,31+,32+,33+/m0/s1",CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C,C33H54O12,pos_2_2proton2acetonitrile,642.361527168,APFXLSITBUTSAO,Terpenoids,Steroids,Ecdysteroids,Helleborus multifidus,648056.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Helleboreae'],['Helleborus'],['Helleborus multifidus'],6,3,7.5 121294,5079,1250,Terpenoids,Steroids,Ecdysteroids,0.0,MS1_match,APFXLSITBUTSAO-DYGWSSCLSA-N,"InChI=1S/C33H54O12/c1-29(2,41)9-8-24(37)32(5,42)23-7-11-33(43)17-12-19(35)18-13-21(44-28-27(40)26(39)25(38)22(15-34)45-28)20(36)14-30(18,3)16(17)6-10-31(23,33)4/h12,16,18,20-28,34,36-43H,6-11,13-15H2,1-5H3/t16-,18-,20-,21+,22+,23-,24+,25+,26-,27+,28+,30+,31+,32+,33+/m0/s1",CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C,C33H54O12,pos_2_2proton2acetonitrile,642.361527168,APFXLSITBUTSAO,Terpenoids,Steroids,Ecdysteroids,Helleborus torquatus,948051.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Helleboreae'],['Helleborus'],['Helleborus torquatus'],6,3,7.5 121290,5075,1484,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,0.24748085,ISDB,TXXCMIRGHOXDGD-PZSZWBGDSA-N,"InChI=1S/C17H28O6/c1-10-6-7-11-15(22-11)9-17(21-5)16(19,8-13(10,15)2)14(3,18)12(20-4)23-17/h10-12,18-19H,6-9H2,1-5H3/t10-,11+,12-,13+,14+,15+,16+,17-/m1/s1",CO[C@@H]1O[C@]2(OC)C[C@]34O[C@H]3CC[C@@H](C)[C@]4(C)C[C@]2(O)[C@@]1(C)O,C17H28O6,,328.188588616,TXXCMIRGHOXDGD,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Senecio nemorensis,742737.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio nemorensis'],4,3,6.489923417568207 121278,5073,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.4260991,ISDB,XLKOZYOVXNPWGT-UHFFFAOYSA-N,"InChI=1S/C14H26O3/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14(16)17/h2-12H2,1H3,(H,16,17)",CCCCCCCCCCCC(=O)CC(=O)O,C14H26O3,,242.188194692,XLKOZYOVXNPWGT,Fatty acids,Fatty Acids and Conjugates,Oxo fatty acids,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],4,0,5.704396367073059 121162,5071,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.7384343,ISDB,RVEKLXYYCHAMDF-AOSYACOCSA-N,"InChI=1S/C16H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h4-5,7-8H,2-3,6,9-15H2,1H3,(H,17,18)/b5-4+,8-7+",CCC/C=C/C/C=C/CCCCCCCC(=O)O,C16H28O2,,252.208930136,RVEKLXYYCHAMDF,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Asclepias syriaca,148395.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Asclepiadeae'],['Asclepias'],['Asclepias syriaca'],4,2,7.953737258911133 121055,5070,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.6008169,ISDB,UZYQOQVQVNHEEQ-LEHJWURJSA-N,"InChI=1S/C14H24O2/c1-4-14(3,16)11-9-7-5-6-8-10-13(2)12-15/h4-5,7,10,15-16H,1,6,8-9,11-12H2,2-3H3/b7-5+,13-10+/t14-/m1/s1",C=C[C@@](C)(O)CC/C=C/CC/C=C(\C)CO,C14H24O2,,224.177630008,UZYQOQVQVNHEEQ,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Ursinia alpina,7597283.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Ursinia'],['Ursinia alpina'],4,1,6.9032676219940186 121056,5070,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.6008169,ISDB,UZYQOQVQVNHEEQ-BAUODEKUSA-N,"InChI=1S/C14H24O2/c1-4-14(3,16)11-9-7-5-6-8-10-13(2)12-15/h4-5,7,10,15-16H,1,6,8-9,11-12H2,2-3H3/b7-5+,13-10-/t14-/m1/s1",C=C[C@@](C)(O)CC/C=C/CC/C=C(/C)CO,C14H24O2,,224.177630008,UZYQOQVQVNHEEQ,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Ursinia anethoides,7597284.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Ursinia'],['Ursinia anethoides'],4,1,6.9032676219940186 121053,5066,794,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,0.49874043,ISDB,BEEHSERCPMYOCS-NYJVQORESA-N,"InChI=1S/C29H36O12/c1-13(30)41-27-12-24(2)19(18(32)23(35)38-5)26(27,4)15-6-8-25(3)22(14-7-9-39-11-14)40-16(31)10-28(25,36)29(15,37)21(34)17(27)20(24)33/h7,9,11,15,17-19,21-22,32,34,36-37H,6,8,10,12H2,1-5H3/t15-,17-,18-,19+,21+,22+,24-,25+,26-,27+,28-,29+/m1/s1",COC(=O)[C@H](O)[C@@H]1[C@@]2(C)[C@H]3CC[C@@]4(C)[C@H](c5ccoc5)OC(=O)C[C@]4(O)[C@@]3(O)[C@@H](O)[C@H]3C(=O)[C@]1(C)C[C@]32OC(C)=O,C29H36O12,,576.220676592,BEEHSERCPMYOCS,Terpenoids,Triterpenoids,Limonoids,Khaya senegalensis,923412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Khaya'],['Khaya senegalensis'],4,1,6.494961738586426 121052,5065,386,Terpenoids,Sesquiterpenoids,,0.20989333,ISDB,QBTBRUNHKDMUKA-WYSXDBPOSA-N,"InChI=1S/C23H42O9/c1-13(7-6-9-23(4,5)28)8-10-29-22-20(27)19(26)18(25)17(32-22)12-30-21-15(3)14(2)16(11-24)31-21/h8,14-22,24-28H,6-7,9-12H2,1-5H3/b13-8+/t14-,15-,16+,17-,18-,19+,20-,21-,22-/m1/s1",C/C(=C\CO[C@@H]1O[C@H](CO[C@@H]2O[C@@H](CO)[C@H](C)[C@H]2C)[C@@H](O)[C@H](O)[C@H]1O)CCCC(C)(C)O,C23H42O9,,462.282882924,QBTBRUNHKDMUKA,Terpenoids,Sesquiterpenoids,,Rodgersia sambucifolia,44468.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Saxifragaceae'],['Unknown'],['Rodgersia'],['Rodgersia sambucifolia'],4,2,5.839573323726654 120975,5063,520,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,MLIXRKUBDYCIFK-HQJQHLMTSA-N,"InChI=1S/C11H14O3/c1-7-4-3-5-8-10(13)14-9(12)6-11(7,8)2/h5,7H,3-4,6H2,1-2H3/t7-,11+/m1/s1",C[C@@H]1CCC=C2C(=O)OC(=O)C[C@]21C,C11H14O3,pos_1_1proton1methanol,194.094294308,MLIXRKUBDYCIFK,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Nardostachys jatamansi,24101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Nardostachys'],['Nardostachys jatamansi'],6,1,6.5 120976,5063,520,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,UYGYXBOUYJLANA-CCXSFMJYSA-N,"InChI=1S/C11H14O3/c1-6-4-7(12)5-8-9(13)2-3-10(14)11(6)8/h2-3,5-7,10-12,14H,4H2,1H3/t6-,7-,10-,11+/m1/s1",C[C@@H]1C[C@@H](O)C=C2C(=O)C=C[C@@H](O)[C@H]21,C11H14O3,pos_1_1proton1methanol,194.094294308,UYGYXBOUYJLANA,Terpenoids,,,Nardostachys jatamansi,24101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Nardostachys'],['Nardostachys jatamansi'],6,1,6.5 120974,5062,171,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.20643505,ISDB,,,,,,,AAXHHISTDMILPL,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.8257402181625366 120972,5060,-1,,,,0.0,MS1_match,HJOAQEYWNOPRHE-LCENJUANSA-N,"InChI=1S/C27H34O15/c1-10-4-13(29)18-14(30)5-15-12(25(18)40-10)3-2-11(7-37-15)8-38-26-24(36)22(34)20(32)17(42-26)9-39-27-23(35)21(33)19(31)16(6-28)41-27/h2,4-5,16-17,19-24,26-28,30-36H,3,6-9H2,1H3/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",Cc1cc(=O)c2c(O)cc3c(c2o1)CC=C(CO[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)CO3,C27H34O15,pos_1_1proton1acetonitrile,598.189770388,HJOAQEYWNOPRHE,Polyketides,Chromanes,Chromones,Eranthis hyemalis,756503.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Eranthis'],['Eranthis hyemalis'],6,0,6.0 120973,5060,-1,,,,0.0,MS1_match,HJOAQEYWNOPRHE-LCENJUANSA-N,"InChI=1S/C27H34O15/c1-10-4-13(29)18-14(30)5-15-12(25(18)40-10)3-2-11(7-37-15)8-38-26-24(36)22(34)20(32)17(42-26)9-39-27-23(35)21(33)19(31)16(6-28)41-27/h2,4-5,16-17,19-24,26-28,30-36H,3,6-9H2,1H3/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",Cc1cc(=O)c2c(O)cc3c(c2o1)CC=C(CO[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)CO3,C27H34O15,pos_1_1proton1acetonitrile,598.189770388,HJOAQEYWNOPRHE,Polyketides,Chromanes,Chromones,Eranthis cilicica,5922989.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Eranthis'],['Eranthis cilicica'],6,0,6.0 120968,5051,153,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,PIJWCPNNZULZBH-GRYWMYPUSA-N,"InChI=1S/C18H28O12/c1-7(20)12-8(4-11(21)26-2)9(16(25)27-3)6-28-17(12)30-18-15(24)14(23)13(22)10(5-19)29-18/h6-8,10,12-15,17-20,22-24H,4-5H2,1-3H3/t7-,8+,10+,12+,13+,14-,15+,17-,18-/m0/s1",COC(=O)C[C@@H]1C(C(=O)OC)=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1[C@H](C)O,C18H28O12,pos_2_2proton2acetonitrile,436.158076336,PIJWCPNNZULZBH,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera alpigena,920868.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera alpigena'],7,3,8.5 120959,5049,15,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,0.579689,ISDB,BCIWKKMTBRYQJU-INIZCTEOSA-N,"InChI=1S/C19H30O4/c1-3-4-5-6-7-8-16(20)14-17(21)11-9-15-10-12-18(22)19(13-15)23-2/h10,12-13,16,20,22H,3-9,11,14H2,1-2H3/t16-/m0/s1",CCCCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1,C19H30O4,,322.21440943999994,BCIWKKMTBRYQJU,,,,Zingiber officinale,1063866.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Zingiber'],['Zingiber officinale'],4,0,6.318756103515625 120960,5049,15,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,0.579689,ISDB,BCIWKKMTBRYQJU-UHFFFAOYSA-N,"InChI=1S/C19H30O4/c1-3-4-5-6-7-8-16(20)14-17(21)11-9-15-10-12-18(22)19(13-15)23-2/h10,12-13,16,20,22H,3-9,11,14H2,1-2H3",CCCCCCCC(O)CC(=O)CCc1ccc(O)c(OC)c1,C19H30O4,,322.21440943999994,BCIWKKMTBRYQJU,,,,Zingiber zerumbet,733243.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Zingiber'],['Zingiber zerumbet'],4,0,6.318756103515625 120961,5049,15,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,0.579689,ISDB,BCIWKKMTBRYQJU-UHFFFAOYSA-N,"InChI=1S/C19H30O4/c1-3-4-5-6-7-8-16(20)14-17(21)11-9-15-10-12-18(22)19(13-15)23-2/h10,12-13,16,20,22H,3-9,11,14H2,1-2H3",CCCCCCCC(O)CC(=O)CCc1ccc(O)c(OC)c1,C19H30O4,,322.21440943999994,BCIWKKMTBRYQJU,,,,Zingiber,730913.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Zingiber'],['Unknown'],4,0,6.318756103515625 120952,5047,-1,,,,0.3175374,ISDB,AACOWOOKWQCRBQ-UHFFFAOYSA-N,"InChI=1S/C20H37NO3/c1-16(22)12-10-8-6-4-5-7-9-11-13-19-14-15-20(17(2)21-19)24-18(3)23/h17,19-21H,4-15H2,1-3H3",CC(=O)CCCCCCCCCCC1CCC(OC(C)=O)C(C)N1,C20H37NO3,,339.277344044,AACOWOOKWQCRBQ,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Senna spectabilis,901217.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Senna'],['Senna spectabilis'],4,0,5.2701495885849 120934,5046,11,Alkaloids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,YDYHOAALGZGNKR-IVTISIJFSA-N,"InChI=1S/C28H40O10/c1-8-18(6)11-25(32)37-22-12-21-20(13-34-19(7)29)14-35-27(38-24(31)10-17(4)5)26(21)28(22,33)15-36-23(30)9-16(2)3/h10,12,14,16,18,22,26-27,33H,8-9,11,13,15H2,1-7H3/t18-,22-,26+,27-,28+/m0/s1",CC[C@H](C)CC(=O)O[C@H]1C=C2C(COC(C)=O)=CO[C@@H](OC(=O)C=C(C)C)[C@@H]2[C@@]1(O)COC(=O)CC(C)C,C28H40O10,pos_1_1potassium,536.26214748,YDYHOAALGZGNKR,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana sorbifolia,445623.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana sorbifolia'],6,3,7.5 120919,5043,-1,,,,0.30486515,ISDB,FFYPJOJFUJFYAT-CFURNJPISA-N,"InChI=1S/C24H38O11/c1-11-7-13(25)8-24(3,4)14(11)6-5-12(2)34-23-21(31)19(29)18(28)16(35-23)10-33-22-20(30)17(27)15(26)9-32-22/h5-7,12,14-23,26-31H,8-10H2,1-4H3/b6-5+/t12?,14?,15-,16+,17-,18+,19-,20+,21+,22-,23+/m0/s1",CC1=CC(=O)CC(C)(C)C1/C=C/C(C)O[C@@H]1O[C@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C24H38O11,,502.241412036,FFYPJOJFUJFYAT,Terpenoids,Apocarotenoids,Megastigmanes,Gentiana straminea,615933.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Gentianaceae'],['Gentianeae'],['Gentiana'],['Gentiana straminea'],4,0,5.219460606575012 120920,5043,-1,,,,0.30486515,ISDB,FFYPJOJFUJFYAT-AWZIMYOFSA-N,"InChI=1S/C24H38O11/c1-11-7-13(25)8-24(3,4)14(11)6-5-12(2)34-23-21(31)19(29)18(28)16(35-23)10-33-22-20(30)17(27)15(26)9-32-22/h5-7,12,14-23,26-31H,8-10H2,1-4H3/b6-5+/t12-,14+,15-,16-,17+,18-,19+,20-,21-,22+,23-/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@@H](C)O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C24H38O11,,502.241412036,FFYPJOJFUJFYAT,Terpenoids,Apocarotenoids,Megastigmanes,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],4,0,5.219460606575012 120272,5040,94,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.7541985,ISDB,AHANXAKGNAKFSK-UHFFFAOYSA-N,"InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10H,2,5,8,11-19H2,1H3,(H,21,22)",CCC=CCC=CCC=CCCCCCCCCCC(=O)O,C20H34O2,,306.255880328,AHANXAKGNAKFSK,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],4,3,8.516793966293335 120273,5040,94,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.7541985,ISDB,AHANXAKGNAKFSK-UHFFFAOYSA-N,"InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10H,2,5,8,11-19H2,1H3,(H,21,22)",CCC=CCC=CCC=CCCCCCCCCCC(=O)O,C20H34O2,,306.255880328,AHANXAKGNAKFSK,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Punica granatum,646814.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Lythraceae'],['Unknown'],['Punica'],['Punica granatum'],4,3,8.516793966293335 120274,5040,94,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.7541985,ISDB,AHANXAKGNAKFSK-PDBXOOCHSA-N,"InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10H,2,5,8,11-19H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-",CC/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)O,C20H34O2,,306.255880328,AHANXAKGNAKFSK,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Elaeis guineensis,947656.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Arecales'],['Arecaceae'],['Cocoseae'],['Elaeis'],['Elaeis guineensis'],4,3,8.516793966293335 120167,5039,88,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.32331875,ISDB,BHIIRUKUMCZDIB-UHFFFAOYSA-N,"InChI=1S/C10H12O3/c1-3-4-7-5-8(11)10(12)9(6-7)13-2/h3,5-6,11-12H,1,4H2,2H3",C=CCc1cc(O)c(O)c(OC)c1,C10H12O3,,180.078644244,BHIIRUKUMCZDIB,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Bulbine capitata,3996613.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Asphodelaceae'],['Unknown'],['Bulbine'],['Bulbine capitata'],4,3,6.793274998664856 120159,5038,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.2173858,ISDB,JNFGTEZBSNFLIN-XHOKYKBNSA-N,"InChI=1S/C14H18O/c1-3-4-5-6-7-9-13-10-8-11-14(15)12(13)2/h5-9,11,13H,2-4,10H2,1H3/b6-5+,9-7+/t13-/m1/s1",C=C1C(=O)C=CC[C@H]1/C=C/C=C/CCC,C14H18O,,202.135765196,JNFGTEZBSNFLIN,Polyketides,,,Penicillium,199764.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Penicillium'],['Unknown'],1,0,1.869543194770813 120157,5036,-1,,,,0.0,MS1_match,ZGLXUQQMLLIKAN-SVIJTADQSA-N,"InChI=1S/C22H22O7/c1-24-17-6-12(7-18(25-2)21(17)26-3)19-14-8-16-15(28-10-29-16)5-11(14)4-13-9-27-22(23)20(13)19/h5-8,13,19-20H,4,9-10H2,1-3H3/t13-,19+,20-/m0/s1",COc1cc([C@@H]2c3cc4c(cc3C[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC,C22H22O7,pos_1_1proton1methanol,398.136553044,ZGLXUQQMLLIKAN,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Pulsatilla cernua,542352.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Pulsatilla'],['Pulsatilla cernua'],7,0,7.0 120158,5036,-1,,,,0.0,MS1_match,ZGLXUQQMLLIKAN-SVIJTADQSA-N,"InChI=1S/C22H22O7/c1-24-17-6-12(7-18(25-2)21(17)26-3)19-14-8-16-15(28-10-29-16)5-11(14)4-13-9-27-22(23)20(13)19/h5-8,13,19-20H,4,9-10H2,1-3H3/t13-,19+,20-/m0/s1",COc1cc([C@@H]2c3cc4c(cc3C[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC,C22H22O7,pos_1_1proton1methanol,398.136553044,ZGLXUQQMLLIKAN,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Pulsatilla cernua,542352.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Pulsatilla'],['Pulsatilla cernua'],7,0,7.0 120146,5031,873,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,0.6750192,ISDB,FXVRSKPFWVYCPN-UHFFFAOYSA-N,"InChI=1S/C12H8O6/c13-6-2-1-4-8-5(12(17)18-11(4)6)3-7(14)9(15)10(8)16/h3,14-16H,1-2H2",O=C1CCc2c1oc(=O)c1cc(O)c(O)c(O)c21,C12H8O6,,248.032087976,FXVRSKPFWVYCPN,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Punica granatum,646814.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Lythraceae'],['Unknown'],['Punica'],['Punica granatum'],4,3,8.200076818466187 120147,5031,873,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,0.6750192,ISDB,FXVRSKPFWVYCPN-UHFFFAOYSA-N,"InChI=1S/C12H8O6/c13-6-2-1-4-8-5(12(17)18-11(4)6)3-7(14)9(15)10(8)16/h3,14-16H,1-2H2",O=C1CCc2c1oc(=O)c1cc(O)c(O)c(O)c21,C12H8O6,,248.032087976,FXVRSKPFWVYCPN,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Canarium album,146994.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Burseraceae'],['Unknown'],['Canarium'],['Canarium album'],4,3,8.200076818466187 120148,5031,873,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,0.6750192,ISDB,FXVRSKPFWVYCPN-UHFFFAOYSA-N,"InChI=1S/C12H8O6/c13-6-2-1-4-8-5(12(17)18-11(4)6)3-7(14)9(15)10(8)16/h3,14-16H,1-2H2",O=C1CCc2c1oc(=O)c1cc(O)c(O)c(O)c21,C12H8O6,,248.032087976,FXVRSKPFWVYCPN,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Euphorbia,109494.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Unknown'],4,3,8.200076818466187 120142,5026,-1,,,,0.0,MS1_match,PRCDDNKVZQBPNG-YBWZTWLNSA-N,"InChI=1S/C18H30O3/c1-11-9-14(20-12(2)19)15-17(11,5)10-13-7-8-18(15,6)21-16(13,3)4/h11,13-15H,7-10H2,1-6H3/t11-,13-,14-,15-,17-,18+/m1/s1",CC(=O)O[C@@H]1C[C@@H](C)[C@@]2(C)C[C@H]3CC[C@](C)(OC3(C)C)[C@H]12,C18H30O3,pos_1_1proton1ammonium,294.21949482,PRCDDNKVZQBPNG,Terpenoids,Sesquiterpenoids,,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 120141,5025,-1,,,,0.2793909,ISDB,,,,,,,CHEGICVBARQRSP,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.1175636053085327 120086,5017,94,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.42110467,ISDB,AGHYYIRUYLLBAR-DOTOQJQBSA-N,"InChI=1S/C19H32O4/c1-15(20)9-7-5-3-2-4-6-8-10-17(21)11-16-12-18(22)14-19(23)13-16/h12-15,17,20-23H,2-11H2,1H3/t15-,17+/m0/s1",C[C@H](O)CCCCCCCCC[C@@H](O)Cc1cc(O)cc(O)c1,C19H32O4,,324.230059504,AGHYYIRUYLLBAR,Polyketides,,,Ononis pubescens,323322.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Ononis'],['Ononis pubescens'],4,0,5.684418678283691 120084,5015,340,Fatty acids,Fatty amides,Wax monoesters,0.3779016,ISDB,,,,,,,CQOAKBVRRVHWKV,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.5116064548492432 120079,5013,-1,,,,0.0,MS1_match,YMKQLZWZRFMJBN-UHFFFAOYSA-N,"InChI=1S/C21H26O11/c1-21(2,28)14-4-9-11(31-14)5-12-15(16(9)24)10(23)3-8(30-12)7-29-20-19(27)18(26)17(25)13(6-22)32-20/h3,5,13-14,17-20,22,24-28H,4,6-7H2,1-2H3",CC(C)(O)C1Cc2c(cc3oc(COC4OC(CO)C(O)C(O)C4O)cc(=O)c3c2O)O1,C21H26O11,pos_1_sodium,454.147511652,YMKQLZWZRFMJBN,Polyketides,Chromanes,Chromones,Actaea cimicifuga,988720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea cimicifuga'],6,0,6.0 120080,5013,-1,,,,0.0,MS1_match,YMKQLZWZRFMJBN-UHFFFAOYSA-N,"InChI=1S/C21H26O11/c1-21(2,28)14-4-9-11(31-14)5-12-15(16(9)24)10(23)3-8(30-12)7-29-20-19(27)18(26)17(25)13(6-22)32-20/h3,5,13-14,17-20,22,24-28H,4,6-7H2,1-2H3",CC(C)(O)C1Cc2c(cc3oc(COC4OC(CO)C(O)C(O)C4O)cc(=O)c3c2O)O1,C21H26O11,pos_1_sodium,454.147511652,YMKQLZWZRFMJBN,Polyketides,Chromanes,Chromones,Actaea elata,988729.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea elata'],6,0,6.0 120081,5013,-1,,,,0.0,MS1_match,PBHOYFHVNTVOLB-JEQBVLSKSA-N,"InChI=1S/C21H26O11/c1-9(8-30-21-19(29)18(28)17(27)15(7-23)32-21)2-3-11-12(24)5-14(26)16-13(25)4-10(6-22)31-20(11)16/h2,4-5,15,17-19,21-24,26-29H,3,6-8H2,1H3/b9-2+/t15-,17-,18+,19-,21-/m1/s1",C/C(=C\Cc1c(O)cc(O)c2c(=O)cc(CO)oc12)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C21H26O11,pos_1_sodium,454.147511652,PBHOYFHVNTVOLB,Polyketides,Chromanes,Chromones,Eranthis hyemalis,756503.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Eranthis'],['Eranthis hyemalis'],6,0,6.0 120082,5013,-1,,,,0.0,MS1_match,GWJOORMJFDUWLC-JEQBVLSKSA-N,"InChI=1S/C21H26O11/c1-9(6-22)2-3-11-14(31-21-19(29)18(28)17(27)15(8-24)32-21)5-13(26)16-12(25)4-10(7-23)30-20(11)16/h2,4-5,15,17-19,21-24,26-29H,3,6-8H2,1H3/b9-2+/t15-,17-,18+,19-,21-/m1/s1",C/C(=C\Cc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c2c(=O)cc(CO)oc12)CO,C21H26O11,pos_1_sodium,454.147511652,GWJOORMJFDUWLC,Polyketides,Chromanes,Chromones,Eranthis cilicica,5922989.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Eranthis'],['Eranthis cilicica'],6,0,6.0 120083,5013,-1,,,,0.0,MS1_match,GWJOORMJFDUWLC-JEQBVLSKSA-N,"InChI=1S/C21H26O11/c1-9(6-22)2-3-11-14(31-21-19(29)18(28)17(27)15(8-24)32-21)5-13(26)16-12(25)4-10(7-23)30-20(11)16/h2,4-5,15,17-19,21-24,26-29H,3,6-8H2,1H3/b9-2+/t15-,17-,18+,19-,21-/m1/s1",C/C(=C\Cc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c2c(=O)cc(CO)oc12)CO,C21H26O11,pos_1_sodium,454.147511652,GWJOORMJFDUWLC,Polyketides,Chromanes,Chromones,Eranthis hyemalis,756503.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Eranthis'],['Eranthis hyemalis'],6,0,6.0 120077,5012,641,Alkaloids,Tryptophan alkaloids,3-Spirotetramic acids,0.23824424,ISDB,UWQKMPYEPLVKBC-UHFFFAOYSA-N,"InChI=1S/C16H23NO6/c1-10(22-4)16(21,15(2,3)20)14(19)23-9-11-5-7-17-8-6-12(18)13(11)17/h5,7,10,20-21H,6,8-9H2,1-4H3",COC(C)C(O)(C(=O)OCc1ccn2c1C(=O)CC2)C(C)(C)O,C16H23NO6,,325.152537456,UWQKMPYEPLVKBC,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Heliotropium bovei,6063691.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Heliotropiaceae'],['Unknown'],['Heliotropium'],['Heliotropium bovei'],4,1,5.452976942062378 120075,5011,104,Amino acids and Peptides,Small peptides,Dipeptides,0.86514235,ISDB,NFDYGNFETJVMSE-BQBZGAKWSA-N,"InChI=1S/C9H18N2O4/c1-5(2)3-7(9(14)15)11-8(13)6(10)4-12/h5-7,12H,3-4,10H2,1-2H3,(H,11,13)(H,14,15)/t6-,7-/m0/s1",CC(C)C[C@H](NC(=O)[C@@H](N)CO)C(=O)O,C9H18N2O4,,218.126657056,NFDYGNFETJVMSE,Amino acids and Peptides,Small peptides,Dipeptides,Aeromonas veronii,704628.0,['Bacteria'],['Unknown'],['Proteobacteria'],['Gammaproteobacteria'],['Aeromonadales'],['Aeromonadaceae'],['Unknown'],['Aeromonas'],['Aeromonas veronii'],0,3,4.960569381713867 120074,5010,-1,,,,0.0,MS1_match,UNQFHHAPQIDJED-NXNVCVFFSA-N,"InChI=1S/C18H30N2O3/c1-4-5-6-8-13(2)11-14-12-23-17(15-9-7-10-19-15)20-16(14)18(21)22-3/h7,9-10,13-14,16-17,19-20H,4-6,8,11-12H2,1-3H3/t13-,14-,16-,17+/m0/s1",CCCCC[C@H](C)C[C@H]1CO[C@H](c2ccc[nH]2)N[C@@H]1C(=O)OC,C18H30N2O3,pos_2MNa,322.22564282,UNQFHHAPQIDJED,Alkaloids,,,Celastrus angulatus,709269.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Celastrus'],['Celastrus angulatus'],6,0,6.0 120068,5007,1244,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,XNBHVNRFMHXLMZ-ODLFONTESA-N,"InChI=1S/C20H32O6/c1-11(2)6-17(22)24-9-14-10-25-20(26-18(23)7-12(3)4)19-13(5)16(21)8-15(14)19/h10-13,15-16,19-21H,6-9H2,1-5H3/t13-,15+,16-,19+,20-/m0/s1",CC(C)CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@H](C)[C@@H](O)C[C@H]12,C20H32O6,pos_1_1proton,368.219888744,XNBHVNRFMHXLMZ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana microphylla,21453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana microphylla'],6,3,7.5 120069,5007,1244,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,XNBHVNRFMHXLMZ-ODLFONTESA-N,"InChI=1S/C20H32O6/c1-11(2)6-17(22)24-9-14-10-25-20(26-18(23)7-12(3)4)19-13(5)16(21)8-15(14)19/h10-13,15-16,19-21H,6-9H2,1-5H3/t13-,15+,16-,19+,20-/m0/s1",CC(C)CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@H](C)[C@@H](O)C[C@H]12,C20H32O6,pos_1_1proton,368.219888744,XNBHVNRFMHXLMZ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia saniculifolia,139326.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia saniculifolia'],6,3,7.5 120070,5007,1244,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,XNBHVNRFMHXLMZ-FJSYSMJUSA-N,"InChI=1S/C20H32O6/c1-11(2)6-17(22)24-9-14-10-25-20(26-18(23)7-12(3)4)19-13(5)16(21)8-15(14)19/h10-13,15-16,19-21H,6-9H2,1-5H3/t13-,15+,16-,19-,20-/m0/s1",CC(C)CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2[C@@H](C)[C@@H](O)C[C@H]12,C20H32O6,pos_1_1proton,368.219888744,XNBHVNRFMHXLMZ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Nardostachys jatamansi,24101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Nardostachys'],['Nardostachys jatamansi'],6,3,7.5 120071,5007,1244,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BYWPUNIXQZJWRS-UHFFFAOYSA-N,"InChI=1S/C10H16O3/c1-5-6-3-8(11)10(2)7(6)4-12-9(5)13-10/h5-9,11H,3-4H2,1-2H3",CC1C2OCC3C1CC(O)C3(C)O2,C10H16O3,pos_2MH,184.109944372,BYWPUNIXQZJWRS,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,3,7.5 120072,5007,1244,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BYWPUNIXQZJWRS-RSMBCMNPSA-N,"InChI=1S/C10H16O3/c1-5-6-3-8(11)10(2)7(6)4-12-9(5)13-10/h5-9,11H,3-4H2,1-2H3/t5-,6+,7+,8-,9-,10-/m0/s1",C[C@@H]1[C@H]2OC[C@@H]3[C@@H]1C[C@H](O)[C@@]3(C)O2,C10H16O3,pos_2MH,184.109944372,BYWPUNIXQZJWRS,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia scabra,68239.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia scabra'],6,3,7.5 120073,5007,1244,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,KCIYXMDQXNFJBA-BDNRQGISSA-N,"InChI=1S/C10H16O3/c1-6-7-3-4-10(2,12)8(7)5-13-9(6)11/h6-8,12H,3-5H2,1-2H3/t6-,7-,8+,10-/m1/s1",C[C@H]1C(=O)OC[C@H]2[C@@H]1CC[C@@]2(C)O,C10H16O3,pos_2MH,184.109944372,KCIYXMDQXNFJBA,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia scabra,68239.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia scabra'],6,3,7.5 119940,5006,242,Fatty acids,Sesquiterpenoids,Furans,0.57329744,ISDB,OUWXZGMEFZQYEK-WQLSENKSSA-N,"InChI=1S/C16H24O2/c1-9-5-6-13(8-12(4)16(17)18)15-11(3)7-10(2)14(9)15/h8-10,13-14H,5-7H2,1-4H3,(H,17,18)/b12-8-",CC1=C2C(/C=C(/C)C(=O)O)CCC(C)C2C(C)C1,C16H24O2,,248.177630008,OUWXZGMEFZQYEK,Terpenoids,Sesquiterpenoids,Valerenane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,2,9.293189764022827 119937,5004,-1,,,,0.233989,ISDB,,,,,,,IUGTZYDAVILZIT,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.9359560012817383 118436,4998,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.48596507,ISDB,OFAYIAUICPXDBC-QPSCCSFWSA-N,"InChI=1S/C15H24O/c1-10(2)12-5-6-15(4)9-13(16)7-11(3)14(15)8-12/h12-14,16H,1,3,5-9H2,2,4H3/t12-,13+,14+,15+/m1/s1",C=C(C)[C@@H]1CC[C@@]2(C)C[C@@H](O)CC(=C)[C@@H]2C1,C15H24O,,220.182715388,OFAYIAUICPXDBC,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Nardostachys jatamansi,24101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Nardostachys'],['Nardostachys jatamansi'],6,2,8.943860292434692 118393,4997,-1,,,,0.0,MS1_match,UEHILKCNLIKLEV-LXABABOZSA-N,"InChI=1S/C53H86O22/c1-23-32(57)35(60)39(64)45(70-23)74-42-27(19-54)71-43(41(66)37(42)62)69-21-28-34(59)36(61)40(65)46(72-28)75-47(67)53-16-14-48(2,3)18-25(53)24-8-9-30-49(4)12-11-31(73-44-38(63)33(58)26(56)20-68-44)50(5,22-55)29(49)10-13-52(30,7)51(24,6)15-17-53/h8,23,25-46,54-66H,9-22H2,1-7H3/t23-,25-,26-,27+,28+,29+,30+,31-,32-,33-,34+,35+,36-,37+,38+,39+,40+,41+,42+,43+,44-,45-,46-,49-,50-,51+,52+,53-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C4=CC[C@@H]6[C@@]7(C)CC[C@H](O[C@@H]8OC[C@H](O)[C@H](O)[C@H]8O)[C@@](C)(CO)[C@@H]7CC[C@@]6(C)[C@]4(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O,C53H86O22,pos_2_2proton,1074.561074392,UEHILKCNLIKLEV,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis chinensis,841986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis chinensis'],9,0,9.0 118378,4996,145,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,QPJVMBTYPHYUOC-UHFFFAOYSA-N,"InChI=1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3",COC(=O)c1ccccc1,C8H8O2,pos_2MHNH3,136.052429496,QPJVMBTYPHYUOC,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 118374,4995,344,Fatty acids,Fatty esters,Wax monoesters,0.36566216,ISDB,MRETWXDTCCOEHE-FCZMTWNNSA-N,"InChI=1S/C27H39NO4/c1-6-17(2)14-19(4)16-20(5)15-18(3)12-13-22(29)23-26(31)24(28-27(23)32)25(30)21-10-8-7-9-11-21/h7-11,16-19,24-25,30-31H,6,12-15H2,1-5H3,(H,28,32)/b20-16+/t17?,18?,19?,24-,25-/m0/s1",CCC(C)CC(C)/C=C(\C)CC(C)CCC(=O)C1=C(O)[C@H]([C@@H](O)c2ccccc2)NC1=O,C27H39NO4,,441.287908728,MRETWXDTCCOEHE,Amino acids and Peptides,Linear polyketides,3-acyl tetramic acids,Fusarium,655794.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Hypocreales'],['Nectriaceae'],['Unknown'],['Fusarium'],['Unknown'],1,0,2.462648630142212 118373,4994,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.20776014,ISDB,,,,,,,KJXUUBWLHCNIND,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.8310405611991882 118343,4991,-1,,,,0.6421519,ISDB,YRLBRLSLZIRTGX-MLQUENCRSA-N,"InChI=1S/C27H43NO2/c1-16-4-9-25-27(3,30)23-8-7-19-20-6-5-17-12-18(29)10-11-26(17,2)24(20)13-21(19)22(23)15-28(25)14-16/h5,16,18-25,29-30H,4,6-15H2,1-3H3/t16-,18+,19-,20-,21+,22-,23-,24-,25-,26-,27-/m0/s1",C[C@H]1CC[C@@H]2N(C1)C[C@H]1[C@@H]3C[C@H]4[C@@H](CC=C5C[C@H](O)CC[C@@]54C)[C@@H]3CC[C@@H]1[C@]2(C)O,C27H43NO2,,413.329379616,YRLBRLSLZIRTGX,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Fritillaria verticillata,3966611.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Liliales'],['Liliaceae'],['Unknown'],['Fritillaria'],['Fritillaria verticillata'],4,0,6.568607568740845 118338,4988,-1,,,,0.4265367,ISDB,ARLNCELWGQDJPO-QDTXCPDVSA-N,"InChI=1S/C19H33NO/c1-2-3-4-5-6-7-8-9-10-11-13-16-19(21)20-17-14-12-15-18-20/h10-11,13,16H,2-9,12,14-15,17-18H2,1H3/b11-10+,16-13+",CCCCCCCCC/C=C/C=C/C(=O)N1CCCCC1,C19H33NO,,291.256214676,ARLNCELWGQDJPO,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Otanthus maritimus,195139.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Otanthus'],['Otanthus maritimus'],4,0,5.706146836280823 118330,4987,-1,,,,0.4873019,ISDB,BBAXNNBTFRECAH-HNEHENEDSA-N,"InChI=1S/C27H45NO4/c1-15-4-7-25-27(3,31)21-6-5-17-18(20(21)14-28(25,32)13-15)11-22-19(17)12-24(30)23-10-16(29)8-9-26(22,23)2/h15-25,29-31H,4-14H2,1-3H3/t15-,16-,17-,18+,19-,20-,21-,22-,23+,24-,25-,26+,27-,28-/m0/s1",C[C@H]1CC[C@H]2[C@@](C)(O)[C@H]3CC[C@H]4[C@@H](C[C@H]5[C@H]4C[C@H](O)[C@H]4C[C@@H](O)CC[C@@]45C)[C@@H]3C[N@@+]2([O-])C1,C27H45NO4,,447.33485892,BBAXNNBTFRECAH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Fritillaria thunbergii,935709.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Liliales'],['Liliaceae'],['Unknown'],['Fritillaria'],['Fritillaria thunbergii'],4,0,5.949207544326782 118323,4978,147,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,SFLMUHDGSQZDOW-FAOXUISGSA-N,"InChI=1S/C16H22O8/c1-22-11-7-9(3-2-6-17)4-5-10(11)23-16-15(21)14(20)13(19)12(8-18)24-16/h2-5,7,12-21H,6,8H2,1H3/b3-2+/t12-,13-,14+,15-,16-/m1/s1",COc1cc(/C=C/CO)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H22O8,pos_1_1proton1acetonitrile,342.131467664,SFLMUHDGSQZDOW,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,3,7.5 118324,4978,147,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,SFLMUHDGSQZDOW-FAOXUISGSA-N,"InChI=1S/C16H22O8/c1-22-11-7-9(3-2-6-17)4-5-10(11)23-16-15(21)14(20)13(19)12(8-18)24-16/h2-5,7,12-21H,6,8H2,1H3/b3-2+/t12-,13-,14+,15-,16-/m1/s1",COc1cc(/C=C/CO)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H22O8,pos_1_1proton1acetonitrile,342.131467664,SFLMUHDGSQZDOW,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Nardostachys jatamansi,24101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Nardostachys'],['Nardostachys jatamansi'],6,3,7.5 118325,4978,147,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,SFLMUHDGSQZDOW-FAOXUISGSA-N,"InChI=1S/C16H22O8/c1-22-11-7-9(3-2-6-17)4-5-10(11)23-16-15(21)14(20)13(19)12(8-18)24-16/h2-5,7,12-21H,6,8H2,1H3/b3-2+/t12-,13-,14+,15-,16-/m1/s1",COc1cc(/C=C/CO)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H22O8,pos_1_1proton1acetonitrile,342.131467664,SFLMUHDGSQZDOW,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,3,7.5 118326,4978,147,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,SFLMUHDGSQZDOW-FAOXUISGSA-N,"InChI=1S/C16H22O8/c1-22-11-7-9(3-2-6-17)4-5-10(11)23-16-15(21)14(20)13(19)12(8-18)24-16/h2-5,7,12-21H,6,8H2,1H3/b3-2+/t12-,13-,14+,15-,16-/m1/s1",COc1cc(/C=C/CO)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H22O8,pos_1_1proton1acetonitrile,342.131467664,SFLMUHDGSQZDOW,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,3,7.5 118327,4978,147,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,SFLMUHDGSQZDOW-FAOXUISGSA-N,"InChI=1S/C16H22O8/c1-22-11-7-9(3-2-6-17)4-5-10(11)23-16-15(21)14(20)13(19)12(8-18)24-16/h2-5,7,12-21H,6,8H2,1H3/b3-2+/t12-,13-,14+,15-,16-/m1/s1",COc1cc(/C=C/CO)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H22O8,pos_1_1proton1acetonitrile,342.131467664,SFLMUHDGSQZDOW,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Nardostachys jatamansi,24101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Nardostachys'],['Nardostachys jatamansi'],6,3,7.5 118328,4978,147,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,SFLMUHDGSQZDOW-FAOXUISGSA-N,"InChI=1S/C16H22O8/c1-22-11-7-9(3-2-6-17)4-5-10(11)23-16-15(21)14(20)13(19)12(8-18)24-16/h2-5,7,12-21H,6,8H2,1H3/b3-2+/t12-,13-,14+,15-,16-/m1/s1",COc1cc(/C=C/CO)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H22O8,pos_1_1proton1acetonitrile,342.131467664,SFLMUHDGSQZDOW,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,3,7.5 118322,4977,503,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,ATFJUGCMEQBNLH-UHFFFAOYSA-N,"InChI=1S/C10H14O5/c1-10-6(12)2-4-5(3-11)9(15-10)14-8(13)7(4)10/h4-7,9,11-12H,2-3H2,1H3",CC12OC3OC(=O)C1C(CC2O)C3CO,C10H14O5,pos_2MHNH3,214.084123548,ATFJUGCMEQBNLH,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,3,7.5 118231,4975,-1,,,,0.6044472,ISDB,PRNJXUQTUSFYLV-UHFFFAOYSA-N,"InChI=1S/C17H28O2/c1-7-17(6,19-16(5)18)13-9-12-15(4)11-8-10-14(2)3/h7,10,12H,1,8-9,11,13H2,2-6H3",C=CC(C)(CCC=C(C)CCC=C(C)C)OC(C)=O,C17H28O2,,264.208930136,PRNJXUQTUSFYLV,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,9.417788743972778 118218,4972,-1,,,,0.66445476,ISDB,AKCAVBOVRWGORC-WOJBJXKFSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-11-6-15-16(25-9-24-15)7-13(11)20(21)8-12-2-3-14-18(26-10-23-14)17(12)19(20)22/h2-3,6-7,19,22H,4-5,8-10H2,1H3/t19-,20-/m1/s1",CN1CCc2cc3c(cc2[C@@]12Cc1ccc4c(c1[C@H]2O)OCO4)OCO3,C20H19NO5,,353.126322708,AKCAVBOVRWGORC,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria officinalis,76888.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria officinalis'],4,0,6.657819032669067 118214,4964,-1,,,,0.0,MS1_match,BSOLHSZWRMTETL-ZHXJFFNMSA-N,"InChI=1S/C23H27NO11/c1-2-13-14(6-5-12-4-3-7-24(8-12)9-17(26)27)15(21(31)32)11-33-22(13)35-23-20(30)19(29)18(28)16(10-25)34-23/h2-8,11,13-14,16,18-20,22-23,25,28-30H,1,9-10H2,(H-,26,27,31,32)/b6-5+/t13-,14+,16-,18-,19+,20-,22+,23+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)[O-])[C@H]1/C=C/c1ccc[n+](CC(=O)O)c1,C23H27NO11,pos_1_1proton1acetonitrile,493.158410684,BSOLHSZWRMTETL,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 118212,4962,-1,,,,0.0,MS1_match,ZTKRNEHDDSFTES-RFHDDPBLSA-N,"InChI=1S/C12H15ClO6/c1-5-10-18-9(15)8-11(5,16)3-7(17-6(2)14)12(8,4-13)19-10/h7-10,15-16H,1,3-4H2,2H3/t7-,8-,9+,10-,11-,12+/m1/s1",C=C1[C@@H]2O[C@H](O)[C@H]3[C@@](CCl)(O2)[C@H](OC(C)=O)C[C@@]13O,C12H15ClO6,pos_1_1proton1acetonitrile,290.05571588,ZTKRNEHDDSFTES,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,0,6.0 118213,4962,-1,,,,0.0,MS1_match,ZTKRNEHDDSFTES-UHFFFAOYSA-N,"InChI=1S/C12H15ClO6/c1-5-10-18-9(15)8-11(5,16)3-7(17-6(2)14)12(8,4-13)19-10/h7-10,15-16H,1,3-4H2,2H3",C=C1C2OC(O)C3C1(O)CC(OC(C)=O)C3(CCl)O2,C12H15ClO6,pos_1_1proton1acetonitrile,290.05571588,ZTKRNEHDDSFTES,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 118199,4959,-1,,,,0.5375891,ISDB,XBTUEUZQDYSZCE-XZUYRWCXSA-N,"InChI=1S/C13H15NO3/c15-10-3-4-14-9-2-1-8-5-12(16)17-13(8,7-9)11(14)6-10/h1-2,5,9-11,15H,3-4,6-7H2/t9-,10+,11-,13+/m1/s1",O=C1C=C2C=C[C@@H]3C[C@@]2(O1)[C@H]1C[C@@H](O)CCN31,C13H15NO3,,233.10519334,XBTUEUZQDYSZCE,Alkaloids,,,Flueggea suffruticosa,351504.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Flueggea'],['Flueggea suffruticosa'],4,0,6.150356292724609 118200,4959,-1,,,,0.5375891,ISDB,XBTUEUZQDYSZCE-XZUYRWCXSA-N,"InChI=1S/C13H15NO3/c15-10-3-4-14-9-2-1-8-5-12(16)17-13(8,7-9)11(14)6-10/h1-2,5,9-11,15H,3-4,6-7H2/t9-,10+,11-,13+/m1/s1",O=C1C=C2C=C[C@@H]3C[C@@]2(O1)[C@H]1C[C@@H](O)CCN31,C13H15NO3,,233.10519334,XBTUEUZQDYSZCE,Alkaloids,,,Margaritaria indica,948375.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Margaritaria'],['Margaritaria indica'],4,0,6.150356292724609 118196,4958,145,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.22919166,ISDB,OTBKATNIYSZVJP-UHFFFAOYSA-N,"InChI=1S/C17H23NO5/c1-21-13-10-12(11-14(22-2)17(13)23-3)7-8-16(20)18-9-5-4-6-15(18)19/h10-11H,4-9H2,1-3H3",COc1cc(CCC(=O)N2CCCCC2=O)cc(OC)c1OC,C17H23NO5,,321.157622836,OTBKATNIYSZVJP,Alkaloids,Lysine alkaloids,,Piper swartzianum,366805.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper swartzianum'],4,1,5.41676664352417 118197,4958,145,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.22919166,ISDB,OTBKATNIYSZVJP-UHFFFAOYSA-N,"InChI=1S/C17H23NO5/c1-21-13-10-12(11-14(22-2)17(13)23-3)7-8-16(20)18-9-5-4-6-15(18)19/h10-11H,4-9H2,1-3H3",COc1cc(CCC(=O)N2CCCCC2=O)cc(OC)c1OC,C17H23NO5,,321.157622836,OTBKATNIYSZVJP,Alkaloids,Lysine alkaloids,,Piper tuberculatum,443344.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper tuberculatum'],4,1,5.41676664352417 118190,4955,199,Terpenoids,Diterpenoids,Guaiane sesquiterpenoids,0.31207085,ISDB,JDKUSIUPEUOZEW-MUFKJQONSA-N,"InChI=1S/C24H38O6/c1-16(11-13-25)10-12-23(3)18(15-30-22(29)9-8-21(27)28)19(26)14-24(4)17(2)6-5-7-20(23)24/h6,11,18-20,25-26H,5,7-10,12-15H2,1-4H3,(H,27,28)/b16-11+/t18-,19+,20-,23+,24+/m1/s1",CC1=CCC[C@@H]2[C@@](C)(CC/C(C)=C/CO)[C@H](COC(=O)CCC(=O)O)[C@@H](O)C[C@@]12C,C24H38O6,,422.266838936,JDKUSIUPEUOZEW,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Baccharis pteronioides,3898913.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis pteronioides'],4,2,6.248283386230469 118189,4952,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.25196505,ISDB,,,,,,,NGTPNCMIHZRDSX,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.0078601837158203 118184,4948,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NMICSFNNFDNGEL-UHFFFAOYSA-N,"InChI=1S/C25H20O9/c1-31-20-7-13(2-4-15(20)28)25-23(11-26)33-21-6-12(3-5-18(21)34-25)19-10-17(30)24-16(29)8-14(27)9-22(24)32-19/h2-10,23,25-29H,11H2,1H3",COc1cc(C2Oc3ccc(-c4cc(=O)c5c(O)cc(O)cc5o4)cc3OC2CO)ccc1O,C25H20O9,pos_1_1proton1methanol,464.11073222,NMICSFNNFDNGEL,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,1,7.5 118185,4948,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NMICSFNNFDNGEL-UHFFFAOYSA-N,"InChI=1S/C25H20O9/c1-31-20-7-13(2-4-15(20)28)25-23(11-26)33-21-6-12(3-5-18(21)34-25)19-10-17(30)24-16(29)8-14(27)9-22(24)32-19/h2-10,23,25-29H,11H2,1H3",COc1cc(C2Oc3ccc(-c4cc(=O)c5c(O)cc(O)cc5o4)cc3OC2CO)ccc1O,C25H20O9,pos_1_1proton1methanol,464.11073222,NMICSFNNFDNGEL,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,1,7.5 118182,4946,-1,,,,0.0,MS1_match,AQOVEYNSQFBSQX-STMBSLSDSA-N,"InChI=1S/C16H20O5/c1-4-13(11-17)16(18)21-9-5-6-12-7-8-14(19-2)15(10-12)20-3/h4-8,10,17H,9,11H2,1-3H3/b6-5+,13-4-",C/C=C(/CO)C(=O)OC/C=C/c1ccc(OC)c(OC)c1,C16H20O5,pos_1_1proton1ammonium,292.13107374,AQOVEYNSQFBSQX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Morina chinensis,68249.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Morina'],['Morina chinensis'],6,0,6.0 118183,4946,-1,,,,0.0,MS1_match,YDYHOAALGZGNKR-IVTISIJFSA-N,"InChI=1S/C28H40O10/c1-8-18(6)11-25(32)37-22-12-21-20(13-34-19(7)29)14-35-27(38-24(31)10-17(4)5)26(21)28(22,33)15-36-23(30)9-16(2)3/h10,12,14,16,18,22,26-27,33H,8-9,11,13,15H2,1-7H3/t18-,22-,26+,27-,28+/m0/s1",CC[C@H](C)CC(=O)O[C@H]1C=C2C(COC(C)=O)=CO[C@@H](OC(=O)C=C(C)C)[C@@H]2[C@@]1(O)COC(=O)CC(C)C,C28H40O10,pos_2_2proton2acetonitrile,536.26214748,YDYHOAALGZGNKR,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana sorbifolia,445623.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana sorbifolia'],6,0,6.0 118092,4945,512,Terpenoids,Aromatic polyketides,Aromatic polyketides with side chains,0.5828165,ISDB,FHEJLVSXCHPHAN-FPLPWBNLSA-N,"InChI=1S/C24H36O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23(28)21(26)18(2)22(27)24(20)29-19(3)25/h7-8,26H,4-6,9-17H2,1-3H3/b8-7-",CCCC/C=C\CCCCCCCCCC1=C(OC(C)=O)C(=O)C(C)=C(O)C1=O,C24H36O5,,404.256274252,FHEJLVSXCHPHAN,Polyketides,Aromatic polyketides,Aromatic polyketides with side chains,Maesa lanceolata,607844.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Primulaceae'],['Unknown'],['Maesa'],['Maesa lanceolata'],4,3,7.831265926361084 118088,4944,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.26719972,ISDB,,,,,,,WKZDKIOOVRHFNX,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.0687988996505737 118087,4937,-1,,,,0.23000921,ISDB,JDKUSIUPEUOZEW-MUFKJQONSA-N,"InChI=1S/C24H38O6/c1-16(11-13-25)10-12-23(3)18(15-30-22(29)9-8-21(27)28)19(26)14-24(4)17(2)6-5-7-20(23)24/h6,11,18-20,25-26H,5,7-10,12-15H2,1-4H3,(H,27,28)/b16-11+/t18-,19+,20-,23+,24+/m1/s1",CC1=CCC[C@@H]2[C@@](C)(CC/C(C)=C/CO)[C@H](COC(=O)CCC(=O)O)[C@@H](O)C[C@@]12C,C24H38O6,,422.266838936,JDKUSIUPEUOZEW,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Baccharis pteronioides,3898913.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis pteronioides'],4,0,4.920036852359772 118086,4932,774,,,,0.22866964,ISDB,,,,,,,KBWVUHRNDGZVAA,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.9146785736083984 118082,4931,-1,,,,0.0,MS1_match,QLJNETOQFQXTLI-JKUDBEEXSA-N,"InChI=1S/C26H32O11/c1-32-18-7-12(3-5-16(18)28)24-14-10-35-25(15(14)11-34-24)13-4-6-17(19(8-13)33-2)36-26-23(31)22(30)21(29)20(9-27)37-26/h3-8,14-15,20-31H,9-11H2,1-2H3/t14-,15-,20-,21-,22+,23-,24+,25+,26-/m1/s1",COc1cc([C@@H]2OC[C@@H]3[C@H]2CO[C@H]3c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)ccc1O,C26H32O11,pos_1_sodium,520.1944618439999,QLJNETOQFQXTLI,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Clematis hexapetala,226633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis hexapetala'],8,0,8.0 118083,4931,-1,,,,0.0,MS1_match,QLJNETOQFQXTLI-JKUDBEEXSA-N,"InChI=1S/C26H32O11/c1-32-18-7-12(3-5-16(18)28)24-14-10-35-25(15(14)11-34-24)13-4-6-17(19(8-13)33-2)36-26-23(31)22(30)21(29)20(9-27)37-26/h3-8,14-15,20-31H,9-11H2,1-2H3/t14-,15-,20-,21-,22+,23-,24+,25+,26-/m1/s1",COc1cc([C@@H]2OC[C@@H]3[C@H]2CO[C@H]3c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)ccc1O,C26H32O11,pos_1_sodium,520.1944618439999,QLJNETOQFQXTLI,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Clematis hexapetala,226633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis hexapetala'],8,0,8.0 118074,4929,1492,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,0.60202456,ISDB,GQGXEILPTLCMFO-OCCSQVGLSA-N,"InChI=1S/C16H19NO5/c1-16(2)14(19)12(18)10-13(22-16)8-6-5-7-9(21-4)11(8)17(3)15(10)20/h5-7,12,14,18-19H,1-4H3/t12-,14+/m1/s1",COc1cccc2c3c(c(=O)n(C)c12)[C@@H](O)[C@H](O)C(C)(C)O3,C16H19NO5,,305.126322708,GQGXEILPTLCMFO,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,Zanthoxylum beecheyanum,743556.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum beecheyanum'],4,3,7.908098220825195 118075,4929,1492,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,0.60202456,ISDB,GQGXEILPTLCMFO-OCCSQVGLSA-N,"InChI=1S/C16H19NO5/c1-16(2)14(19)12(18)10-13(22-16)8-6-5-7-9(21-4)11(8)17(3)15(10)20/h5-7,12,14,18-19H,1-4H3/t12-,14+/m1/s1",COc1cccc2c3c(c(=O)n(C)c12)[C@@H](O)[C@H](O)C(C)(C)O3,C16H19NO5,,305.126322708,GQGXEILPTLCMFO,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,Zanthoxylum simulans,889927.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum simulans'],4,3,7.908098220825195 118076,4929,1492,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,0.60202456,ISDB,GQGXEILPTLCMFO-OCCSQVGLSA-N,"InChI=1S/C16H19NO5/c1-16(2)14(19)12(18)10-13(22-16)8-6-5-7-9(21-4)11(8)17(3)15(10)20/h5-7,12,14,18-19H,1-4H3/t12-,14+/m1/s1",COc1cccc2c3c(c(=O)n(C)c12)[C@@H](O)[C@H](O)C(C)(C)O3,C16H19NO5,,305.126322708,GQGXEILPTLCMFO,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,Rauia resinosa,6126588.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Rauia'],['Rauia resinosa'],4,3,7.908098220825195 118072,4928,66,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,VJPHRAFHYZGASA-FLPVFDBPSA-N,"InChI=1S/C25H36O10/c1-7-15(4)9-22(29)35-24-23-19(18(12-32-24)11-31-16(5)26)10-20(34-21(28)8-14(2)3)25(23,30)13-33-17(6)27/h10,12,14-15,20,23-24,30H,7-9,11,13H2,1-6H3/t15-,20+,23-,24+,25-/m0/s1",CC[C@H](C)CC(=O)O[C@H]1OC=C(COC(C)=O)C2=C[C@@H](OC(=O)CC(C)C)[C@@](O)(COC(C)=O)[C@@H]21,C25H36O10,pos_1_1potassium,496.230847352,VJPHRAFHYZGASA,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,3,7.5 118073,4928,66,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,GWGCPLJQSZLBJE-JEORNDINSA-N,"InChI=1S/C25H36O10/c1-7-14(4)8-20(28)35-24-21-18(9-19(33-15(5)26)25(21)12-32-25)17(11-31-24)10-30-23(29)22(13(2)3)34-16(6)27/h11,13-14,18-19,21-22,24H,7-10,12H2,1-6H3/t14-,18+,19-,21+,22+,24-,25+/m0/s1",CC[C@H](C)CC(=O)O[C@@H]1OC=C(COC(=O)[C@H](OC(C)=O)C(C)C)[C@H]2C[C@H](OC(C)=O)[C@]3(CO3)[C@@H]12,C25H36O10,pos_1_1potassium,496.230847352,GWGCPLJQSZLBJE,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana pulvinata,7625148.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana pulvinata'],6,3,7.5 118052,4924,344,Fatty acids,Fatty esters,Wax monoesters,0.7137505,ISDB,QASFUMOKHFSJGL-LAFRSMQTSA-N,"InChI=1S/C27H41NO2/c1-15-11-24-25(28-14-15)17(3)27(30-24)10-8-20-21-6-5-18-12-19(29)7-9-26(18,4)23(21)13-22(20)16(27)2/h5,15,17,19-21,23-25,28-29H,6-14H2,1-4H3/t15-,17+,19-,20-,21-,23-,24+,25-,26-,27-/m0/s1",CC1=C2C[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]2CC[C@]12O[C@@H]1C[C@H](C)CN[C@H]1[C@H]2C,C27H41NO2,,411.313729552,QASFUMOKHFSJGL,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Veratrum dahuricum,696806.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Liliales'],['Melanthiaceae'],['Unknown'],['Veratrum'],['Veratrum dahuricum'],4,0,6.855001926422119 118053,4924,344,Fatty acids,Fatty esters,Wax monoesters,0.7137505,ISDB,QASFUMOKHFSJGL-LAFRSMQTSA-N,"InChI=1S/C27H41NO2/c1-15-11-24-25(28-14-15)17(3)27(30-24)10-8-20-21-6-5-18-12-19(29)7-9-26(18,4)23(21)13-22(20)16(27)2/h5,15,17,19-21,23-25,28-29H,6-14H2,1-4H3/t15-,17+,19-,20-,21-,23-,24+,25-,26-,27-/m0/s1",CC1=C2C[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]2CC[C@]12O[C@@H]1C[C@H](C)CN[C@H]1[C@H]2C,C27H41NO2,,411.313729552,QASFUMOKHFSJGL,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Veratrum californicum,603934.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Liliales'],['Melanthiaceae'],['Unknown'],['Veratrum'],['Veratrum californicum'],4,0,6.855001926422119 118054,4924,344,Fatty acids,Fatty esters,Wax monoesters,0.7137505,ISDB,QASFUMOKHFSJGL-LAFRSMQTSA-N,"InChI=1S/C27H41NO2/c1-15-11-24-25(28-14-15)17(3)27(30-24)10-8-20-21-6-5-18-12-19(29)7-9-26(18,4)23(21)13-22(20)16(27)2/h5,15,17,19-21,23-25,28-29H,6-14H2,1-4H3/t15-,17+,19-,20-,21-,23-,24+,25-,26-,27-/m0/s1",CC1=C2C[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]2CC[C@]12O[C@@H]1C[C@H](C)CN[C@H]1[C@H]2C,C27H41NO2,,411.313729552,QASFUMOKHFSJGL,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Veratrum grandiflorum,1088325.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Liliales'],['Melanthiaceae'],['Unknown'],['Veratrum'],['Veratrum grandiflorum'],4,0,6.855001926422119 118051,4919,344,Fatty acids,Fatty esters,Wax monoesters,0.42327324,ISDB,YHIXRNNWDBPKPW-JOCHJYFZSA-N,"InChI=1S/C24H48NO8P/c1-6-8-10-12-14-16-23(26)30-20-22(33-24(27)17-15-13-11-9-7-2)21-32-34(28,29)31-19-18-25(3,4)5/h22H,6-21H2,1-5H3/t22-/m1/s1",CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC,C24H48NO8P,,509.311754126,YHIXRNNWDBPKPW,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Valsa sordida,382306.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Diaporthales'],['Valsaceae'],['Unknown'],['Valsa'],['Valsa sordida'],1,1,3.193092942237854 118049,4917,442,Alkaloids,Lysine alkaloids,Indolizidine alkaloids,0.7305126,ISDB,WLFMEQAKLOQAMK-UHFFFAOYSA-N,"InChI=1S/C18H19NO5/c1-22-14-8-18-4-2-15(20)19(18)5-3-10-6-12-13(24-9-23-12)7-11(10)16(18)17(14)21/h6-8,16-17,21H,2-5,9H2,1H3",COC1=CC23CCC(=O)N2CCc2cc4c(cc2C3C1O)OCO4,C18H19NO5,,329.126322708,WLFMEQAKLOQAMK,Alkaloids,Lysine alkaloids,Indolizidine alkaloids,Cephalotaxus harringtonia,10224.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Cephalotaxus'],['Cephalotaxus harringtonia'],3,3,7.422050476074219 118048,4915,-1,,,,0.21684259,ISDB,,,,,,,UEWALUCYMCDVGT,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.8673703670501709 118016,4914,145,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.4140972,ISDB,RRWYPLCSLKEVAO-CQSZACIVSA-N,"InChI=1S/C20H21NO5/c1-24-15-10-12-6-9-21(19(23)26-3)14-11-20(7-4-13(22)5-8-20)17(16(12)14)18(15)25-2/h4-5,7-8,10,14H,6,9,11H2,1-3H3/t14-/m1/s1",COC(=O)N1CCc2cc(OC)c(OC)c3c2[C@H]1CC31C=CC(=O)C=C1,C20H21NO5,,355.141972772,RRWYPLCSLKEVAO,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Annona purpurea,592770.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Annoneae'],['Annona'],['Annona purpurea'],4,3,7.156388759613037 118017,4914,145,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.4140972,ISDB,RRWYPLCSLKEVAO-UHFFFAOYSA-N,"InChI=1S/C20H21NO5/c1-24-15-10-12-6-9-21(19(23)26-3)14-11-20(7-4-13(22)5-8-20)17(16(12)14)18(15)25-2/h4-5,7-8,10,14H,6,9,11H2,1-3H3",COC(=O)N1CCc2cc(OC)c(OC)c3c2C1CC31C=CC(=O)C=C1,C20H21NO5,,355.141972772,RRWYPLCSLKEVAO,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Annona mucosa,1092024.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Annoneae'],['Annona'],['Annona mucosa'],4,3,7.156388759613037 118014,4911,21,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,DAUAQNGYDSHRET-UHFFFAOYSA-N,"InChI=1S/C9H10O4/c1-12-7-4-3-6(9(10)11)5-8(7)13-2/h3-5H,1-2H3,(H,10,11)",COc1ccc(C(=O)O)cc1OC,C9H10O4,pos_2MHNH3,182.0579088,DAUAQNGYDSHRET,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Trollius chinensis,877307.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Adonideae'],['Trollius'],['Trollius chinensis'],6,3,7.5 117990,4909,56,Amino acids and Peptides,Oligopeptides,Cyclic peptides,0.6567353,ISDB,NHNDCMROOPKDNF-BYZHJWIBSA-N,"InChI=1S/C30H44N6O7/c1-5-18(4)25-30(43)36-13-9-12-22(36)28(41)31-15-23(38)34-24(17(2)3)29(42)32-20(14-19-10-7-6-8-11-19)26(39)33-21(16-37)27(40)35-25/h6-8,10-11,17-18,20-22,24-25,37H,5,9,12-16H2,1-4H3,(H,31,41)(H,32,42)(H,33,39)(H,34,38)(H,35,40)/t18-,20-,21-,22-,24-,25-/m0/s1",CC[C@H](C)[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)CNC(=O)[C@@H]2CCCN2C1=O,C30H44N6O7,,600.3271477479999,NHNDCMROOPKDNF,Amino acids and Peptides,Oligopeptides,Cyclic peptides,Dianthus longicalyx,904393.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Caryophylleae'],['Dianthus'],['Dianthus longicalyx'],4,3,8.126941204071045 117991,4909,56,Amino acids and Peptides,Oligopeptides,Cyclic peptides,0.6567353,ISDB,NHNDCMROOPKDNF-BYZHJWIBSA-N,"InChI=1S/C30H44N6O7/c1-5-18(4)25-30(43)36-13-9-12-22(36)28(41)31-15-23(38)34-24(17(2)3)29(42)32-20(14-19-10-7-6-8-11-19)26(39)33-21(16-37)27(40)35-25/h6-8,10-11,17-18,20-22,24-25,37H,5,9,12-16H2,1-4H3,(H,31,41)(H,32,42)(H,33,39)(H,34,38)(H,35,40)/t18-,20-,21-,22-,24-,25-/m0/s1",CC[C@H](C)[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)CNC(=O)[C@@H]2CCCN2C1=O,C30H44N6O7,,600.3271477479999,NHNDCMROOPKDNF,Amino acids and Peptides,Oligopeptides,Cyclic peptides,Dianthus superbus,432192.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Caryophylleae'],['Dianthus'],['Dianthus superbus'],4,3,8.126941204071045 117989,4906,774,,,,0.20833358,ISDB,,,,,,,LLZPQHOZAQNDCM,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.8333343267440796 117973,4901,94,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.4027157,ISDB,RVYUTDKHUFWTFC-RFYAXJIXSA-N,"InChI=1S/C18H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h8-9,12-15,17H,4-7,10-11,16H2,1-3H3,(H,19,20)/b9-8-,13-12+,15-14+",CCCCC/C=C\CC/C=C/C=C/C(=O)NCC(C)C,C18H31NO,,277.240564612,RVYUTDKHUFWTFC,Fatty acids,Fatty amides,N-acyl amines,Zanthoxylum petiolare,5747734.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum petiolare'],4,1,6.110862851142883 117974,4901,94,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.4027157,ISDB,RVYUTDKHUFWTFC-UHFFFAOYSA-N,"InChI=1S/C18H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h8-9,12-15,17H,4-7,10-11,16H2,1-3H3,(H,19,20)",CCCCCC=CCCC=CC=CC(=O)NCC(C)C,C18H31NO,,277.240564612,RVYUTDKHUFWTFC,Fatty acids,Fatty amides,N-acyl amines,Piper chaba,505281.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper retrofractum'],4,1,6.110862851142883 117975,4901,94,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.4027157,ISDB,RVYUTDKHUFWTFC-RFYAXJIXSA-N,"InChI=1S/C18H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h8-9,12-15,17H,4-7,10-11,16H2,1-3H3,(H,19,20)/b9-8-,13-12+,15-14+",CCCCC/C=C\CC/C=C/C=C/C(=O)NCC(C)C,C18H31NO,,277.240564612,RVYUTDKHUFWTFC,Fatty acids,Fatty amides,N-acyl amines,Leucocyclus formosus,616330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Leucocyclus'],['Leucocyclus formosus'],4,1,6.110862851142883 117976,4901,94,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.4027157,ISDB,RVYUTDKHUFWTFC-RFYAXJIXSA-N,"InChI=1S/C18H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h8-9,12-15,17H,4-7,10-11,16H2,1-3H3,(H,19,20)/b9-8-,13-12+,15-14+",CCCCC/C=C\CC/C=C/C=C/C(=O)NCC(C)C,C18H31NO,,277.240564612,RVYUTDKHUFWTFC,Fatty acids,Fatty amides,N-acyl amines,Achillea formosa,4416.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Achillea'],['Achillea formosa'],4,1,6.110862851142883 117977,4901,94,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.4027157,ISDB,RVYUTDKHUFWTFC-RFYAXJIXSA-N,"InChI=1S/C18H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h8-9,12-15,17H,4-7,10-11,16H2,1-3H3,(H,19,20)/b9-8-,13-12+,15-14+",CCCCC/C=C\CC/C=C/C=C/C(=O)NCC(C)C,C18H31NO,,277.240564612,RVYUTDKHUFWTFC,Fatty acids,Fatty amides,N-acyl amines,Piper formosum,6030745.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper formosum'],4,1,6.110862851142883 117978,4901,94,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.4027157,ISDB,RVYUTDKHUFWTFC-RFYAXJIXSA-N,"InChI=1S/C18H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h8-9,12-15,17H,4-7,10-11,16H2,1-3H3,(H,19,20)/b9-8-,13-12+,15-14+",CCCCC/C=C\CC/C=C/C=C/C(=O)NCC(C)C,C18H31NO,,277.240564612,RVYUTDKHUFWTFC,Fatty acids,Fatty amides,N-acyl amines,Piper retrofractum,505281.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper retrofractum'],4,1,6.110862851142883 117979,4901,94,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.4027157,ISDB,RVYUTDKHUFWTFC-RFYAXJIXSA-N,"InChI=1S/C18H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h8-9,12-15,17H,4-7,10-11,16H2,1-3H3,(H,19,20)/b9-8-,13-12+,15-14+",CCCCC/C=C\CC/C=C/C=C/C(=O)NCC(C)C,C18H31NO,,277.240564612,RVYUTDKHUFWTFC,Fatty acids,Fatty amides,N-acyl amines,Achillea nana,395148.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Achillea'],['Achillea nana'],4,1,6.110862851142883 117980,4901,94,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.4027157,ISDB,RVYUTDKHUFWTFC-RFYAXJIXSA-N,"InChI=1S/C18H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h8-9,12-15,17H,4-7,10-11,16H2,1-3H3,(H,19,20)/b9-8-,13-12+,15-14+",CCCCC/C=C\CC/C=C/C=C/C(=O)NCC(C)C,C18H31NO,,277.240564612,RVYUTDKHUFWTFC,Fatty acids,Fatty amides,N-acyl amines,Otanthus maritimus,195139.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Otanthus'],['Otanthus maritimus'],4,1,6.110862851142883 117981,4901,94,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.4027157,ISDB,RVYUTDKHUFWTFC-RFYAXJIXSA-N,"InChI=1S/C18H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h8-9,12-15,17H,4-7,10-11,16H2,1-3H3,(H,19,20)/b9-8-,13-12+,15-14+",CCCCC/C=C\CC/C=C/C=C/C(=O)NCC(C)C,C18H31NO,,277.240564612,RVYUTDKHUFWTFC,Fatty acids,Fatty amides,N-acyl amines,Achillea maritima,869832.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Achillea'],['Achillea maritima'],4,1,6.110862851142883 117970,4893,-1,,,,0.21914183,ISDB,CAEDYXLYBKMFFK-BCGQYMPOSA-N,"InChI=1S/C43H70O6/c1-9-10-11-12-13-14-15-16-17-20-39(45)48-27-18-19-38-36(33(4)30-44)25-26-42(8,47)43(38)29-35(49-40(43)46)28-31(2)21-24-37-32(3)22-23-34(5)41(37,6)7/h21,24,28,30,34-35,38,40,46-47H,9-20,22-23,25-27,29H2,1-8H3/b24-21+,31-28+,36-33-/t34-,35-,38+,40+,42-,43-/m0/s1",CCCCCCCCCCCC(=O)OCCC[C@@H]1/C(=C(/C)C=O)CC[C@](C)(O)[C@@]12C[C@H](/C=C(C)/C=C/C1=C(C)CC[C@H](C)C1(C)C)O[C@H]2O,C43H70O6,,682.51723996,CAEDYXLYBKMFFK,Terpenoids,Diterpenoids,Labdane diterpenoids,Iris hoogiana,248945.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Iridaceae'],['Irideae'],['Iris'],['Iris hoogiana'],4,0,4.876567304134369 117969,4892,-1,,,,0.22450656,ISDB,,,,,,,PGVRRDBKGGPNGV,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.8980262279510498 117961,4891,-1,,,,0.0,MS1_match,SMFKCIHIAHWGGL-LQMUPLJOSA-N,"InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(13(21)8-17)26-14(22)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-21,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m0/s1",COC(=O)[C@]1(O)C[C@H](O)[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](O)C1,C17H20O9,pos_1_1proton1ammonium,368.11073222,SMFKCIHIAHWGGL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera bournei,5746380.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera bournei'],7,0,7.0 117962,4891,-1,,,,0.0,MS1_match,SMFKCIHIAHWGGL-LQMUPLJOSA-N,"InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(13(21)8-17)26-14(22)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-21,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m0/s1",COC(=O)[C@]1(O)C[C@H](O)[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](O)C1,C17H20O9,pos_1_1proton1ammonium,368.11073222,SMFKCIHIAHWGGL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera bournei,5746380.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera bournei'],7,0,7.0 117963,4891,-1,,,,0.0,MS1_match,MZNIJRAPCCELQX-LQMUPLJOSA-N,"InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m0/s1",COC(=O)[C@]1(O)C[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](O)[C@@H](O)C1,C17H20O9,pos_1_1proton1ammonium,368.1107322199999,MZNIJRAPCCELQX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera bournei,5746380.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera bournei'],7,0,7.0 117964,4891,-1,,,,0.0,MS1_match,MZNIJRAPCCELQX-AWOKGZDASA-N,"InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m1/s1",COC(=O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1,C17H20O9,pos_1_1proton1ammonium,368.1107322199999,MZNIJRAPCCELQX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 117965,4891,-1,,,,0.0,MS1_match,MZNIJRAPCCELQX-LQMUPLJOSA-N,"InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m0/s1",COC(=O)[C@]1(O)C[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](O)[C@@H](O)C1,C17H20O9,pos_1_1proton1ammonium,368.1107322199999,MZNIJRAPCCELQX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera bournei,5746380.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera bournei'],7,0,7.0 117966,4891,-1,,,,0.0,MS1_match,MZNIJRAPCCELQX-AWOKGZDASA-N,"InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m1/s1",COC(=O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1,C17H20O9,pos_1_1proton1ammonium,368.1107322199999,MZNIJRAPCCELQX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 117803,4889,30,Alkaloids,Tyrosine alkaloids,Cinnamic acid amides,0.6521093,ISDB,YVJONNCAHSDDLZ-WEVVVXLNSA-N,"InChI=1S/C18H19NO4/c1-23-17-8-4-14(12-16(17)21)5-9-18(22)19-11-10-13-2-6-15(20)7-3-13/h2-9,12,20-21H,10-11H2,1H3,(H,19,22)/b9-5+",COc1ccc(/C=C/C(=O)NCCc2ccc(O)cc2)cc1O,C18H19NO4,,313.131408088,YVJONNCAHSDDLZ,Amino acids and Peptides,Phenylpropanoids (C6-C3),Cinnamic acid amides,Lycium chinense,58730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium chinense'],4,3,8.108437299728394 117716,4886,-1,,,,0.24731132,ISDB,LAXIYINGQJWPCG-OHDICMOHSA-N,"InChI=1S/C19H20O4/c1-18-8-6-13-17(21)23-14(12-7-9-22-11-12)10-19(13,2)15(18)4-3-5-16(18)20/h3,5-7,9,11,14-15H,4,8,10H2,1-2H3/t14-,15-,18-,19-/m1/s1",C[C@@]12CC=C3C(=O)O[C@@H](c4ccoc4)C[C@@]3(C)[C@@H]1CC=CC2=O,C19H20O4,,312.13615911999995,LAXIYINGQJWPCG,Terpenoids,Diterpenoids,,Fibraurea tinctoria,678311.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Menispermaceae'],['Burasaieae'],['Fibraurea'],['Fibraurea tinctoria'],5,0,5.989245295524597 117709,4885,-1,,,,0.38976905,ISDB,,,,,,,SIIIQDOZFLUJLN,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.559076189994812 117708,4881,-1,,,,0.0,MS1_match,GHKISGDRQRSCII-ZOCIIQOWSA-N,"InChI=1S/C20H19NO5/c1-21-7-13-11(2-3-15-20(13)26-9-23-15)18-14(22)4-10-5-16-17(25-8-24-16)6-12(10)19(18)21/h2-3,5-6,14,18-19,22H,4,7-9H2,1H3/t14-,18-,19+/m0/s1",CN1Cc2c(ccc3c2OCO3)[C@@H]2[C@H]1c1cc3c(cc1C[C@@H]2O)OCO3,C20H19NO5,pos_1_sodium,353.126322708,GHKISGDRQRSCII,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Symphoricarpos albus,717590.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Symphoricarpos'],['Symphoricarpos albus'],6,0,6.0 117705,4880,287,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,JNPXCTROEJQHKD-KAZAEUKGSA-N,"InChI=1S/C21H30O13/c1-2-9-10-3-4-29-17(27)11(10)5-30-18(9)34-19-15(25)14(24)13(23)12(33-19)6-31-20-16(26)21(28,7-22)8-32-20/h2,5,9-10,12-16,18-20,22-26,28H,1,3-4,6-8H2/t9-,10-,12+,13+,14-,15+,16-,18-,19-,20+,21+/m0/s1",C=C[C@@H]1[C@H](O[C@@H]2O[C@H](CO[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCC[C@H]21,C21H30O13,pos_2_1proton1potassium,490.16864102,JNPXCTROEJQHKD,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera quinquelocularis,118025.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera quinquelocularis'],7,0,7.0 117701,4879,30,Alkaloids,Tyrosine alkaloids,Cinnamic acid amides,0.6216283,ISDB,WTPJVIGCNHPGKJ-KJTGTQQJSA-N,"InChI=1S/C18H19NO5/c1-24-17(22)12-18(23)10-9-14(20)11-15(18)19-16(21)8-7-13-5-3-2-4-6-13/h2-10,15,23H,11-12H2,1H3,(H,19,21)/b8-7+/t15-,18-/m0/s1",COC(=O)C[C@@]1(O)C=CC(=O)C[C@@H]1NC(=O)/C=C/c1ccccc1,C18H19NO5,,329.126322708,WTPJVIGCNHPGKJ,Amino acids and Peptides,Phenylpropanoids (C6-C3),Cinnamic acid amides,Toussaintia orientalis,704447.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Uvarieae'],['Toussaintia'],['Toussaintia orientalis'],4,3,7.986513137817383 117649,4876,-1,,,,0.0,MS1_match,XWOHZIIPBYAMJX-KHBMLBSESA-N,"InChI=1S/C11H16O5/c1-5-8(12)3-6-7(10(13)15-2)4-16-11(14)9(5)6/h4-6,8-9,11-12,14H,3H2,1-2H3/t5-,6+,8-,9+,11+/m0/s1",COC(=O)C1=CO[C@@H](O)[C@@H]2[C@@H](C)[C@@H](O)C[C@H]12,C11H16O5,pos_2MHCH3CN,228.099773612,XWOHZIIPBYAMJX,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Dipsacus laciniatus,489131.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Dipsacus'],['Dipsacus laciniatus'],6,0,6.0 117650,4876,-1,,,,0.0,MS1_match,FWKBQAVMKVZEOT-STCFVSJZSA-N,"InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1,C24H32O10,pos_1_1proton1ammonium,480.1995472239999,FWKBQAVMKVZEOT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana cardamines,6061598.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana cardamines'],6,0,6.0 117651,4876,-1,,,,0.0,MS1_match,FWKBQAVMKVZEOT-STCFVSJZSA-N,"InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1,C24H32O10,pos_1_1proton1ammonium,480.1995472239999,FWKBQAVMKVZEOT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana condamoana,6061611.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana condamoana'],6,0,6.0 117652,4876,-1,,,,0.0,MS1_match,FWKBQAVMKVZEOT-STCFVSJZSA-N,"InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1,C24H32O10,pos_1_1proton1ammonium,480.1995472239999,FWKBQAVMKVZEOT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana prionophylla,526653.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana prionophylla'],6,0,6.0 117653,4876,-1,,,,0.0,MS1_match,FWKBQAVMKVZEOT-IRNZINHNSA-N,"InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18?,21-,22?,24-/m1/s1",CC(=O)OCC1=COC(OC(=O)CC(C)C)[C@H]2C1=CC(OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1,C24H32O10,pos_1_1proton1ammonium,480.199547224,FWKBQAVMKVZEOT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana,393345.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Unknown'],6,0,6.0 117654,4876,-1,,,,0.0,MS1_match,FWKBQAVMKVZEOT-STCFVSJZSA-N,"InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1,C24H32O10,pos_1_1proton1ammonium,480.1995472239999,FWKBQAVMKVZEOT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Centranthus ruber,759056.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Centranthus'],['Centranthus ruber'],6,0,6.0 117655,4876,-1,,,,0.0,MS1_match,FWKBQAVMKVZEOT-STCFVSJZSA-N,"InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1,C24H32O10,pos_1_1proton1ammonium,480.1995472239999,FWKBQAVMKVZEOT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Fedia cornucopiae,945863.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Fedia'],['Fedia cornucopiae'],6,0,6.0 117656,4876,-1,,,,0.0,MS1_match,FWKBQAVMKVZEOT-STCFVSJZSA-N,"InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1,C24H32O10,pos_1_1proton1ammonium,480.1995472239999,FWKBQAVMKVZEOT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valerianella dentata,476255.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valerianella'],['Valerianella dentata'],6,0,6.0 117657,4876,-1,,,,0.0,MS1_match,FWKBQAVMKVZEOT-STCFVSJZSA-N,"InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1,C24H32O10,pos_1_1proton1ammonium,480.1995472239999,FWKBQAVMKVZEOT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 117658,4876,-1,,,,0.0,MS1_match,FWKBQAVMKVZEOT-STCFVSJZSA-N,"InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1,C24H32O10,pos_1_1proton1ammonium,480.1995472239999,FWKBQAVMKVZEOT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valerianella locusta,459098.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valerianella'],['Valerianella locusta'],6,0,6.0 117659,4876,-1,,,,0.0,MS1_match,FWKBQAVMKVZEOT-STCFVSJZSA-N,"InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1,C24H32O10,pos_1_1proton1ammonium,480.1995472239999,FWKBQAVMKVZEOT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valerianella coronata,445620.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valerianella'],['Valerianella coronata'],6,0,6.0 117660,4876,-1,,,,0.0,MS1_match,FWKBQAVMKVZEOT-STCFVSJZSA-N,"InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1,C24H32O10,pos_1_1proton1ammonium,480.1995472239999,FWKBQAVMKVZEOT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana eriophylla,6061633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana eriophylla'],6,0,6.0 117661,4876,-1,,,,0.0,MS1_match,FWKBQAVMKVZEOT-STCFVSJZSA-N,"InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1,C24H32O10,pos_1_1proton1ammonium,480.1995472239999,FWKBQAVMKVZEOT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,0,6.0 117662,4876,-1,,,,0.0,MS1_match,FWKBQAVMKVZEOT-IRNZINHNSA-N,"InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18?,21-,22?,24-/m1/s1",CC(=O)OCC1=COC(OC(=O)CC(C)C)[C@H]2C1=CC(OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1,C24H32O10,pos_1_1proton1ammonium,480.199547224,FWKBQAVMKVZEOT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Nardostachys jatamansi,24101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Nardostachys'],['Nardostachys jatamansi'],6,0,6.0 117663,4876,-1,,,,0.0,MS1_match,FWKBQAVMKVZEOT-STCFVSJZSA-N,"InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1,C24H32O10,pos_1_1proton1ammonium,480.1995472239999,FWKBQAVMKVZEOT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Centranthus macrosiphon,231861.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Centranthus'],['Centranthus macrosiphon'],6,0,6.0 117664,4876,-1,,,,0.0,MS1_match,FWKBQAVMKVZEOT-STCFVSJZSA-N,"InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1,C24H32O10,pos_1_1proton1ammonium,480.1995472239999,FWKBQAVMKVZEOT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana pseudofficinalis,245963.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana pseudofficinalis'],6,0,6.0 117665,4876,-1,,,,0.0,MS1_match,FWKBQAVMKVZEOT-STCFVSJZSA-N,"InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1,C24H32O10,pos_1_1proton1ammonium,480.1995472239999,FWKBQAVMKVZEOT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plectritis congesta,830567.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Plectritis'],['Plectritis congesta'],6,0,6.0 117666,4876,-1,,,,0.0,MS1_match,FWKBQAVMKVZEOT-STCFVSJZSA-N,"InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1,C24H32O10,pos_1_1proton1ammonium,480.1995472239999,FWKBQAVMKVZEOT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plectritis macrocera,945858.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Plectritis'],['Plectritis macrocera'],6,0,6.0 117667,4876,-1,,,,0.0,MS1_match,FWKBQAVMKVZEOT-STCFVSJZSA-N,"InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1,C24H32O10,pos_1_1proton1ammonium,480.1995472239999,FWKBQAVMKVZEOT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana sitchensis,21459.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana sitchensis'],6,0,6.0 117668,4876,-1,,,,0.0,MS1_match,FWKBQAVMKVZEOT-STCFVSJZSA-N,"InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1,C24H32O10,pos_1_1proton1ammonium,480.1995472239999,FWKBQAVMKVZEOT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana microphylla,21453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana microphylla'],6,0,6.0 117669,4876,-1,,,,0.0,MS1_match,FWKBQAVMKVZEOT-STCFVSJZSA-N,"InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1,C24H32O10,pos_1_1proton1ammonium,480.1995472239999,FWKBQAVMKVZEOT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana micropterina,6061682.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana micropterina'],6,0,6.0 117670,4876,-1,,,,0.0,MS1_match,FWKBQAVMKVZEOT-STCFVSJZSA-N,"InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1,C24H32O10,pos_1_1proton1ammonium,480.1995472239999,FWKBQAVMKVZEOT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana pulvinata,7625148.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana pulvinata'],6,0,6.0 117671,4876,-1,,,,0.0,MS1_match,FWKBQAVMKVZEOT-STCFVSJZSA-N,"InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1,C24H32O10,pos_1_1proton1ammonium,480.1995472239999,FWKBQAVMKVZEOT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana glechomifolia,6061640.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana glechomifolia'],6,0,6.0 117672,4876,-1,,,,0.0,MS1_match,FWKBQAVMKVZEOT-STCFVSJZSA-N,"InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1,C24H32O10,pos_1_1proton1ammonium,480.1995472239999,FWKBQAVMKVZEOT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana sambucifolia,746279.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana sambucifolia'],6,0,6.0 117673,4876,-1,,,,0.0,MS1_match,FWKBQAVMKVZEOT-STCFVSJZSA-N,"InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1,C24H32O10,pos_1_1proton1ammonium,480.1995472239999,FWKBQAVMKVZEOT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana rossica,6061718.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana rossica'],6,0,6.0 117674,4876,-1,,,,0.0,MS1_match,FWKBQAVMKVZEOT-STCFVSJZSA-N,"InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1,C24H32O10,pos_1_1proton1ammonium,480.1995472239999,FWKBQAVMKVZEOT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana glechomifolia,6061640.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana glechomifolia'],6,0,6.0 117675,4876,-1,,,,0.0,MS1_match,FWKBQAVMKVZEOT-STCFVSJZSA-N,"InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1,C24H32O10,pos_1_1proton1ammonium,480.1995472239999,FWKBQAVMKVZEOT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana pulvinata,7625148.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana pulvinata'],6,0,6.0 117676,4876,-1,,,,0.0,MS1_match,HJTVDWWIPXDJBB-UHFFFAOYSA-N,"InChI=1S/C11H16O5/c1-6(5-12)7-4-8(13)11(2,15)9(7)10(14)16-3/h5,7-9,13,15H,1,4H2,2-3H3",C=C(C=O)C1CC(O)C(C)(O)C1C(=O)OC,C11H16O5,pos_2MHCH3CN,228.099773612,HJTVDWWIPXDJBB,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,0,6.0 117677,4876,-1,,,,0.0,MS1_match,NGJFTIGDSFYTPY-UHFFFAOYSA-N,"InChI=1S/C11H16O5/c1-11-7(12)3-5-6(4-15-11)10(14-2)16-9(13)8(5)11/h5-8,10,12H,3-4H2,1-2H3",COC1OC(=O)C2C3CC(O)C2(C)OCC13,C11H16O5,pos_2MHCH3CN,228.099773612,NGJFTIGDSFYTPY,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,0,6.0 117678,4876,-1,,,,0.0,MS1_match,FWKBQAVMKVZEOT-STCFVSJZSA-N,"InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1,C24H32O10,pos_1_1proton1ammonium,480.1995472239999,FWKBQAVMKVZEOT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana eriophylla,6061633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana eriophylla'],6,0,6.0 117679,4876,-1,,,,0.0,MS1_match,FWKBQAVMKVZEOT-STCFVSJZSA-N,"InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1,C24H32O10,pos_1_1proton1ammonium,480.1995472239999,FWKBQAVMKVZEOT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana cardamines,6061598.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana cardamines'],6,0,6.0 117680,4876,-1,,,,0.0,MS1_match,FWKBQAVMKVZEOT-STCFVSJZSA-N,"InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1,C24H32O10,pos_1_1proton1ammonium,480.1995472239999,FWKBQAVMKVZEOT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana condamoana,6061611.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana condamoana'],6,0,6.0 117681,4876,-1,,,,0.0,MS1_match,FWKBQAVMKVZEOT-STCFVSJZSA-N,"InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1,C24H32O10,pos_1_1proton1ammonium,480.1995472239999,FWKBQAVMKVZEOT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana prionophylla,526653.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana prionophylla'],6,0,6.0 117682,4876,-1,,,,0.0,MS1_match,FWKBQAVMKVZEOT-IRNZINHNSA-N,"InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18?,21-,22?,24-/m1/s1",CC(=O)OCC1=COC(OC(=O)CC(C)C)[C@H]2C1=CC(OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1,C24H32O10,pos_1_1proton1ammonium,480.199547224,FWKBQAVMKVZEOT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana,393345.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Unknown'],6,0,6.0 117683,4876,-1,,,,0.0,MS1_match,FWKBQAVMKVZEOT-STCFVSJZSA-N,"InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1,C24H32O10,pos_1_1proton1ammonium,480.1995472239999,FWKBQAVMKVZEOT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Centranthus ruber,759056.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Centranthus'],['Centranthus ruber'],6,0,6.0 117684,4876,-1,,,,0.0,MS1_match,FWKBQAVMKVZEOT-STCFVSJZSA-N,"InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1,C24H32O10,pos_1_1proton1ammonium,480.1995472239999,FWKBQAVMKVZEOT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Fedia cornucopiae,945863.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Fedia'],['Fedia cornucopiae'],6,0,6.0 117685,4876,-1,,,,0.0,MS1_match,FWKBQAVMKVZEOT-STCFVSJZSA-N,"InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1,C24H32O10,pos_1_1proton1ammonium,480.1995472239999,FWKBQAVMKVZEOT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valerianella dentata,476255.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valerianella'],['Valerianella dentata'],6,0,6.0 117686,4876,-1,,,,0.0,MS1_match,FWKBQAVMKVZEOT-STCFVSJZSA-N,"InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1,C24H32O10,pos_1_1proton1ammonium,480.1995472239999,FWKBQAVMKVZEOT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 117687,4876,-1,,,,0.0,MS1_match,FWKBQAVMKVZEOT-STCFVSJZSA-N,"InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1,C24H32O10,pos_1_1proton1ammonium,480.1995472239999,FWKBQAVMKVZEOT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valerianella locusta,459098.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valerianella'],['Valerianella locusta'],6,0,6.0 117688,4876,-1,,,,0.0,MS1_match,FWKBQAVMKVZEOT-STCFVSJZSA-N,"InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1,C24H32O10,pos_1_1proton1ammonium,480.1995472239999,FWKBQAVMKVZEOT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valerianella coronata,445620.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valerianella'],['Valerianella coronata'],6,0,6.0 117689,4876,-1,,,,0.0,MS1_match,FWKBQAVMKVZEOT-STCFVSJZSA-N,"InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1,C24H32O10,pos_1_1proton1ammonium,480.1995472239999,FWKBQAVMKVZEOT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,0,6.0 117690,4876,-1,,,,0.0,MS1_match,FWKBQAVMKVZEOT-STCFVSJZSA-N,"InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1,C24H32O10,pos_1_1proton1ammonium,480.1995472239999,FWKBQAVMKVZEOT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana sambucifolia,746279.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana sambucifolia'],6,0,6.0 117691,4876,-1,,,,0.0,MS1_match,FWKBQAVMKVZEOT-IRNZINHNSA-N,"InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18?,21-,22?,24-/m1/s1",CC(=O)OCC1=COC(OC(=O)CC(C)C)[C@H]2C1=CC(OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1,C24H32O10,pos_1_1proton1ammonium,480.199547224,FWKBQAVMKVZEOT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Nardostachys jatamansi,24101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Nardostachys'],['Nardostachys jatamansi'],6,0,6.0 117692,4876,-1,,,,0.0,MS1_match,FWKBQAVMKVZEOT-STCFVSJZSA-N,"InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1,C24H32O10,pos_1_1proton1ammonium,480.1995472239999,FWKBQAVMKVZEOT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Centranthus macrosiphon,231861.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Centranthus'],['Centranthus macrosiphon'],6,0,6.0 117693,4876,-1,,,,0.0,MS1_match,FWKBQAVMKVZEOT-STCFVSJZSA-N,"InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1,C24H32O10,pos_1_1proton1ammonium,480.1995472239999,FWKBQAVMKVZEOT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana pseudofficinalis,245963.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana pseudofficinalis'],6,0,6.0 117694,4876,-1,,,,0.0,MS1_match,FWKBQAVMKVZEOT-STCFVSJZSA-N,"InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1,C24H32O10,pos_1_1proton1ammonium,480.1995472239999,FWKBQAVMKVZEOT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plectritis congesta,830567.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Plectritis'],['Plectritis congesta'],6,0,6.0 117695,4876,-1,,,,0.0,MS1_match,FWKBQAVMKVZEOT-STCFVSJZSA-N,"InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1,C24H32O10,pos_1_1proton1ammonium,480.1995472239999,FWKBQAVMKVZEOT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plectritis macrocera,945858.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Plectritis'],['Plectritis macrocera'],6,0,6.0 117696,4876,-1,,,,0.0,MS1_match,FWKBQAVMKVZEOT-STCFVSJZSA-N,"InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1,C24H32O10,pos_1_1proton1ammonium,480.1995472239999,FWKBQAVMKVZEOT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana sitchensis,21459.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana sitchensis'],6,0,6.0 117697,4876,-1,,,,0.0,MS1_match,FWKBQAVMKVZEOT-STCFVSJZSA-N,"InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1,C24H32O10,pos_1_1proton1ammonium,480.1995472239999,FWKBQAVMKVZEOT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana microphylla,21453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana microphylla'],6,0,6.0 117698,4876,-1,,,,0.0,MS1_match,FWKBQAVMKVZEOT-STCFVSJZSA-N,"InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1,C24H32O10,pos_1_1proton1ammonium,480.1995472239999,FWKBQAVMKVZEOT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana micropterina,6061682.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana micropterina'],6,0,6.0 117699,4876,-1,,,,0.0,MS1_match,FWKBQAVMKVZEOT-STCFVSJZSA-N,"InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1,C24H32O10,pos_1_1proton1ammonium,480.1995472239999,FWKBQAVMKVZEOT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana rossica,6061718.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana rossica'],6,0,6.0 117700,4876,-1,,,,0.0,MS1_match,VSUJAXGURPSNJL-UHFFFAOYSA-N,"InChI=1S/C24H32O10/c1-12(2)7-19(27)33-18-8-17-16(9-29-14(5)25)10-30-23(20(17)24(18)11-31-24)34-22(28)21(13(3)4)32-15(6)26/h8,10,12-13,18,20-21,23H,7,9,11H2,1-6H3",CC(=O)OCC1=COC(OC(=O)C(OC(C)=O)C(C)C)C2C1=CC(OC(=O)CC(C)C)C21CO1,C24H32O10,pos_1_1proton1ammonium,480.199547224,VSUJAXGURPSNJL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,0,6.0 117648,4875,-1,,,,0.4054878,ISDB,MLBALSMBMWNBCE-KVZAPANVSA-N,"InChI=1S/C17H23NO7/c1-9-15(20)24-10(2)17(9,22)16(21)23-8-12-4-6-18-7-5-13(14(12)18)25-11(3)19/h4,9-10,13-14,22H,5-8H2,1-3H3/t9-,10-,13+,14+,17+/m0/s1",CC(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@]3(O)[C@H](C)OC(=O)[C@@H]3C)[C@H]12,C17H23NO7,,353.147452076,MLBALSMBMWNBCE,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Hackelia velutina,3869452.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Rochelieae'],['Hackelia'],['Hackelia velutina'],4,0,5.621951222419739 117557,4874,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.60123706,ISDB,XFSSKYLJQBBIKJ-UHFFFAOYSA-N,"InChI=1S/C11H12O4/c1-7(2)5-11(14)15-10-6-8(12)3-4-9(10)13/h3-6,12-13H,1-2H3",CC(C)=CC(=O)Oc1cc(O)ccc1O,C11H12O4,,208.073558864,XFSSKYLJQBBIKJ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Calea jamaicensis,431707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Neurolaeneae'],['Calea'],['Calea jamaicensis'],4,3,7.9049482345581055 117558,4874,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.60123706,ISDB,XFSSKYLJQBBIKJ-UHFFFAOYSA-N,"InChI=1S/C11H12O4/c1-7(2)5-11(14)15-10-6-8(12)3-4-9(10)13/h3-6,12-13H,1-2H3",CC(C)=CC(=O)Oc1cc(O)ccc1O,C11H12O4,,208.073558864,XFSSKYLJQBBIKJ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Calea prunifolia,7606947.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Neurolaeneae'],['Calea'],['Calea prunifolia'],4,3,7.9049482345581055 117485,4872,79,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.36100006,ISDB,XZHWXGQZQLTSGY-YPMLDQLKSA-N,"InChI=1S/C18H20O5/c1-10-12-8-16(21-3)17(22-4)9-15(12)23-18(10)11-5-6-14(20-2)13(19)7-11/h5-10,18-19H,1-4H3/t10-,18-/m0/s1",COc1ccc([C@H]2Oc3cc(OC)c(OC)cc3[C@@H]2C)cc1O,C18H20O5,,316.13107374,XZHWXGQZQLTSGY,Shikimates and Phenylpropanoids,Lignans,Neolignans,Pterocarpus santalinus,834137.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Dalbergieae'],['Pterocarpus'],['Pterocarpus santalinus'],4,3,6.944000244140625 117471,4870,-1,,,,0.51332873,ISDB,,,,,,,AHIHQZAXIJEHNI,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.0533149242401123 117470,4868,145,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.2255192,ISDB,LANWWIQLMZOPKM-FPYGCLRLSA-N,"InChI=1S/C16H21NO5/c1-11(19)3-8-15(20)14(9-16(21)22-2)17-13-6-4-12(10-18)5-7-13/h3-8,10-11,14-15,17,19-20H,9H2,1-2H3/b8-3+",COC(=O)CC(Nc1ccc(C=O)cc1)C(O)/C=C/C(C)O,C16H21NO5,,307.141972772,LANWWIQLMZOPKM,,,,Streptomyces viridochromogenes,676476.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Streptomyces viridochromogenes'],0,0,0.902076780796051 117458,4867,93,Alkaloids,Tryptophan alkaloids,Betalain alkaloids,0.0,MS1_match,SBLZVJIHPWRSQQ-UHFFFAOYSA-N,"InChI=1S/C20H24O6/c1-24-17-10-13(5-6-16(17)23)19-15(11-22)14-8-12(4-3-7-21)9-18(25-2)20(14)26-19/h5-6,8-10,15,19,21-23H,3-4,7,11H2,1-2H3",COc1cc(C2Oc3c(OC)cc(CCCO)cc3C2CO)ccc1O,C20H24O6,pos_1_1proton1ammonium,360.15728848799995,SBLZVJIHPWRSQQ,Shikimates and Phenylpropanoids,Lignans,Neolignans,Clematis delavayi,72769.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis delavayi'],8,0,8.0 117459,4867,93,Alkaloids,Tryptophan alkaloids,Betalain alkaloids,0.0,MS1_match,SBLZVJIHPWRSQQ-UHFFFAOYSA-N,"InChI=1S/C20H24O6/c1-24-17-10-13(5-6-16(17)23)19-15(11-22)14-8-12(4-3-7-21)9-18(25-2)20(14)26-19/h5-6,8-10,15,19,21-23H,3-4,7,11H2,1-2H3",COc1cc(C2Oc3c(OC)cc(CCCO)cc3C2CO)ccc1O,C20H24O6,pos_1_1proton1ammonium,360.15728848799995,SBLZVJIHPWRSQQ,Shikimates and Phenylpropanoids,Lignans,Neolignans,Clematis delavayi,72769.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis delavayi'],8,0,8.0 117454,4866,-1,,,,0.0,MS1_match,SRSSHSQCHFGYCO-ACHIHNKUSA-N,"InChI=1S/C38H44N2O6/c1-39-16-14-27-21-36(44-5)37(45-6)23-30(27)31(39)17-24-7-10-28(11-8-24)46-38-19-25(9-12-34(38)42-3)18-32-29-22-33(41)35(43-4)20-26(29)13-15-40(32)2/h7-12,19-23,31-32,41H,13-18H2,1-6H3/t31-,32-/m0/s1",COc1cc2c(cc1O)[C@H](Cc1ccc(OC)c(Oc3ccc(C[C@H]4c5cc(OC)c(OC)cc5CCN4C)cc3)c1)N(C)CC2,C38H44N2O6,pos_2_1proton1sodium,624.319937128,SRSSHSQCHFGYCO,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Thalictrum revolutum,421843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum revolutum'],6,0,6.0 117455,4866,-1,,,,0.0,MS1_match,SRSSHSQCHFGYCO-ACHIHNKUSA-N,"InChI=1S/C38H44N2O6/c1-39-16-14-27-21-36(44-5)37(45-6)23-30(27)31(39)17-24-7-10-28(11-8-24)46-38-19-25(9-12-34(38)42-3)18-32-29-22-33(41)35(43-4)20-26(29)13-15-40(32)2/h7-12,19-23,31-32,41H,13-18H2,1-6H3/t31-,32-/m0/s1",COc1cc2c(cc1O)[C@H](Cc1ccc(OC)c(Oc3ccc(C[C@H]4c5cc(OC)c(OC)cc5CCN4C)cc3)c1)N(C)CC2,C38H44N2O6,pos_2_1proton1sodium,624.319937128,SRSSHSQCHFGYCO,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Thalictrum dasycarpum,421841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum dasycarpum'],6,0,6.0 117456,4866,-1,,,,0.0,MS1_match,SRSSHSQCHFGYCO-ACHIHNKUSA-N,"InChI=1S/C38H44N2O6/c1-39-16-14-27-21-36(44-5)37(45-6)23-30(27)31(39)17-24-7-10-28(11-8-24)46-38-19-25(9-12-34(38)42-3)18-32-29-22-33(41)35(43-4)20-26(29)13-15-40(32)2/h7-12,19-23,31-32,41H,13-18H2,1-6H3/t31-,32-/m0/s1",COc1cc2c(cc1O)[C@H](Cc1ccc(OC)c(Oc3ccc(C[C@H]4c5cc(OC)c(OC)cc5CCN4C)cc3)c1)N(C)CC2,C38H44N2O6,pos_2_1proton1sodium,624.319937128,SRSSHSQCHFGYCO,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Thalictrum lucidum,977702.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum lucidum'],6,0,6.0 117457,4866,-1,,,,0.0,MS1_match,SRSSHSQCHFGYCO-ACHIHNKUSA-N,"InChI=1S/C38H44N2O6/c1-39-16-14-27-21-36(44-5)37(45-6)23-30(27)31(39)17-24-7-10-28(11-8-24)46-38-19-25(9-12-34(38)42-3)18-32-29-22-33(41)35(43-4)20-26(29)13-15-40(32)2/h7-12,19-23,31-32,41H,13-18H2,1-6H3/t31-,32-/m0/s1",COc1cc2c(cc1O)[C@H](Cc1ccc(OC)c(Oc3ccc(C[C@H]4c5cc(OC)c(OC)cc5CCN4C)cc3)c1)N(C)CC2,C38H44N2O6,pos_2_1proton1sodium,624.319937128,SRSSHSQCHFGYCO,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Thalictrum rugosum,421841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum dasycarpum'],6,0,6.0 117442,4865,-1,,,,0.0,MS1_match,DKGYTSKPMLWLEI-FIZOKRMRSA-N,"InChI=1S/C10H14O4/c1-5-2-3-6-7(9(11)12)4-14-10(13)8(5)6/h4-6,8,10,13H,2-3H2,1H3,(H,11,12)/t5-,6+,8+,10+/m0/s1",C[C@H]1CC[C@@H]2C(C(=O)O)=CO[C@@H](O)[C@@H]21,C10H14O4,pos_1_1proton1acetonitrile,198.089208928,DKGYTSKPMLWLEI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],8,0,8.0 117421,4859,-1,,,,0.0,MS1_match,IBWYIXZIEIPGJL-UHFFFAOYSA-N,"InChI=1S/C10H14O3/c1-7-5-13-10(6-12)8(4-11)2-3-9(7)10/h2,9,11-12H,1,3-6H2",C=C1COC2(CO)C(CO)=CCC12,C10H14O3,pos_2MNa,182.094294308,IBWYIXZIEIPGJL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,0,6.0 117422,4859,-1,,,,0.0,MS1_match,ULRBKGCIGBUVLG-UHFFFAOYSA-N,"InChI=1S/C10H14O3/c1-5-6-3-8(11)10(2)7(6)4-12-9(5)13-10/h6-9,11H,1,3-4H2,2H3",C=C1C2OCC3C1CC(O)C3(C)O2,C10H14O3,pos_2MNa,182.094294308,ULRBKGCIGBUVLG,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,0,6.0 117419,4858,217,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.78733665,ISDB,DPTUTXWBBUARQB-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-2-6-4-5-8(11)12-9(6)7/h1-5,10H",O=c1ccc2cccc(O)c2o1,C9H6O3,,162.031694052,DPTUTXWBBUARQB,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Murraya paniculata,81668.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Murraya'],['Murraya paniculata'],4,3,8.649346590042114 117420,4858,217,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.78733665,ISDB,DPTUTXWBBUARQB-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-2-6-4-5-8(11)12-9(6)7/h1-5,10H",O=c1ccc2cccc(O)c2o1,C9H6O3,,162.031694052,DPTUTXWBBUARQB,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Murraya exotica,755734.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Murraya'],['Murraya exotica'],4,3,8.649346590042114 117415,4853,-1,,,,0.0,MS1_match,GJOKUHOJKKOIEW-UHFFFAOYSA-N,"InChI=1S/C12H14O6/c1-7(4-13)12(17)3-11(18-8(2)16)9(5-14)10(12)6-15/h4,6,11,14,17H,1,3,5H2,2H3",C=C(C=O)C1(O)CC(OC(C)=O)C(CO)=C1C=O,C12H14O6,pos_1_1proton1acetonitrile,254.079038168,GJOKUHOJKKOIEW,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,0,6.0 117409,4851,30,Alkaloids,Tyrosine alkaloids,Cinnamic acid amides,0.7634019,ISDB,FNYIPYRLIHJQLI-INIZCTEOSA-N,"InChI=1S/C18H19NO2/c1-21-18-9-13-6-7-19-11-14-5-3-2-4-12(14)8-16(19)15(13)10-17(18)20/h2-5,9-10,16,20H,6-8,11H2,1H3/t16-/m0/s1",COc1cc2c(cc1O)[C@@H]1Cc3ccccc3CN1CC2,C18H19NO2,,281.141578848,FNYIPYRLIHJQLI,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Argemone mexicana,408476.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Argemone'],['Argemone mexicana'],5,2,9.053607702255249 117406,4849,122,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Iridoids monoterpenoids,0.0,MS1_match,FJKROLUGYXJWQN-UHFFFAOYSA-N,"InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)",O=C(O)c1ccc(O)cc1,C7H6O3,pos_2MHNH3,138.031694052,FJKROLUGYXJWQN,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Lonicera microphylla,980075.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera microphylla'],7,1,7.5 117405,4847,1450,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.22965382,ISDB,IYMQKDCNKPOJCA-UHFFFAOYSA-N,"InChI=1S/C16H21NO6/c1-8-15(21-2)13(19)14(20)16(22-8)23-10-5-3-4-9-6-7-11(18)17-12(9)10/h3-5,8,13-16,19-20H,6-7H2,1-2H3,(H,17,18)",COC1C(C)OC(Oc2cccc3c2NC(=O)CC3)C(O)C1O,C16H21NO6,,323.136887392,IYMQKDCNKPOJCA,,,,Actinomadura,305623.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptosporangiales'],['Thermomonosporaceae'],['Unknown'],['Actinomadura'],['Unknown'],0,0,0.9186152815818787 117404,4846,-1,,,,0.0,MS1_match,TZTWOBUHCLWLNK-UHFFFAOYSA-N,"InChI=1S/C12H10O5/c13-5-9-1-3-11(16-9)7-15-8-12-4-2-10(6-14)17-12/h1-6H,7-8H2",O=Cc1ccc(COCc2ccc(C=O)o2)o1,C12H10O5,pos_1_1proton1ammonium,234.05282342,TZTWOBUHCLWLNK,Polyketides,Cyclic polyketides,Furans,Lonicera bournei,5746380.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera bournei'],7,0,7.0 117402,4844,551,Shikimates and Phenylpropanoids,Monoterpenoids,Simple phenolic acids,0.0,MS1_match,HRGUSFBJBOKSML-UHFFFAOYSA-N,"InChI=1S/C17H14O7/c1-22-14-3-8(4-15(23-2)17(14)21)12-7-11(20)16-10(19)5-9(18)6-13(16)24-12/h3-7,18-19,21H,1-2H3",COc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc(OC)c1O,C17H14O7,pos_1_1proton1ammonium,330.073952788,HRGUSFBJBOKSML,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Valeriana laxiflora,844983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana laxiflora'],6,1,6.5 117401,4842,-1,,,,0.23032868,ISDB,JVJAKTQDSOUGCF-BFPXCNAZSA-N,"InChI=1S/C16H24ClNO5/c1-15(22)11(8-9-17)13(20)18-16(15,14(21)23-2)12(19)10-6-4-3-5-7-10/h4,6,10-12,19,22H,3,5,7-9H2,1-2H3,(H,18,20)/t10-,11+,12+,15+,16+/m1/s1",COC(=O)[C@]1([C@@H](O)[C@@H]2C=CCCC2)NC(=O)[C@H](CCCl)[C@]1(C)O,C16H24ClNO5,,345.134300548,JVJAKTQDSOUGCF,Amino acids and Peptides,,,Salinispora tropica,530014.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Micromonosporales'],['Micromonosporaceae'],['Unknown'],['Salinispora'],['Salinispora tropica'],0,0,0.9213147163391113 117377,4839,-1,,,,0.66538984,ISDB,XDTYFVALIAILOT-UHFFFAOYSA-N,"InChI=1S/C10H13NO3/c1-6-8(7(2)12)4-11-5-9(6)10(13)14-3/h4-5,7,12H,1-3H3",COC(=O)c1cncc(C(C)O)c1C,C10H13NO3,,195.089543276,XDTYFVALIAILOT,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Strychnos spinosa,164458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Loganiaceae'],['Unknown'],['Strychnos'],['Strychnos spinosa'],4,0,6.661559343338013 117378,4839,-1,,,,0.66538984,ISDB,XDTYFVALIAILOT-UHFFFAOYSA-N,"InChI=1S/C10H13NO3/c1-6-8(7(2)12)4-11-5-9(6)10(13)14-3/h4-5,7,12H,1-3H3",COC(=O)c1cncc(C(C)O)c1C,C10H13NO3,,195.089543276,XDTYFVALIAILOT,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Strychnos cocculoides,426475.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Loganiaceae'],['Unknown'],['Strychnos'],['Strychnos cocculoides'],4,0,6.661559343338013 117274,4838,30,Alkaloids,Tyrosine alkaloids,Cinnamic acid amides,0.762475,ISDB,VXXVFIKKBBVGIR-HNNXBMFYSA-N,"InChI=1S/C17H19NO3/c1-18-9-12-7-16(20)17(21-2)8-14(12)15(10-18)11-3-5-13(19)6-4-11/h3-8,15,19-20H,9-10H2,1-2H3/t15-/m0/s1",COc1cc2c(cc1O)CN(C)C[C@H]2c1ccc(O)cc1,C17H19NO3,,285.136493468,VXXVFIKKBBVGIR,Alkaloids,Tyrosine alkaloids,Tetrahydroisoquinoline alkaloids,Crinum lugardiae,439683.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Unknown'],['Crinum'],['Crinum lugardiae'],4,2,8.04990005493164 117275,4838,30,Alkaloids,Tyrosine alkaloids,Cinnamic acid amides,0.762475,ISDB,VXXVFIKKBBVGIR-UHFFFAOYSA-N,"InChI=1S/C17H19NO3/c1-18-9-12-7-16(20)17(21-2)8-14(12)15(10-18)11-3-5-13(19)6-4-11/h3-8,15,19-20H,9-10H2,1-2H3",COc1cc2c(cc1O)CN(C)CC2c1ccc(O)cc1,C17H19NO3,,285.136493468,VXXVFIKKBBVGIR,Alkaloids,Tyrosine alkaloids,Tetrahydroisoquinoline alkaloids,Tetrastigma angustifolia,6045299.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Vitales'],['Vitaceae'],['Cayratieae'],['Tetrastigma'],['Tetrastigma angustifolia'],4,2,8.04990005493164 117276,4838,30,Alkaloids,Tyrosine alkaloids,Cinnamic acid amides,0.762475,ISDB,VXXVFIKKBBVGIR-UHFFFAOYSA-N,"InChI=1S/C17H19NO3/c1-18-9-12-7-16(20)17(21-2)8-14(12)15(10-18)11-3-5-13(19)6-4-11/h3-8,15,19-20H,9-10H2,1-2H3",COc1cc2c(cc1O)CN(C)CC2c1ccc(O)cc1,C17H19NO3,,285.136493468,VXXVFIKKBBVGIR,Alkaloids,Tyrosine alkaloids,Tetrahydroisoquinoline alkaloids,Causonis trifolia,438626.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Vitales'],['Vitaceae'],['Cayratieae'],['Causonis'],['Causonis trifolia'],4,2,8.04990005493164 117277,4838,30,Alkaloids,Tyrosine alkaloids,Cinnamic acid amides,0.762475,ISDB,VXXVFIKKBBVGIR-HNNXBMFYSA-N,"InChI=1S/C17H19NO3/c1-18-9-12-7-16(20)17(21-2)8-14(12)15(10-18)11-3-5-13(19)6-4-11/h3-8,15,19-20H,9-10H2,1-2H3/t15-/m0/s1",COc1cc2c(cc1O)CN(C)C[C@H]2c1ccc(O)cc1,C17H19NO3,,285.136493468,VXXVFIKKBBVGIR,Alkaloids,Tyrosine alkaloids,Tetrahydroisoquinoline alkaloids,Narcissus angustifolius,3994344.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Unknown'],['Narcissus'],['Narcissus tenuior'],4,2,8.04990005493164 117278,4838,30,Alkaloids,Tyrosine alkaloids,Cinnamic acid amides,0.762475,ISDB,VXXVFIKKBBVGIR-HNNXBMFYSA-N,"InChI=1S/C17H19NO3/c1-18-9-12-7-16(20)17(21-2)8-14(12)15(10-18)11-3-5-13(19)6-4-11/h3-8,15,19-20H,9-10H2,1-2H3/t15-/m0/s1",COc1cc2c(cc1O)CN(C)C[C@H]2c1ccc(O)cc1,C17H19NO3,,285.136493468,VXXVFIKKBBVGIR,Alkaloids,Tyrosine alkaloids,Tetrahydroisoquinoline alkaloids,Galanthus elwesii,1090686.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Unknown'],['Galanthus'],['Galanthus elwesii'],4,2,8.04990005493164 117279,4838,30,Alkaloids,Tyrosine alkaloids,Cinnamic acid amides,0.762475,ISDB,VXXVFIKKBBVGIR-HNNXBMFYSA-N,"InChI=1S/C17H19NO3/c1-18-9-12-7-16(20)17(21-2)8-14(12)15(10-18)11-3-5-13(19)6-4-11/h3-8,15,19-20H,9-10H2,1-2H3/t15-/m0/s1",COc1cc2c(cc1O)CN(C)C[C@H]2c1ccc(O)cc1,C17H19NO3,,285.136493468,VXXVFIKKBBVGIR,Alkaloids,Tyrosine alkaloids,Tetrahydroisoquinoline alkaloids,Leucojum aestivum,779382.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Unknown'],['Leucojum'],['Leucojum aestivum'],4,2,8.04990005493164 117280,4838,30,Alkaloids,Tyrosine alkaloids,Cinnamic acid amides,0.762475,ISDB,VXXVFIKKBBVGIR-HNNXBMFYSA-N,"InChI=1S/C17H19NO3/c1-18-9-12-7-16(20)17(21-2)8-14(12)15(10-18)11-3-5-13(19)6-4-11/h3-8,15,19-20H,9-10H2,1-2H3/t15-/m0/s1",COc1cc2c(cc1O)CN(C)C[C@H]2c1ccc(O)cc1,C17H19NO3,,285.136493468,VXXVFIKKBBVGIR,Alkaloids,Tyrosine alkaloids,Tetrahydroisoquinoline alkaloids,Calostemma purpureum,968852.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Unknown'],['Calostemma'],['Calostemma purpureum'],4,2,8.04990005493164 117281,4838,30,Alkaloids,Tyrosine alkaloids,Cinnamic acid amides,0.762475,ISDB,VXXVFIKKBBVGIR-HNNXBMFYSA-N,"InChI=1S/C17H19NO3/c1-18-9-12-7-16(20)17(21-2)8-14(12)15(10-18)11-3-5-13(19)6-4-11/h3-8,15,19-20H,9-10H2,1-2H3/t15-/m0/s1",COc1cc2c(cc1O)CN(C)C[C@H]2c1ccc(O)cc1,C17H19NO3,,285.136493468,VXXVFIKKBBVGIR,Alkaloids,Tyrosine alkaloids,Tetrahydroisoquinoline alkaloids,Crinum macowanii,826238.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Unknown'],['Crinum'],['Crinum macowanii'],4,2,8.04990005493164 117282,4838,30,Alkaloids,Tyrosine alkaloids,Cinnamic acid amides,0.762475,ISDB,VXXVFIKKBBVGIR-UHFFFAOYSA-N,"InChI=1S/C17H19NO3/c1-18-9-12-7-16(20)17(21-2)8-14(12)15(10-18)11-3-5-13(19)6-4-11/h3-8,15,19-20H,9-10H2,1-2H3",COc1cc2c(cc1O)CN(C)CC2c1ccc(O)cc1,C17H19NO3,,285.136493468,VXXVFIKKBBVGIR,Alkaloids,Tyrosine alkaloids,Tetrahydroisoquinoline alkaloids,Crinum asiaticum,34645.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Unknown'],['Crinum'],['Crinum asiaticum'],4,2,8.04990005493164 117283,4838,30,Alkaloids,Tyrosine alkaloids,Cinnamic acid amides,0.762475,ISDB,VXXVFIKKBBVGIR-UHFFFAOYSA-N,"InChI=1S/C17H19NO3/c1-18-9-12-7-16(20)17(21-2)8-14(12)15(10-18)11-3-5-13(19)6-4-11/h3-8,15,19-20H,9-10H2,1-2H3",COc1cc2c(cc1O)CN(C)CC2c1ccc(O)cc1,C17H19NO3,,285.136493468,VXXVFIKKBBVGIR,Alkaloids,Tyrosine alkaloids,Tetrahydroisoquinoline alkaloids,Crinum moorei,564146.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Unknown'],['Crinum'],['Crinum moorei'],4,2,8.04990005493164 117284,4838,30,Alkaloids,Tyrosine alkaloids,Cinnamic acid amides,0.762475,ISDB,VXXVFIKKBBVGIR-UHFFFAOYSA-N,"InChI=1S/C17H19NO3/c1-18-9-12-7-16(20)17(21-2)8-14(12)15(10-18)11-3-5-13(19)6-4-11/h3-8,15,19-20H,9-10H2,1-2H3",COc1cc2c(cc1O)CN(C)CC2c1ccc(O)cc1,C17H19NO3,,285.136493468,VXXVFIKKBBVGIR,Alkaloids,Tyrosine alkaloids,Tetrahydroisoquinoline alkaloids,Crinum bulbispermum,639815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Unknown'],['Crinum'],['Crinum bulbispermum'],4,2,8.04990005493164 117285,4838,30,Alkaloids,Tyrosine alkaloids,Cinnamic acid amides,0.762475,ISDB,VXXVFIKKBBVGIR-HNNXBMFYSA-N,"InChI=1S/C17H19NO3/c1-18-9-12-7-16(20)17(21-2)8-14(12)15(10-18)11-3-5-13(19)6-4-11/h3-8,15,19-20H,9-10H2,1-2H3/t15-/m0/s1",COc1cc2c(cc1O)CN(C)C[C@H]2c1ccc(O)cc1,C17H19NO3,,285.136493468,VXXVFIKKBBVGIR,Alkaloids,Tyrosine alkaloids,Tetrahydroisoquinoline alkaloids,Brunsvigia radulosa,827218.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Unknown'],['Brunsvigia'],['Brunsvigia radulosa'],4,2,8.04990005493164 117286,4838,30,Alkaloids,Tyrosine alkaloids,Cinnamic acid amides,0.762475,ISDB,VXXVFIKKBBVGIR-UHFFFAOYSA-N,"InChI=1S/C17H19NO3/c1-18-9-12-7-16(20)17(21-2)8-14(12)15(10-18)11-3-5-13(19)6-4-11/h3-8,15,19-20H,9-10H2,1-2H3",COc1cc2c(cc1O)CN(C)CC2c1ccc(O)cc1,C17H19NO3,,285.136493468,VXXVFIKKBBVGIR,Alkaloids,Tyrosine alkaloids,Tetrahydroisoquinoline alkaloids,Crinum latifolium,118200.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Unknown'],['Crinum'],['Crinum latifolium'],4,2,8.04990005493164 117287,4838,30,Alkaloids,Tyrosine alkaloids,Cinnamic acid amides,0.762475,ISDB,VXXVFIKKBBVGIR-UHFFFAOYSA-N,"InChI=1S/C17H19NO3/c1-18-9-12-7-16(20)17(21-2)8-14(12)15(10-18)11-3-5-13(19)6-4-11/h3-8,15,19-20H,9-10H2,1-2H3",COc1cc2c(cc1O)CN(C)CC2c1ccc(O)cc1,C17H19NO3,,285.136493468,VXXVFIKKBBVGIR,Alkaloids,Tyrosine alkaloids,Tetrahydroisoquinoline alkaloids,Lycoris guangxiensis,3994688.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Unknown'],['Lycoris'],['Lycoris guangxiensis'],4,2,8.04990005493164 117288,4838,30,Alkaloids,Tyrosine alkaloids,Cinnamic acid amides,0.762475,ISDB,VXXVFIKKBBVGIR-UHFFFAOYSA-N,"InChI=1S/C17H19NO3/c1-18-9-12-7-16(20)17(21-2)8-14(12)15(10-18)11-3-5-13(19)6-4-11/h3-8,15,19-20H,9-10H2,1-2H3",COc1cc2c(cc1O)CN(C)CC2c1ccc(O)cc1,C17H19NO3,,285.136493468,VXXVFIKKBBVGIR,Alkaloids,Tyrosine alkaloids,Tetrahydroisoquinoline alkaloids,Nerine bowdenii,695840.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Unknown'],['Nerine'],['Nerine bowdenii'],4,2,8.04990005493164 117254,4837,145,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.2825981,ISDB,SACPYSHBQFRBLR-AWEZNQCLSA-N,"InChI=1S/C14H15NO4/c1-16-10-5-4-8-11(13(10)18-3)15-14-9(6-7-19-14)12(8)17-2/h4-7,14-15H,1-3H3/t14-/m0/s1",COC1=C2C=CO[C@@H]2Nc2c1ccc(OC)c2OC,C14H15NO4,,261.10010796,SACPYSHBQFRBLR,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,Melicope triphylla,710074.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Melicope'],['Melicope triphylla'],4,1,5.63039243221283 117251,4836,-1,,,,0.31665325,ISDB,AWUNHMGGXOAUQB-UHFFFAOYSA-N,"InChI=1S/C15H16N2O6/c18-12(15(22)23)6-13(19)17-11(14(20)21)5-8-7-16-10-4-2-1-3-9(8)10/h1-4,7,11-12,16,18H,5-6H2,(H,17,19)(H,20,21)(H,22,23)",O=C(CC(O)C(=O)O)NC(Cc1c[nH]c2ccccc12)C(=O)O,C15H16N2O6,,320.100836232,AWUNHMGGXOAUQB,Amino acids and Peptides,Small peptides,Dipeptides,Glycine max,681762.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Glycine max'],4,0,5.266613006591797 117250,4835,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,ATFJUGCMEQBNLH-UHFFFAOYSA-N,"InChI=1S/C10H14O5/c1-10-6(12)2-4-5(3-11)9(15-10)14-8(13)7(4)10/h4-7,9,11-12H,2-3H2,1H3",CC12OC3OC(=O)C1C(CC2O)C3CO,C10H14O5,pos_2MHCH3CN,214.084123548,ATFJUGCMEQBNLH,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,2,7.0 117244,4834,122,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Iridoids monoterpenoids,0.0,MS1_match,DRAPQDCEBKBPQE-ACFZRETJSA-N,"InChI=1S/C26H32O12/c1-33-17-7-12(3-5-15(17)28)23-14-10-35-24(13-4-6-16(29)18(8-13)34-2)26(14,11-36-23)38-25-22(32)21(31)20(30)19(9-27)37-25/h3-8,14,19-25,27-32H,9-11H2,1-2H3/t14-,19-,20-,21+,22-,23-,24-,25+,26-/m1/s1",COc1cc([C@H]2OC[C@]3(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](c4ccc(O)c(OC)c4)OC[C@H]23)ccc1O,C26H32O12,pos_2_2proton2acetonitrile,536.1893764639999,DRAPQDCEBKBPQE,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,1,6.5 117245,4834,122,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Iridoids monoterpenoids,0.0,MS1_match,ORRYWOBRSQRASU-UHFFFAOYSA-N,"InChI=1S/C26H32O12/c1-33-17-7-12(3-5-15(17)28)23-14-10-35-24(26(14,32)11-36-23)13-4-6-16(18(8-13)34-2)37-25-22(31)21(30)20(29)19(9-27)38-25/h3-8,14,19-25,27-32H,9-11H2,1-2H3",COc1cc(C2OCC3(O)C(c4ccc(OC5OC(CO)C(O)C(O)C5O)c(OC)c4)OCC23)ccc1O,C26H32O12,pos_2_2proton2acetonitrile,536.189376464,ORRYWOBRSQRASU,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,1,6.5 117246,4834,122,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Iridoids monoterpenoids,0.0,MS1_match,ORRYWOBRSQRASU-UHFFFAOYSA-N,"InChI=1S/C26H32O12/c1-33-17-7-12(3-5-15(17)28)23-14-10-35-24(26(14,32)11-36-23)13-4-6-16(18(8-13)34-2)37-25-22(31)21(30)20(29)19(9-27)38-25/h3-8,14,19-25,27-32H,9-11H2,1-2H3",COc1cc(C2OCC3(O)C(c4ccc(OC5OC(CO)C(O)C(O)C5O)c(OC)c4)OCC23)ccc1O,C26H32O12,pos_2_2proton2acetonitrile,536.189376464,ORRYWOBRSQRASU,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,1,6.5 117247,4834,122,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Iridoids monoterpenoids,0.0,MS1_match,GQLQVPZSTWXDBQ-ZOKOZUFBSA-N,"InChI=1S/C26H32O12/c1-33-17-8-13(3-5-15(17)28)24-26(32)11-36-23(14(26)10-35-24)12-4-6-16(18(7-12)34-2)37-25-22(31)21(30)20(29)19(9-27)38-25/h3-8,14,19-25,27-32H,9-11H2,1-2H3/t14-,19-,20-,21+,22-,23-,24-,25-,26-/m1/s1",COc1cc([C@H]2OC[C@@H]3[C@@H](c4ccc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)c(OC)c4)OC[C@]23O)ccc1O,C26H32O12,pos_2_2proton2acetonitrile,536.1893764639998,GQLQVPZSTWXDBQ,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Valeriana prionophylla,526653.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana prionophylla'],6,1,6.5 117248,4834,122,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Iridoids monoterpenoids,0.0,MS1_match,KPZWNZOLVDRTMM-YRDWWIAGSA-N,"InChI=1S/C26H32O12/c1-33-18-8-13(3-5-16(18)28)23-26(32)11-36-22(15(26)10-35-23)12-4-6-17(19(7-12)34-2)37-25-14(9-27)20(29)21(30)24(31)38-25/h3-8,14-15,20-25,27-32H,9-11H2,1-2H3/t14-,15-,20-,21+,22-,23-,24+,25+,26-/m1/s1",COc1cc([C@H]2OC[C@@H]3[C@@H](c4ccc(O[C@H]5O[C@H](O)[C@@H](O)[C@H](O)[C@H]5CO)c(OC)c4)OC[C@]23O)ccc1O,C26H32O12,pos_2_2proton2acetonitrile,536.189376464,KPZWNZOLVDRTMM,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Valeriana prionophylla,526653.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana prionophylla'],6,1,6.5 117240,4832,169,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,QIUOVIRIFZOCLL-UHFFFAOYSA-N,"InChI=1S/C12H10O4/c1-8(14)16-6-10-5-15-7-12-9(4-13)2-3-11(10)12/h2-5,7H,6H2,1H3",CC(=O)OCc1cocc2c(C=O)ccc1-2,C12H10O4,pos_1_1proton1ammonium,218.0579088,QIUOVIRIFZOCLL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,3,7.5 117241,4832,169,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,QIUOVIRIFZOCLL-UHFFFAOYSA-N,"InChI=1S/C12H10O4/c1-8(14)16-6-10-5-15-7-12-9(4-13)2-3-11(10)12/h2-5,7H,6H2,1H3",CC(=O)OCc1cocc2c(C=O)ccc1-2,C12H10O4,pos_1_1proton1ammonium,218.0579088,QIUOVIRIFZOCLL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana edulis,646604.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana edulis'],6,3,7.5 117242,4832,169,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,QIUOVIRIFZOCLL-UHFFFAOYSA-N,"InChI=1S/C12H10O4/c1-8(14)16-6-10-5-15-7-12-9(4-13)2-3-11(10)12/h2-5,7H,6H2,1H3",CC(=O)OCc1cocc2c(C=O)ccc1-2,C12H10O4,pos_1_1proton1ammonium,218.0579088,QIUOVIRIFZOCLL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,3,7.5 117243,4832,169,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,QIUOVIRIFZOCLL-UHFFFAOYSA-N,"InChI=1S/C12H10O4/c1-8(14)16-6-10-5-15-7-12-9(4-13)2-3-11(10)12/h2-5,7H,6H2,1H3",CC(=O)OCc1cocc2c(C=O)ccc1-2,C12H10O4,pos_1_1proton1ammonium,218.0579088,QIUOVIRIFZOCLL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Nardostachys jatamansi,24101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Nardostachys'],['Nardostachys jatamansi'],6,3,7.5 117228,4829,-1,,,,0.21226151,ISDB,XHHOHZPNYFQJKL-QWRGUYRKSA-N,"InChI=1S/C14H18N2O5/c15-10(13(18)19)6-7-12(17)16-11(14(20)21)8-9-4-2-1-3-5-9/h1-5,10-11H,6-8,15H2,(H,16,17)(H,18,19)(H,20,21)/t10-,11-/m0/s1",N[C@@H](CCC(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(=O)O,C14H18N2O5,,294.121571676,XHHOHZPNYFQJKL,Amino acids and Peptides,Small peptides,Dipeptides,Brassica napus,309234.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica napus'],4,0,4.849046051502228 117229,4829,-1,,,,0.21226151,ISDB,XHHOHZPNYFQJKL-QWRGUYRKSA-N,"InChI=1S/C14H18N2O5/c15-10(13(18)19)6-7-12(17)16-11(14(20)21)8-9-4-2-1-3-5-9/h1-5,10-11H,6-8,15H2,(H,16,17)(H,18,19)(H,20,21)/t10-,11-/m0/s1",N[C@@H](CCC(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(=O)O,C14H18N2O5,,294.121571676,XHHOHZPNYFQJKL,Amino acids and Peptides,Small peptides,Dipeptides,Vigna radiata,806245.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Vigna'],['Vigna radiata'],4,0,4.849046051502228 117230,4829,-1,,,,0.21226151,ISDB,XHHOHZPNYFQJKL-QWRGUYRKSA-N,"InChI=1S/C14H18N2O5/c15-10(13(18)19)6-7-12(17)16-11(14(20)21)8-9-4-2-1-3-5-9/h1-5,10-11H,6-8,15H2,(H,16,17)(H,18,19)(H,20,21)/t10-,11-/m0/s1",N[C@@H](CCC(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(=O)O,C14H18N2O5,,294.121571676,XHHOHZPNYFQJKL,Amino acids and Peptides,Small peptides,Dipeptides,Vigna radiata var. radiata,1065946.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Vigna'],['Vigna radiata'],4,0,4.849046051502228 117231,4829,-1,,,,0.21226151,ISDB,XHHOHZPNYFQJKL-QWRGUYRKSA-N,"InChI=1S/C14H18N2O5/c15-10(13(18)19)6-7-12(17)16-11(14(20)21)8-9-4-2-1-3-5-9/h1-5,10-11H,6-8,15H2,(H,16,17)(H,18,19)(H,20,21)/t10-,11-/m0/s1",N[C@@H](CCC(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(=O)O,C14H18N2O5,,294.121571676,XHHOHZPNYFQJKL,Amino acids and Peptides,Small peptides,Dipeptides,Allium cepa,781600.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Allieae'],['Allium'],['Allium cepa'],4,0,4.849046051502228 117232,4829,-1,,,,0.21226151,ISDB,XHHOHZPNYFQJKL-QWRGUYRKSA-N,"InChI=1S/C14H18N2O5/c15-10(13(18)19)6-7-12(17)16-11(14(20)21)8-9-4-2-1-3-5-9/h1-5,10-11H,6-8,15H2,(H,16,17)(H,18,19)(H,20,21)/t10-,11-/m0/s1",N[C@@H](CCC(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(=O)O,C14H18N2O5,,294.121571676,XHHOHZPNYFQJKL,Amino acids and Peptides,Small peptides,Dipeptides,Allium sativum,748370.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Allieae'],['Allium'],['Allium sativum'],4,0,4.849046051502228 117225,4822,1492,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,0.3336905,ISDB,UQTIXOCPRRVPGA-ZDUSSCGKSA-N,"InChI=1S/C14H15NO5/c1-9(17)20-7-13-12-5-10(19-2)6-14(18)11(12)3-4-15(13)8-16/h3-6,8,13,18H,7H2,1-2H3/t13-/m0/s1",COc1cc(O)c2c(c1)[C@H](COC(C)=O)N(C=O)C=C2,C14H15NO5,,277.09502258,UQTIXOCPRRVPGA,Alkaloids,,,Neopetrosia similis,4939026.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Haplosclerida'],['Petrosiidae'],['Unknown'],['Neopetrosia'],['Neopetrosia similis'],1,1,2.8347619771957397 117222,4820,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,ATFJUGCMEQBNLH-UHFFFAOYSA-N,"InChI=1S/C10H14O5/c1-10-6(12)2-4-5(3-11)9(15-10)14-8(13)7(4)10/h4-7,9,11-12H,2-3H2,1H3",CC12OC3OC(=O)C1C(CC2O)C3CO,C10H14O5,pos_2MHCH3CN,214.084123548,ATFJUGCMEQBNLH,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,2,7.0 117208,4819,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,HEYZWPRKKUGDCR-QBXMEVCASA-N,"InChI=1S/C16H22O10/c1-2-7-14(24-6-8-13(21)23-4-3-16(7,8)22)26-15-12(20)11(19)10(18)9(5-17)25-15/h2,6-7,9-12,14-15,17-20,22H,1,3-5H2/t7-,9+,10+,11-,12+,14-,15-,16+/m0/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCC[C@]21O,C16H22O10,pos_1_1proton1ammonium,374.1212969039999,HEYZWPRKKUGDCR,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],8,2,9.0 117209,4819,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,HEYZWPRKKUGDCR-QBXMEVCASA-N,"InChI=1S/C16H22O10/c1-2-7-14(24-6-8-13(21)23-4-3-16(7,8)22)26-15-12(20)11(19)10(18)9(5-17)25-15/h2,6-7,9-12,14-15,17-20,22H,1,3-5H2/t7-,9+,10+,11-,12+,14-,15-,16+/m0/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCC[C@]21O,C16H22O10,pos_1_1proton1ammonium,374.1212969039999,HEYZWPRKKUGDCR,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],8,2,9.0 117210,4819,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,PUEUIRDVQIKCCG-GMHYLCIRSA-N,"InChI=1S/C16H22O10/c1-2-7-8(3-4-17)9(14(22)23)6-24-15(7)26-16-13(21)12(20)11(19)10(5-18)25-16/h2,4,6-8,10-13,15-16,18-21H,1,3,5H2,(H,22,23)/t7?,8?,10-,11-,12+,13-,15+,16+/m1/s1",C=CC1C(CC=O)C(C(=O)O)=CO[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H22O10,pos_1_1proton1ammonium,374.1212969039999,PUEUIRDVQIKCCG,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],8,2,9.0 117211,4819,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,PUEUIRDVQIKCCG-GMHYLCIRSA-N,"InChI=1S/C16H22O10/c1-2-7-8(3-4-17)9(14(22)23)6-24-15(7)26-16-13(21)12(20)11(19)10(5-18)25-16/h2,4,6-8,10-13,15-16,18-21H,1,3,5H2,(H,22,23)/t7?,8?,10-,11-,12+,13-,15+,16+/m1/s1",C=CC1C(CC=O)C(C(=O)O)=CO[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H22O10,pos_1_1proton1ammonium,374.1212969039999,PUEUIRDVQIKCCG,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],8,2,9.0 117204,4818,139,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,LTRLDPJSMLPKMF-YKXWAFRCSA-N,"InChI=1S/C25H40O10/c1-12-9-14(26)10-25(3,4)15(12)6-5-13(2)34-24-23(32)22(31)21(30)18(35-24)11-33-17-8-7-16(27)19(28)20(17)29/h5-6,9,13,15-24,27-32H,7-8,10-11H2,1-4H3/b6-5+/t13-,15+,16+,17-,18-,19+,20+,21-,22+,23-,24-/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@@H](C)O[C@@H]1O[C@H](CO[C@@H]2CC[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C25H40O10,pos_2_1proton1potassium,500.26214748,LTRLDPJSMLPKMF,Terpenoids,Apocarotenoids,Megastigmanes,Lonicera gracilipes,920854.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera gracilipes'],7,3,8.5 116981,4817,88,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.7211522,ISDB,VEZIKIAGFYZTCI-UHFFFAOYSA-N,"InChI=1S/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3",COC(=O)C=Cc1ccc(OC)cc1,C11H12O3,,192.078644244,VEZIKIAGFYZTCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Gmelina asiatica,3883027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Gmelina'],['Gmelina asiatica'],4,3,8.384608745574951 116982,4817,88,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.7211522,ISDB,VEZIKIAGFYZTCI-UHFFFAOYSA-N,"InChI=1S/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3",COC(=O)C=Cc1ccc(OC)cc1,C11H12O3,,192.078644244,VEZIKIAGFYZTCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Piper philippinum,290828.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper nudibaccatum'],4,3,8.384608745574951 116983,4817,88,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.7211522,ISDB,VEZIKIAGFYZTCI-YVMONPNESA-N,"InChI=1S/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3/b8-5-",COC(=O)/C=C\c1ccc(OC)cc1,C11H12O3,,192.078644244,VEZIKIAGFYZTCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Haplophyllum latifolium,762596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Haplophyllum'],['Haplophyllum latifolium'],4,3,8.384608745574951 116984,4817,88,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.7211522,ISDB,VEZIKIAGFYZTCI-UHFFFAOYSA-N,"InChI=1S/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3",COC(=O)C=Cc1ccc(OC)cc1,C11H12O3,,192.078644244,VEZIKIAGFYZTCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Scrophularia buergeriana,764427.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Scrophulariaceae'],['Scrophularieae'],['Scrophularia'],['Scrophularia buergeriana'],4,3,8.384608745574951 116985,4817,88,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.7211522,ISDB,VEZIKIAGFYZTCI-UHFFFAOYSA-N,"InChI=1S/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3",COC(=O)C=Cc1ccc(OC)cc1,C11H12O3,,192.078644244,VEZIKIAGFYZTCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Sideritis infernalis,218370.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Stachydeae'],['Sideritis'],['Sideritis infernalis'],4,3,8.384608745574951 116986,4817,88,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.7211522,ISDB,VEZIKIAGFYZTCI-UHFFFAOYSA-N,"InChI=1S/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3",COC(=O)C=Cc1ccc(OC)cc1,C11H12O3,,192.078644244,VEZIKIAGFYZTCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Philotheca obovalis,6126545.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Philotheca'],['Philotheca obovalis'],4,3,8.384608745574951 116935,4816,-1,,,,0.0,MS1_match,CSKKDSFETGLMSB-QOMIBOLPSA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11-,12-,13+,14-,16+,17-/m1/s1",C=C[C@H]1[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC=O,C17H24O10,pos_1_1proton,388.136946968,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera periclymenum,811893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera periclymenum'],8,0,8.0 116936,4816,-1,,,,0.0,MS1_match,CSKKDSFETGLMSB-QOMIBOLPSA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11-,12-,13+,14-,16+,17-/m1/s1",C=C[C@H]1[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC=O,C17H24O10,pos_1_1proton,388.136946968,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera periclymenum,811893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera periclymenum'],8,0,8.0 116933,4815,546,Alkaloids,Pseudoalkaloids,Isoindole alkaloids,0.5089156,ISDB,HMZRYPLRIDLTNP-UHFFFAOYSA-N,"InChI=1S/C13H15NO5/c15-8-5-9-10(11(16)6-8)7-14(13(9)19)4-2-1-3-12(17)18/h5-6,15-16H,1-4,7H2,(H,17,18)",O=C(O)CCCCN1Cc2c(O)cc(O)cc2C1=O,C13H15NO5,,265.09502258,HMZRYPLRIDLTNP,Alkaloids,Pseudoalkaloids,Isoindole alkaloids,Meyerozyma guilliermondii,334025.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Unknown'],['Saccharomycetales'],['Debaryomycetaceae'],['Unknown'],['Meyerozyma'],['Meyerozyma guilliermondii'],1,3,4.535662412643433 116930,4813,-1,,,,0.0,MS1_match,AQOVEYNSQFBSQX-STMBSLSDSA-N,"InChI=1S/C16H20O5/c1-4-13(11-17)16(18)21-9-5-6-12-7-8-14(19-2)15(10-12)20-3/h4-8,10,17H,9,11H2,1-3H3/b6-5+,13-4-",C/C=C(/CO)C(=O)OC/C=C/c1ccc(OC)c(OC)c1,C16H20O5,pos_1_1proton1ammonium,292.13107374,AQOVEYNSQFBSQX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Morina chinensis,68249.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Morina'],['Morina chinensis'],6,0,6.0 116931,4813,-1,,,,0.0,MS1_match,YDYHOAALGZGNKR-IVTISIJFSA-N,"InChI=1S/C28H40O10/c1-8-18(6)11-25(32)37-22-12-21-20(13-34-19(7)29)14-35-27(38-24(31)10-17(4)5)26(21)28(22,33)15-36-23(30)9-16(2)3/h10,12,14,16,18,22,26-27,33H,8-9,11,13,15H2,1-7H3/t18-,22-,26+,27-,28+/m0/s1",CC[C@H](C)CC(=O)O[C@H]1C=C2C(COC(C)=O)=CO[C@@H](OC(=O)C=C(C)C)[C@@H]2[C@@]1(O)COC(=O)CC(C)C,C28H40O10,pos_2_2proton2acetonitrile,536.26214748,YDYHOAALGZGNKR,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana sorbifolia,445623.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana sorbifolia'],6,0,6.0 116926,4812,30,Alkaloids,Tyrosine alkaloids,Cinnamic acid amides,0.0,MS1_match,SESFRYSPDFLNCH-UHFFFAOYSA-N,"InChI=1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2",O=C(OCc1ccccc1)c1ccccc1,C14H12O2,pos_1_1proton1acetonitrile,212.083729624,SESFRYSPDFLNCH,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 116924,4811,145,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,SCTDPJFVWAWKPB-JBKQMOEBSA-N,"InChI=1S/C24H28O10/c25-8-17-19(26)20(27)21(28)24(33-17)34-23-18-13(15(10-32-23)22(29)30)6-12-7-16(18)31-9-14(12)11-4-2-1-3-5-11/h1-5,9-10,12-13,16-21,23-28H,6-8H2,(H,29,30)/t12-,13-,16-,17-,18+,19-,20+,21-,23+,24+/m1/s1",O=C(O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1C[C@@H]1C[C@H]2OC=C1c1ccccc1,C24H28O10,pos_2_2proton2acetonitrile,476.1682470959998,SCTDPJFVWAWKPB,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],8,0,8.0 116923,4808,122,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Iridoids monoterpenoids,0.0,MS1_match,DHPIOVHVFXYRTA-MGRUWCHMSA-N,"InChI=1S/C33H40O8/c1-35-26-13-10-21(16-29(26)38-4)8-7-9-23-17-25(32(34)22-11-14-27(36-2)30(18-22)39-5)20-41-33(23)24-12-15-28(37-3)31(19-24)40-6/h7-8,10-16,18-19,23,25,32-34H,9,17,20H2,1-6H3/b8-7+/t23-,25+,32?,33-/m1/s1",COc1ccc(/C=C/C[C@@H]2C[C@H](C(O)c3ccc(OC)c(OC)c3)CO[C@H]2c2ccc(OC)c(OC)c2)cc1OC,C33H40O8,pos_2_1proton1sodium,564.27231824,DHPIOVHVFXYRTA,Shikimates and Phenylpropanoids,Lignans,Neolignans,Morina chinensis,68249.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Morina'],['Morina chinensis'],6,1,6.5 116922,4807,1796,,,,0.35044634,ISDB,,,,,,,UUHLSBBVRGOGFW,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.4017853736877441 116878,4806,-1,,,,0.0,MS1_match,CSKKDSFETGLMSB-NRZPKYKESA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11-,12-,13+,14-,16+,17+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC=O,C17H24O10,pos_1_sodium,388.1369469679999,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera tatarica,980069.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],8,0,8.0 116879,4806,-1,,,,0.0,MS1_match,CSKKDSFETGLMSB-UHFFFAOYSA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC=O,C17H24O10,pos_1_sodium,388.1369469679999,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera morrowii,484242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],8,0,8.0 116880,4806,-1,,,,0.0,MS1_match,CSKKDSFETGLMSB-NRZPKYKESA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11-,12-,13+,14-,16+,17+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC=O,C17H24O10,pos_1_sodium,388.1369469679999,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera tatarica,980069.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],8,0,8.0 116881,4806,-1,,,,0.0,MS1_match,LPOVXLVQNSEZGE-PMRPVAAPSA-N,"InChI=1S/C17H24O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,10-14,16-18,20-22H,3-4H2,1-2H3/t6-,7+,10+,11+,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1CC(=O)[C@@H]2C,C17H24O10,pos_1_sodium,388.1369469679999,LPOVXLVQNSEZGE,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera morrowii,484242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],8,0,8.0 116882,4806,-1,,,,0.0,MS1_match,LPOVXLVQNSEZGE-PMRPVAAPSA-N,"InChI=1S/C17H24O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,10-14,16-18,20-22H,3-4H2,1-2H3/t6-,7+,10+,11+,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1CC(=O)[C@@H]2C,C17H24O10,pos_1_sodium,388.1369469679999,LPOVXLVQNSEZGE,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera morrowii,484242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],8,0,8.0 116883,4806,-1,,,,0.0,MS1_match,CSKKDSFETGLMSB-UHFFFAOYSA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC=O,C17H24O10,pos_1_sodium,388.1369469679999,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera morrowii,484242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],8,0,8.0 116876,4804,-1,,,,0.0,MS1_match,XOXYHGOIRWABTC-UHFFFAOYSA-N,"InChI=1S/C14H10O5/c1-18-8-5-10(16)13-12(6-8)19-11-3-2-7(15)4-9(11)14(13)17/h2-6,15-16H,1H3",COc1cc(O)c2c(=O)c3cc(O)ccc3oc2c1,C14H10O5,pos_1_1sodium1acetonitrile,258.05282342000004,XOXYHGOIRWABTC,Shikimates and Phenylpropanoids,Xanthones,Plant xanthones,Cephalaria procera,6061197.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Cephalaria'],['Cephalaria procera'],6,0,6.0 116877,4804,-1,,,,0.0,MS1_match,XOXYHGOIRWABTC-UHFFFAOYSA-N,"InChI=1S/C14H10O5/c1-18-8-5-10(16)13-12(6-8)19-11-3-2-7(15)4-9(11)14(13)17/h2-6,15-16H,1H3",COc1cc(O)c2c(=O)c3cc(O)ccc3oc2c1,C14H10O5,pos_1_1sodium1acetonitrile,258.05282342000004,XOXYHGOIRWABTC,Shikimates and Phenylpropanoids,Xanthones,Plant xanthones,Cephalaria kotschyi,6061197.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Cephalaria'],['Cephalaria procera'],6,0,6.0 116868,4802,-1,,,,0.23436171,ISDB,NCJBMKOLGAKGTI-KSSFIOAISA-N,"InChI=1S/C18H20N2O3/c21-17(22)18(16-9-12-3-1-2-4-15(12)20-16)11-23-8-6-13-10-19-7-5-14(13)18/h1-4,6,9,14,19-20H,5,7-8,10-11H2,(H,21,22)/t14-,18-/m0/s1",O=C(O)[C@@]1(c2cc3ccccc3[nH]2)COCC=C2CNCC[C@@H]21,C18H20N2O3,,312.1473925,NCJBMKOLGAKGTI,Alkaloids,Tryptophan alkaloids,Carboline alkaloids,Alstonia scholaris,749453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Alstonieae'],['Alstonia'],['Alstonia scholaris'],4,0,4.93744683265686 116869,4802,-1,,,,0.23436171,ISDB,NCJBMKOLGAKGTI-KSSFIOAISA-N,"InChI=1S/C18H20N2O3/c21-17(22)18(16-9-12-3-1-2-4-15(12)20-16)11-23-8-6-13-10-19-7-5-14(13)18/h1-4,6,9,14,19-20H,5,7-8,10-11H2,(H,21,22)/t14-,18-/m0/s1",O=C(O)[C@@]1(c2cc3ccccc3[nH]2)COCC=C2CNCC[C@@H]21,C18H20N2O3,,312.1473925,NCJBMKOLGAKGTI,Alkaloids,Tryptophan alkaloids,Carboline alkaloids,Alstonia angustiloba,5784611.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Alstonieae'],['Alstonia'],['Alstonia angustiloba'],4,0,4.93744683265686 116867,4800,280,Alkaloids,Monoterpenoids,Terpenoid alkaloids,0.0,MS1_match,SCTDPJFVWAWKPB-JBKQMOEBSA-N,"InChI=1S/C24H28O10/c25-8-17-19(26)20(27)21(28)24(33-17)34-23-18-13(15(10-32-23)22(29)30)6-12-7-16(18)31-9-14(12)11-4-2-1-3-5-11/h1-5,9-10,12-13,16-21,23-28H,6-8H2,(H,29,30)/t12-,13-,16-,17-,18+,19-,20+,21-,23+,24+/m1/s1",O=C(O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1C[C@@H]1C[C@H]2OC=C1c1ccccc1,C24H28O10,pos_2_2proton2acetonitrile,476.1682470959998,SCTDPJFVWAWKPB,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,2,8.0 116838,4798,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,OCNYGKNIVPVPPX-HWKANZROSA-N,"InChI=1S/C10H10O4/c1-14-10(13)5-3-7-2-4-8(11)9(12)6-7/h2-6,11-12H,1H3/b5-3+",COC(=O)/C=C/c1ccc(O)c(O)c1,C10H10O4,pos_1_1proton1methanol,194.0579088,OCNYGKNIVPVPPX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera bournei,5746380.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera bournei'],7,3,8.5 116836,4795,266,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,HYPGAWDRWVQHEX-UHFFFAOYSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(15(22)23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2",O=C(C=Cc1ccc(O)c(O)c1)OC1C(O)OC(CO)C(O)C1O,C15H18O9,pos_1_1proton1acetonitrile,342.095082156,HYPGAWDRWVQHEX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Dipsacus inermis,776357.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Dipsacus'],['Dipsacus inermis'],6,0,6.0 116837,4795,266,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,HYPGAWDRWVQHEX-UHFFFAOYSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(15(22)23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2",O=C(C=Cc1ccc(O)c(O)c1)OC1C(O)OC(CO)C(O)C1O,C15H18O9,pos_1_1proton1acetonitrile,342.095082156,HYPGAWDRWVQHEX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Dipsacus asper,365911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Dipsacus'],['Dipsacus asper'],6,0,6.0 116823,4794,45,Shikimates and Phenylpropanoids,Phenanthrenoids,Phenanthrenes,0.7051236,ISDB,GSSPKCPIRDPBQE-UHFFFAOYSA-N,"InChI=1S/C17H14O2/c1-3-11-8-13(18)9-12-4-5-14-10(2)16(19)7-6-15(14)17(11)12/h3-9,18-19H,1H2,2H3",C=Cc1cc(O)cc2ccc3c(C)c(O)ccc3c12,C17H14O2,,250.099379688,GSSPKCPIRDPBQE,Shikimates and Phenylpropanoids,Phenanthrenoids,Phenanthrenes,Juncus setchuensis,3964818.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Juncaceae'],['Unknown'],['Juncus'],['Juncus setchuensis'],4,3,8.320494413375854 116824,4794,45,Shikimates and Phenylpropanoids,Phenanthrenoids,Phenanthrenes,0.7051236,ISDB,GSSPKCPIRDPBQE-UHFFFAOYSA-N,"InChI=1S/C17H14O2/c1-3-11-8-13(18)9-12-4-5-14-10(2)16(19)7-6-15(14)17(11)12/h3-9,18-19H,1H2,2H3",C=Cc1cc(O)cc2ccc3c(C)c(O)ccc3c12,C17H14O2,,250.099379688,GSSPKCPIRDPBQE,Shikimates and Phenylpropanoids,Phenanthrenoids,Phenanthrenes,Juncus effusus,26727.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Juncaceae'],['Unknown'],['Juncus'],['Juncus effusus'],4,3,8.320494413375854 116825,4794,45,Shikimates and Phenylpropanoids,Phenanthrenoids,Phenanthrenes,0.7051236,ISDB,GSSPKCPIRDPBQE-UHFFFAOYSA-N,"InChI=1S/C17H14O2/c1-3-11-8-13(18)9-12-4-5-14-10(2)16(19)7-6-15(14)17(11)12/h3-9,18-19H,1H2,2H3",C=Cc1cc(O)cc2ccc3c(C)c(O)ccc3c12,C17H14O2,,250.099379688,GSSPKCPIRDPBQE,Shikimates and Phenylpropanoids,Phenanthrenoids,Phenanthrenes,Juncus acutus,437972.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Juncaceae'],['Unknown'],['Juncus'],['Juncus acutus'],4,3,8.320494413375854 116822,4790,145,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,IUCHKMAZAWJNBJ-RCYXVVTDSA-N,"InChI=1S/C36H56O9/c1-31(2)14-16-36(30(42)43)17-15-34(6)19(20(36)18-31)8-9-22-33(5)12-11-23(32(3,4)21(33)10-13-35(22,34)7)44-29-26(39)24(37)25(38)27(45-29)28(40)41/h8,20-27,29,37-39H,9-18H2,1-7H3,(H,40,41)(H,42,43)/t20-,21-,22+,23-,24-,25-,26+,27-,29+,33-,34+,35+,36-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C36H56O9,pos_2_2sodium,632.392433372,IUCHKMAZAWJNBJ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lonicera nigra,179065.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera nigra'],8,0,8.0 116807,4789,-1,,,,0.4773462,ISDB,XUACNUJFOIKYPQ-UHFFFAOYSA-N,"InChI=1S/C16H19NO7/c18-10(5-7-6-17-9-4-2-1-3-8(7)9)24-16-14(22)12(20)11(19)13(21)15(16)23/h1-4,6,11-17,19-23H,5H2",O=C(Cc1c[nH]c2ccccc12)OC1C(O)C(O)C(O)C(O)C1O,C16H19NO7,,337.116151948,XUACNUJFOIKYPQ,,,,Zea mays,605194.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Zea'],['Zea mays'],4,0,5.909384846687317 116808,4789,-1,,,,0.4773462,ISDB,XUACNUJFOIKYPQ-JQOWZUPLSA-N,"InChI=1S/C16H19NO7/c18-10(5-7-6-17-9-4-2-1-3-8(7)9)24-16-14(22)12(20)11(19)13(21)15(16)23/h1-4,6,11-17,19-23H,5H2/t11-,12-,13-,14-,15+,16+/m1/s1",O=C(Cc1c[nH]c2ccccc12)O[C@H]1[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O,C16H19NO7,,337.116151948,XUACNUJFOIKYPQ,,,,Oryza sativa,709894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza sativa'],4,0,5.909384846687317 116806,4788,649,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,GJOKUHOJKKOIEW-UHFFFAOYSA-N,"InChI=1S/C12H14O6/c1-7(4-13)12(17)3-11(18-8(2)16)9(5-14)10(12)6-15/h4,6,11,14,17H,1,3,5H2,2H3",C=C(C=O)C1(O)CC(OC(C)=O)C(CO)=C1C=O,C12H14O6,pos_1_1proton2acetonitrile,254.079038168,GJOKUHOJKKOIEW,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,3,7.5 116803,4787,164,Alkaloids,,,0.24929263,ISDB,PVXWBKJKWJZGQJ-DZQJYWQESA-N,"InChI=1S/C16H20N2O6/c19-8-11-13(20)14(21)15(22)16(24-11)23-10-3-1-9(2-4-10)7-12-17-5-6-18-12/h1-6,11,13-16,19-22H,7-8H2,(H,17,18)/t11-,13+,14+,15-,16-/m1/s1",OC[C@H]1O[C@@H](Oc2ccc(Cc3ncc[nH]3)cc2)[C@H](O)[C@@H](O)[C@H]1O,C16H20N2O6,,336.13213636,PVXWBKJKWJZGQJ,Alkaloids,,,Lepidium sativum,925289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Lepidieae'],['Lepidium'],['Lepidium sativum'],4,1,5.497170507907867 116748,4781,-1,,,,0.33417985,ISDB,XWOHZIIPBYAMJX-KHBMLBSESA-N,"InChI=1S/C11H16O5/c1-5-8(12)3-6-7(10(13)15-2)4-16-11(14)9(5)6/h4-6,8-9,11-12,14H,3H2,1-2H3/t5-,6+,8-,9+,11+/m0/s1",COC(=O)C1=CO[C@@H](O)[C@@H]2[C@@H](C)[C@@H](O)C[C@H]12,C11H16O5,,228.099773612,XWOHZIIPBYAMJX,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Dipsacus laciniatus,489131.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Dipsacus'],['Dipsacus laciniatus'],6,0,7.336719393730164 116743,4779,-1,,,,0.0,MS1_match,MPVZRKBKGSHLGP-VNOQCFOKSA-N,"InChI=1S/C12H16O3/c1-7-5-8(13)6-9-10(14)3-4-11(15)12(7,9)2/h3-4,6-8,11,13,15H,5H2,1-2H3/t7-,8-,11-,12+/m1/s1",C[C@@H]1C[C@@H](O)C=C2C(=O)C=C[C@@H](O)[C@]21C,C12H16O3,pos_1_1proton1acetonitrile,208.109944372,MPVZRKBKGSHLGP,Terpenoids,Sesquiterpenoids,Nardosinane sesquiterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,0,6.0 116744,4779,-1,,,,0.0,MS1_match,MPVZRKBKGSHLGP-VNOQCFOKSA-N,"InChI=1S/C12H16O3/c1-7-5-8(13)6-9-10(14)3-4-11(15)12(7,9)2/h3-4,6-8,11,13,15H,5H2,1-2H3/t7-,8-,11-,12+/m1/s1",C[C@@H]1C[C@@H](O)C=C2C(=O)C=C[C@@H](O)[C@]21C,C12H16O3,pos_1_1proton1acetonitrile,208.109944372,MPVZRKBKGSHLGP,Terpenoids,Sesquiterpenoids,Nardosinane sesquiterpenoids,Nardostachys jatamansi,24101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Nardostachys'],['Nardostachys jatamansi'],6,0,6.0 116745,4779,-1,,,,0.0,MS1_match,DARGUPSDBIBHDD-SNVBAGLBSA-N,"InChI=1S/C12H16O3/c1-5-10(13-2)9-6-7-11(14-3)12(8-9)15-4/h5-8,10H,1H2,2-4H3/t10-/m1/s1",C=C[C@@H](OC)c1ccc(OC)c(OC)c1,C12H16O3,pos_1_1proton1acetonitrile,208.109944372,DARGUPSDBIBHDD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Morina chinensis,68249.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Morina'],['Morina chinensis'],6,0,6.0 116746,4779,-1,,,,0.0,MS1_match,ATPPQNYORHPCJE-UHFFFAOYSA-N,"InChI=1S/C29H42O4/c1-16-7-11-28-14-13-27(6)26(5)10-8-19-18(3)22(31)20(30)15-25(19,4)21(26)9-12-29(27,33-24(28)32)23(28)17(16)2/h9,12,16-17,19-23,30-31H,3,7-8,10-11,13-15H2,1-2,4-6H3",C=C1C(O)C(O)CC2(C)C1CCC1(C)C2C=CC23OC(=O)C4(CCC(C)C(C)C42)CCC13C,C29H42O4,pos_2_2sodium,454.308309824,ATPPQNYORHPCJE,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Weigela subsessilis,82213.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Weigela'],['Weigela subsessilis'],6,0,6.0 116747,4779,-1,,,,0.0,MS1_match,ATPPQNYORHPCJE-UHFFFAOYSA-N,"InChI=1S/C29H42O4/c1-16-7-11-28-14-13-27(6)26(5)10-8-19-18(3)22(31)20(30)15-25(19,4)21(26)9-12-29(27,33-24(28)32)23(28)17(16)2/h9,12,16-17,19-23,30-31H,3,7-8,10-11,13-15H2,1-2,4-6H3",C=C1C(O)C(O)CC2(C)C1CCC1(C)C2C=CC23OC(=O)C4(CCC(C)C(C)C42)CCC13C,C29H42O4,pos_2_2sodium,454.308309824,ATPPQNYORHPCJE,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Weigela subsessilis,82213.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Weigela'],['Weigela subsessilis'],6,0,6.0 116741,4778,76,,,,0.2688041,ISDB,,,,,,,NHJDIHHQSGBVGA,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.0752164125442505 116740,4777,-1,,,,0.0,MS1_match,NJTOSCMFMNLPNQ-UHFFFAOYSA-N,"InChI=1S/C14H10O4/c1-17-11-7-2-4-8-13(16)12-9(15)5-3-6-10(12)18-14(8)11/h2-7,15H,1H3",COc1cccc2c(=O)c3c(O)cccc3oc12,C14H10O4,pos_1_sodium,242.0579088,NJTOSCMFMNLPNQ,Shikimates and Phenylpropanoids,Xanthones,Plant xanthones,Patrinia rupestris,1035977.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia rupestris'],6,0,6.0 116738,4776,298,Polyketides,Phenylpropanoids (C6-C3),Macrolide lactones,0.43464485,ISDB,ZZDJNPFVWSOKTO-TULNHCNLSA-N,"InChI=1S/C24H26O10/c1-13(25)15-6-9-17(18(11-15)31-2)33-24-23(30)22(29)21(28)19(34-24)12-32-20(27)10-5-14-3-7-16(26)8-4-14/h3-11,19,21-24,26,28-30H,12H2,1-2H3/b10-5+/t19-,21-,22+,23-,24-/m1/s1",COc1cc(C(C)=O)ccc1O[C@@H]1O[C@H](COC(=O)/C=C/c2ccc(O)cc2)[C@@H](O)[C@H](O)[C@H]1O,C24H26O10,,474.1525970319999,ZZDJNPFVWSOKTO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Picrorhiza scrophulariiflora,257215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Neopicrorhiza'],['Neopicrorhiza scrophulariiflora'],4,2,6.7385793924331665 116739,4776,298,Polyketides,Phenylpropanoids (C6-C3),Macrolide lactones,0.43464485,ISDB,ZZDJNPFVWSOKTO-FTFWDOSHSA-N,"InChI=1S/C24H26O10/c1-13(25)15-6-9-17(18(11-15)31-2)33-24-23(30)22(29)21(28)19(34-24)12-32-20(27)10-5-14-3-7-16(26)8-4-14/h3-11,19,21-24,26,28-30H,12H2,1-2H3/b10-5+/t19-,21+,22+,23-,24-/m1/s1",COc1cc(C(C)=O)ccc1O[C@@H]1O[C@H](COC(=O)/C=C/c2ccc(O)cc2)[C@H](O)[C@H](O)[C@H]1O,C24H26O10,,474.152597032,ZZDJNPFVWSOKTO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Neopicrorhiza scrophulariiflora,257215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Neopicrorhiza'],['Neopicrorhiza scrophulariiflora'],4,2,6.7385793924331665 116727,4774,237,Terpenoids,Steroids,Iridoids monoterpenoids,0.0,MS1_match,NRWUTPXRYNUSMI-XOLXQSKQSA-N,"InChI=1S/C17H30O9/c1-7-8-4-11(19)17(2,9(8)6-24-15(7)23-3)26-16-14(22)13(21)12(20)10(5-18)25-16/h7-16,18-22H,4-6H2,1-3H3/t7-,8-,9+,10-,11-,12-,13+,14-,15-,16+,17+/m1/s1",CO[C@@H]1OC[C@H]2[C@H](C[C@@H](O)[C@@]2(C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1C,C17H30O9,pos_1_1proton2acetonitrile,378.18898254,NRWUTPXRYNUSMI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia scabra,68239.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia scabra'],6,3,7.5 116715,4770,1492,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,0.6941266,ISDB,RYVHAUGLXQMZCK-UHFFFAOYSA-N,"InChI=1S/C13H15NO4/c1-4-7-11(17-2)8-5-6-9(15)12(18-3)10(8)14-13(7)16/h5-6,15H,4H2,1-3H3,(H,14,16)",CCc1c(O)nc2c(OC)c(O)ccc2c1OC,C13H15NO4,,249.10010796,RYVHAUGLXQMZCK,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,Haplophyllum acutifolium,239196.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Haplophyllum'],['Haplophyllum acutifolium'],4,3,8.276506423950195 116653,4769,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.60563844,ISDB,RJLAJQDKXWWUNG-UHFFFAOYSA-N,"InChI=1S/C13H18O/c1-8-4-5-9(2)12-11(8)7-6-10(3)13(12)14/h4-5,10,13-14H,6-7H2,1-3H3",Cc1ccc(C)c2c1CCC(C)C2O,C13H18O,,190.135765196,RJLAJQDKXWWUNG,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],4,3,7.922553777694702 116643,4768,877,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.5229137,ISDB,SBJOSYJXFBWYRQ-VZNAOLJHSA-N,"InChI=1S/C20H20O7/c1-25-16-13-14(6-8-15(16)21)7-9-19(24)27-20(12-10-18(22)23)11-4-3-5-17(20)26-2/h3-13,17,21H,1-2H3,(H,22,23)/b9-7+,12-10?",COc1cc(/C=C/C(=O)OC2(C=CC(=O)O)C=CC=CC2OC)ccc1O,C20H20O7,,372.12090298,SBJOSYJXFBWYRQ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Curcuma kwangsiensis,168279.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Curcuma'],['Curcuma kwangsiensis'],4,3,7.5916547775268555 116644,4768,877,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.5229137,ISDB,SBJOSYJXFBWYRQ-VZNAOLJHSA-N,"InChI=1S/C20H20O7/c1-25-16-13-14(6-8-15(16)21)7-9-19(24)27-20(12-10-18(22)23)11-4-3-5-17(20)26-2/h3-13,17,21H,1-2H3,(H,22,23)/b9-7+,12-10?",COc1cc(/C=C/C(=O)OC2(C=CC(=O)O)C=CC=CC2OC)ccc1O,C20H20O7,,372.12090298,SBJOSYJXFBWYRQ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Curcuma chuanyujin,168353.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Curcuma'],['Curcuma chuanyujin'],4,3,7.5916547775268555 116638,4767,167,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.46404046,ISDB,HAJRFFOSWOEITM-WKYRQYEVSA-N,"InChI=1S/C20H28O13/c1-6(22)12-9(23)3-8(4-10(12)24)31-20-18(16(28)14(26)11(5-21)32-20)33-19-17(29)15(27)13(25)7(2)30-19/h3-4,7,11,13-21,23-29H,5H2,1-2H3/t7-,11+,13-,14+,15+,16-,17+,18+,19-,20+/m0/s1",CC(=O)c1c(O)cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)cc1O,C20H28O13,,476.1529909559998,HAJRFFOSWOEITM,Polyketides,Phloroglucinols,Acyl phloroglucinols,Bursera simaruba,841945.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Burseraceae'],['Unknown'],['Bursera'],['Bursera simaruba'],4,0,5.856161832809448 116637,4766,169,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,KQNYBDACXLEBLR-ALCCZGGFSA-N,"InChI=1S/C13H16O2/c1-2-3-4-5-7-11-8-6-9-12(10-11)13(14)15/h5-10H,2-4H2,1H3,(H,14,15)/b7-5-",CCCC/C=C\c1cccc(C(=O)O)c1,C13H16O2,pos_1_1proton1ammonium,204.115029752,KQNYBDACXLEBLR,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 116636,4765,169,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,RJKFOVLPORLFTN-LEKSSAKUSA-N,"InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1",CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,C21H30O2,pos_2_2sodium,314.2245802,RJKFOVLPORLFTN,Terpenoids,Steroids,Pregnane steroids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],8,1,8.5 116635,4764,449,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,LTRLDPJSMLPKMF-YKXWAFRCSA-N,"InChI=1S/C25H40O10/c1-12-9-14(26)10-25(3,4)15(12)6-5-13(2)34-24-23(32)22(31)21(30)18(35-24)11-33-17-8-7-16(27)19(28)20(17)29/h5-6,9,13,15-24,27-32H,7-8,10-11H2,1-4H3/b6-5+/t13-,15+,16+,17-,18-,19+,20+,21-,22+,23-,24-/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@@H](C)O[C@@H]1O[C@H](CO[C@@H]2CC[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C25H40O10,pos_2_1proton1potassium,500.26214748,LTRLDPJSMLPKMF,Terpenoids,Apocarotenoids,Megastigmanes,Lonicera gracilipes,920854.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera gracilipes'],7,3,8.5 116634,4763,25,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,PIJWCPNNZULZBH-GRYWMYPUSA-N,"InChI=1S/C18H28O12/c1-7(20)12-8(4-11(21)26-2)9(16(25)27-3)6-28-17(12)30-18-15(24)14(23)13(22)10(5-19)29-18/h6-8,10,12-15,17-20,22-24H,4-5H2,1-3H3/t7-,8+,10+,12+,13+,14-,15+,17-,18-/m0/s1",COC(=O)C[C@@H]1C(C(=O)OC)=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1[C@H](C)O,C18H28O12,pos_1_1proton1acetonitrile,436.158076336,PIJWCPNNZULZBH,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera alpigena,920868.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera alpigena'],7,2,8.0 116626,4762,237,Terpenoids,Steroids,Iridoids monoterpenoids,0.54710716,ISDB,CGECJCMPEVDNLS-CQWHKSPXSA-N,"InChI=1S/C28H38O9/c1-13-14(2)28(35,37-22(13)31)21-15(3)25(32)10-8-17-16-11-20(30)26(33)9-6-7-19(29)23(26,4)18(16)12-27(34,36-21)24(17,25)5/h6-7,15-18,20-21,30,32-35H,8-12H2,1-5H3/t15-,16+,17+,18+,20-,21-,23+,24+,25+,26+,27-,28+/m1/s1",CC1=C(C)[C@@](O)([C@@H]2O[C@]3(O)C[C@H]4[C@@H](C[C@@H](O)[C@@]5(O)CC=CC(=O)[C@]45C)[C@@H]4CC[C@](O)([C@@H]2C)[C@]43C)OC1=O,C28H38O9,,518.2515827959999,CGECJCMPEVDNLS,Terpenoids,Steroids,Ergostane steroids,Jaborosa caulescens,5745717.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa caulescens'],4,2,7.188428640365601 116615,4759,-1,,,,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Dipsacus asper,365911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Dipsacus'],['Dipsacus asper'],6,0,6.0 116616,4759,-1,,,,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Dipsacus inermis,776357.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Dipsacus'],['Dipsacus inermis'],6,0,6.0 116617,4759,-1,,,,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Cephalaria procera,6061197.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Cephalaria'],['Cephalaria procera'],6,0,6.0 116618,4759,-1,,,,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Cephalaria kotschyi,6061197.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Cephalaria'],['Cephalaria procera'],6,0,6.0 116619,4759,-1,,,,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Cephalaria nachiczevanica,6061192.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Cephalaria'],['Cephalaria nachiczevanica'],6,0,6.0 116620,4759,-1,,,,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Dipsacus asper,365911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Dipsacus'],['Dipsacus asper'],6,0,6.0 116621,4759,-1,,,,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Dipsacus inermis,776357.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Dipsacus'],['Dipsacus inermis'],6,0,6.0 116622,4759,-1,,,,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Cephalaria procera,6061197.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Cephalaria'],['Cephalaria procera'],6,0,6.0 116623,4759,-1,,,,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Cephalaria kotschyi,6061197.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Cephalaria'],['Cephalaria procera'],6,0,6.0 116624,4759,-1,,,,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Cephalaria nachiczevanica,6061192.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Cephalaria'],['Cephalaria nachiczevanica'],6,0,6.0 116613,4758,1570,,,,0.36593592,ISDB,,,,,,,APGOMUSZAWBZHE,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.4637436866760254 116612,4757,145,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.21606264,ISDB,,,,,,,XNOBKDCGNGFVSV,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.8642505407333374 116610,4756,544,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,SUGOCCUAKZVLFE-SDTHRHJYSA-N,"InChI=1S/C19H28O10/c1-2-3-6-27-18(26)12(22)8-10-4-5-13(11(21)7-10)28-19-17(25)16(24)15(23)14(9-20)29-19/h4-5,7,12,14-17,19-25H,2-3,6,8-9H2,1H3/t12-,14-,15-,16+,17-,19-/m1/s1",CCCCOC(=O)[C@H](O)Cc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1,C19H28O10,pos_1_1proton1ammonium,416.168247096,SUGOCCUAKZVLFE,,,,Ranunculus chinensis,162150.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus chinensis'],6,0,6.0 116611,4756,544,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,SUGOCCUAKZVLFE-SDTHRHJYSA-N,"InChI=1S/C19H28O10/c1-2-3-6-27-18(26)12(22)8-10-4-5-13(11(21)7-10)28-19-17(25)16(24)15(23)14(9-20)29-19/h4-5,7,12,14-17,19-25H,2-3,6,8-9H2,1H3/t12-,14-,15-,16+,17-,19-/m1/s1",CCCCOC(=O)[C@H](O)Cc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1,C19H28O10,pos_1_1proton1ammonium,416.168247096,SUGOCCUAKZVLFE,,,,Ranunculus cantoniensis,118756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus cantoniensis'],6,0,6.0 116604,4754,30,Alkaloids,Tyrosine alkaloids,Cinnamic acid amides,0.45788208,ISDB,RFYNAVYPYXLVOM-HNNXBMFYSA-N,"InChI=1S/C16H17NO2/c18-12-15(11-13-7-3-1-4-8-13)17-16(19)14-9-5-2-6-10-14/h1-10,15,18H,11-12H2,(H,17,19)/t15-/m0/s1",O=C(N[C@H](CO)Cc1ccccc1)c1ccccc1,C16H17NO2,,255.125928784,RFYNAVYPYXLVOM,Alkaloids,Peptide alkaloids,Simple amide alkaloids,Croton hieronymi,3913472.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Crotoneae'],['Croton'],['Croton hieronymi'],4,1,6.331528306007385 116605,4754,30,Alkaloids,Tyrosine alkaloids,Cinnamic acid amides,0.45788208,ISDB,RFYNAVYPYXLVOM-HNNXBMFYSA-N,"InChI=1S/C16H17NO2/c18-12-15(11-13-7-3-1-4-8-13)17-16(19)14-9-5-2-6-10-14/h1-10,15,18H,11-12H2,(H,17,19)/t15-/m0/s1",O=C(N[C@H](CO)Cc1ccccc1)c1ccccc1,C16H17NO2,,255.125928784,RFYNAVYPYXLVOM,Alkaloids,Peptide alkaloids,Simple amide alkaloids,Begonia nantoensis,74758.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cucurbitales'],['Begoniaceae'],['Unknown'],['Begonia'],['Begonia nantoensis'],4,1,6.331528306007385 116606,4754,30,Alkaloids,Tyrosine alkaloids,Cinnamic acid amides,0.45788208,ISDB,RFYNAVYPYXLVOM-HNNXBMFYSA-N,"InChI=1S/C16H17NO2/c18-12-15(11-13-7-3-1-4-8-13)17-16(19)14-9-5-2-6-10-14/h1-10,15,18H,11-12H2,(H,17,19)/t15-/m0/s1",O=C(N[C@H](CO)Cc1ccccc1)c1ccccc1,C16H17NO2,,255.125928784,RFYNAVYPYXLVOM,Alkaloids,Peptide alkaloids,Simple amide alkaloids,Houttuynia cordata,972211.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Saururaceae'],['Unknown'],['Houttuynia'],['Houttuynia cordata'],4,1,6.331528306007385 116602,4753,169,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,QRGSTISKDZCDHV-XCVCLJGOSA-N,"InChI=1S/C12H14O2/c1-3-10(2)12(13)14-9-11-7-5-4-6-8-11/h3-8H,9H2,1-2H3/b10-3+",C/C=C(\C)C(=O)OCc1ccccc1,C12H14O2,pos_1_1proton1ammonium,190.099379688,QRGSTISKDZCDHV,,,,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],8,0,8.0 116589,4751,-1,,,,0.36443684,ISDB,BTUZVFURXAOVBC-HQHBRHBDSA-N,"InChI=1S/C16H30O7/c1-4-16(3,21)7-5-6-10(2)9-22-15-14(20)13(19)12(18)11(8-17)23-15/h4,10-15,17-21H,1,5-9H2,2-3H3/t10-,11-,12-,13+,14-,15-,16-/m1/s1",C=C[C@@](C)(O)CCC[C@@H](C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H30O7,,334.1991533,BTUZVFURXAOVBC,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Conyza bonariensis,747355.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Conyza'],['Conyza bonariensis'],4,0,5.4577473402023315 116590,4751,-1,,,,0.36443684,ISDB,BTUZVFURXAOVBC-HQHBRHBDSA-N,"InChI=1S/C16H30O7/c1-4-16(3,21)7-5-6-10(2)9-22-15-14(20)13(19)12(18)11(8-17)23-15/h4,10-15,17-21H,1,5-9H2,2-3H3/t10-,11-,12-,13+,14-,15-,16-/m1/s1",C=C[C@@](C)(O)CCC[C@@H](C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H30O7,,334.1991533,BTUZVFURXAOVBC,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Erigeron bonariensis,747355.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Conyza'],['Conyza bonariensis'],4,0,5.4577473402023315 116591,4751,-1,,,,0.36443684,ISDB,BTUZVFURXAOVBC-UHFFFAOYSA-N,"InChI=1S/C16H30O7/c1-4-16(3,21)7-5-6-10(2)9-22-15-14(20)13(19)12(18)11(8-17)23-15/h4,10-15,17-21H,1,5-9H2,2-3H3",C=CC(C)(O)CCCC(C)COC1OC(CO)C(O)C(O)C1O,C16H30O7,,334.1991533,BTUZVFURXAOVBC,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Symphyotrichum subulatum,965961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Symphyotrichum'],['Symphyotrichum subulatum'],4,0,5.4577473402023315 116585,4750,280,Alkaloids,Monoterpenoids,Terpenoid alkaloids,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_1_1proton1acetonitrile,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera microphylla,980075.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera microphylla'],7,0,7.0 116584,4749,-1,,,,0.0,MS1_match,YVBAUDVGOFCUSG-UHFFFAOYSA-N,"InChI=1S/C9H14O/c1-2-3-4-6-9-7-5-8-10-9/h5,7-8H,2-4,6H2,1H3",CCCCCc1ccco1,C9H14O,pos_1_1proton2acetonitrile,138.104465068,YVBAUDVGOFCUSG,Polyketides,Cyclic polyketides,Furans,Patrinia villosa,971855.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia villosa'],6,0,6.0 116581,4746,545,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,0.60049677,ISDB,WJFJWQGKFWQXLB-NWDGAFQWSA-N,"InChI=1S/C14H17NO6/c1-21-12-2-3-13(19)15-14(20)11(18)5-7-4-9(16)10(17)6-8(7)12/h4,6,11-12,16-18H,2-3,5H2,1H3,(H,15,19,20)/t11-,12+/m0/s1",CO[C@@H]1CCC(=O)NC(=O)[C@@H](O)Cc2cc(O)c(O)cc21,C14H17NO6,,295.105587264,WJFJWQGKFWQXLB,Alkaloids,Lysine alkaloids,,Salvia miltiorrhiza,847543.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia miltiorrhiza'],4,1,6.901987075805664 116579,4745,280,Alkaloids,Monoterpenoids,Terpenoid alkaloids,0.57621825,ISDB,KOGLPFSKEKZVCZ-WCQYABFASA-N,"InChI=1S/C15H17NO5/c1-15(2)13(18)11(17)9-12(21-15)7-5-4-6-8(20-3)10(7)16-14(9)19/h4-6,11,13,17-18H,1-3H3,(H,16,19)/t11-,13+/m0/s1",COc1cccc2c3c(c(O)nc12)[C@H](O)[C@@H](O)C(C)(C)O3,C15H17NO5,,291.110672644,KOGLPFSKEKZVCZ,Alkaloids,,,Rauia resinosa,6126588.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Rauia'],['Rauia resinosa'],4,1,6.804872989654541 116576,4741,280,Alkaloids,Monoterpenoids,Terpenoid alkaloids,0.6200715,ISDB,,,,,,,QQQCHSOAVNFEBG,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.480285882949829 116563,4740,551,Shikimates and Phenylpropanoids,Monoterpenoids,Simple phenolic acids,0.0,MS1_match,FJKROLUGYXJWQN-UHFFFAOYSA-N,"InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)",O=C(O)c1ccc(O)cc1,C7H6O3,pos_2MHNH3,138.031694052,FJKROLUGYXJWQN,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Lonicera microphylla,980075.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera microphylla'],7,3,8.5 116500,4738,1294,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.3797298,ISDB,WRNYMVWAPLPFJG-RQJABVFESA-N,"InChI=1S/C14H22O3/c1-9(15)10-7-11-13(2,12(16)8-10)5-4-6-14(11,3)17/h8,11-12,16-17H,4-7H2,1-3H3/t11-,12+,13-,14+/m1/s1",CC(=O)C1=C[C@H](O)[C@]2(C)CCC[C@](C)(O)[C@@H]2C1,C14H22O3,,238.156894564,WRNYMVWAPLPFJG,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Teucrium heterophyllum,5232637.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Teucrium'],['Teucrium heterophyllum'],4,3,7.018919229507446 116492,4736,-1,,,,0.0,MS1_match,YPZQHCLBLRWNMJ-OPRDCNLKSA-N,"InChI=1S/C10H16O2/c1-4-10(3)6-5-9(12-10)8(2)7-11/h4,7-9H,1,5-6H2,2-3H3/t8-,9-,10-/m1/s1",C=C[C@]1(C)CC[C@H]([C@H](C)C=O)O1,C10H16O2,pos_2MHNH3,168.115029752,YPZQHCLBLRWNMJ,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 116408,4734,58,Polyketides,Glycerolipids,Glycosyldiacylglycerols,0.7117334,ISDB,JDVDGNAHTZMMBI-UHFFFAOYSA-N,"InChI=1S/C21H36O3/c1-5-7-8-9-10-11-12-13-14-15-16-19-17(3)20(22)18(6-2)21(23-4)24-19/h5-16H2,1-4H3",CCCCCCCCCCCCc1oc(OC)c(CC)c(=O)c1C,C21H36O3,,336.266445012,JDVDGNAHTZMMBI,Polyketides,Cyclic polyketides,4-pyrone derivatives,Podolepis rugata,24091.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Podolepis'],['Podolepis rugata'],4,1,7.346933603286743 116404,4729,167,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,MNTSOBLYWJLVEK-UHFFFAOYSA-N,"InChI=1S/C30H18O10/c31-16-8-20(34)29-22(36)12-25(39-27(29)10-16)14-1-4-18(5-2-14)38-24-6-3-15(7-19(24)33)26-13-23(37)30-21(35)9-17(32)11-28(30)40-26/h1-13,31-35H",O=c1cc(-c2ccc(Oc3ccc(-c4cc(=O)c5c(O)cc(O)cc5o4)cc3O)cc2)oc2cc(O)cc(O)c12,C30H18O10,pos_1_1proton1methanol,538.089996776,MNTSOBLYWJLVEK,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,2,8.0 116405,4729,167,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,NNPGECDACGBKDH-UHFFFAOYSA-N,"InChI=1S/C30H18O10/c31-16-8-20(34)29-22(36)12-24(39-27(29)10-16)14-1-4-18(5-2-14)38-26-7-15(3-6-19(26)33)25-13-23(37)30-21(35)9-17(32)11-28(30)40-25/h1-13,31-35H",O=c1cc(-c2ccc(Oc3cc(-c4cc(=O)c5c(O)cc(O)cc5o4)ccc3O)cc2)oc2cc(O)cc(O)c12,C30H18O10,pos_1_1proton1methanol,538.0899967759999,NNPGECDACGBKDH,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,2,8.0 116401,4725,-1,,,,0.529178,ISDB,KAUFDVDLVRIRJS-OTIJZXASSA-N,"InChI=1S/C30H42O10/c1-17(12-14-37-19-8-6-18-7-10-24(32)38-20(18)15-19)5-9-22-29(2,3)23(11-13-30(22,4)36)40-28-27(35)26(34)25(33)21(16-31)39-28/h6-8,10,12,15,21-23,25-28,31,33-36H,5,9,11,13-14,16H2,1-4H3/b17-12+/t21-,22-,23-,25-,26+,27-,28+,30+/m1/s1",C/C(=C\COc1ccc2ccc(=O)oc2c1)CC[C@@H]1C(C)(C)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC[C@]1(C)O,C30H42O10,,562.277797544,KAUFDVDLVRIRJS,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Ferula gummosa,164046.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Scandiceae'],['Ferula'],['Ferula gummosa'],4,0,6.1167120933532715 116402,4725,-1,,,,0.529178,ISDB,KAUFDVDLVRIRJS-OTIJZXASSA-N,"InChI=1S/C30H42O10/c1-17(12-14-37-19-8-6-18-7-10-24(32)38-20(18)15-19)5-9-22-29(2,3)23(11-13-30(22,4)36)40-28-27(35)26(34)25(33)21(16-31)39-28/h6-8,10,12,15,21-23,25-28,31,33-36H,5,9,11,13-14,16H2,1-4H3/b17-12+/t21-,22-,23-,25-,26+,27-,28+,30+/m1/s1",C/C(=C\COc1ccc2ccc(=O)oc2c1)CC[C@@H]1C(C)(C)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC[C@]1(C)O,C30H42O10,,562.277797544,KAUFDVDLVRIRJS,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Ferula ovina,131374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Scandiceae'],['Ferula'],['Ferula ovina'],4,0,6.1167120933532715 116403,4725,-1,,,,0.529178,ISDB,KAUFDVDLVRIRJS-OTIJZXASSA-N,"InChI=1S/C30H42O10/c1-17(12-14-37-19-8-6-18-7-10-24(32)38-20(18)15-19)5-9-22-29(2,3)23(11-13-30(22,4)36)40-28-27(35)26(34)25(33)21(16-31)39-28/h6-8,10,12,15,21-23,25-28,31,33-36H,5,9,11,13-14,16H2,1-4H3/b17-12+/t21-,22-,23-,25-,26+,27-,28+,30+/m1/s1",C/C(=C\COc1ccc2ccc(=O)oc2c1)CC[C@@H]1C(C)(C)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC[C@]1(C)O,C30H42O10,,562.277797544,KAUFDVDLVRIRJS,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Ferula kopetdagensis,3888267.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Scandiceae'],['Ferula'],['Ferula kopetdagensis'],4,0,6.1167120933532715 116387,4722,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,GXWUEMSASMVWKO-IRJHRTJJSA-N,"InChI=1S/C41H66O12/c1-36(2)14-16-41(35(48)49)17-15-39(6)21(22(41)18-36)8-9-26-38(5)12-11-27(37(3,4)25(38)10-13-40(26,39)7)52-34-32(28(44)23(43)20-50-34)53-33-31(47)30(46)29(45)24(19-42)51-33/h8,22-34,42-47H,9-20H2,1-7H3,(H,48,49)/t22-,23+,24+,25-,26+,27-,28+,29+,30-,31+,32-,33-,34-,38-,39+,40+,41-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@@H](O)[C@@H](O)[C@@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C41H66O12,pos_1_1proton1ammonium,750.455427552,GXWUEMSASMVWKO,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lonicera nigra,179065.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera nigra'],8,3,9.5 116388,4722,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,GXWUEMSASMVWKO-IRJHRTJJSA-N,"InChI=1S/C41H66O12/c1-36(2)14-16-41(35(48)49)17-15-39(6)21(22(41)18-36)8-9-26-38(5)12-11-27(37(3,4)25(38)10-13-40(26,39)7)52-34-32(28(44)23(43)20-50-34)53-33-31(47)30(46)29(45)24(19-42)51-33/h8,22-34,42-47H,9-20H2,1-7H3,(H,48,49)/t22-,23+,24+,25-,26+,27-,28+,29+,30-,31+,32-,33-,34-,38-,39+,40+,41-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@@H](O)[C@@H](O)[C@@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C41H66O12,pos_1_1proton1ammonium,750.455427552,GXWUEMSASMVWKO,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lonicera nigra,179065.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera nigra'],8,3,9.5 116389,4722,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,GXWUEMSASMVWKO-IRJHRTJJSA-N,"InChI=1S/C41H66O12/c1-36(2)14-16-41(35(48)49)17-15-39(6)21(22(41)18-36)8-9-26-38(5)12-11-27(37(3,4)25(38)10-13-40(26,39)7)52-34-32(28(44)23(43)20-50-34)53-33-31(47)30(46)29(45)24(19-42)51-33/h8,22-34,42-47H,9-20H2,1-7H3,(H,48,49)/t22-,23+,24+,25-,26+,27-,28+,29+,30-,31+,32-,33-,34-,38-,39+,40+,41-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@@H](O)[C@@H](O)[C@@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C41H66O12,pos_1_1proton1ammonium,750.455427552,GXWUEMSASMVWKO,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lonicera nigra,179065.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera nigra'],8,3,9.5 115831,4713,481,Terpenoids,Triterpenoids,Fernane and Arborinane triterpenoids,0.5357422,ISDB,YEUIANWBIIZWTM-KORLLVGLSA-N,"InChI=1S/C30H46O4/c1-16(2)17-9-10-20-28(6)14-19(32)24-25(29(28,7)15-23(34)30(17,20)8)18(31)13-21-26(3,4)22(33)11-12-27(21,24)5/h16-17,20-23,33-34H,9-15H2,1-8H3/t17-,20+,21+,22-,23-,27+,28+,29-,30-/m1/s1",CC(C)[C@H]1CC[C@@H]2[C@]1(C)[C@H](O)C[C@]1(C)C3=C(C(=O)C[C@@]21C)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC3=O,C30H46O4,,470.339609952,YEUIANWBIIZWTM,Terpenoids,Triterpenoids,Fernane and Arborinane triterpenoids,Lonicera gracilipes,920854.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera gracilipes'],7,3,10.642968893051147 115825,4710,7,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.0,MS1_match,FZLZHFMMPIVMNA-UHFFFAOYSA-N,"InChI=1S/C35H52O8/c1-18-13-35(28-32(6,43-28)17-40-35)42-20-14-31(5)22-8-7-21-29(2,3)23(41-27-26(38)25(37)19(36)15-39-27)9-10-33(21)16-34(22,33)12-11-30(31,4)24(18)20/h8,18-21,23-28,36-38H,7,9-17H2,1-6H3",CC1CC2(OCC3(C)OC32)OC2CC3(C)C4=CCC5C(C)(C)C(OC6OCC(O)C(O)C6O)CCC56CC46CCC3(C)C12,C35H52O8,pos_1_1proton,600.366218624,FZLZHFMMPIVMNA,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Actaea racemosa,512702.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea racemosa'],6,1,6.5 115826,4710,7,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.0,MS1_match,FZLZHFMMPIVMNA-OZJLMKSTSA-N,"InChI=1S/C35H52O8/c1-18-13-35(28-32(6,43-28)17-40-35)42-20-14-31(5)22-8-7-21-29(2,3)23(41-27-26(38)25(37)19(36)15-39-27)9-10-33(21)16-34(22,33)12-11-30(31,4)24(18)20/h8,18-21,23-28,36-38H,7,9-17H2,1-6H3/t18-,19-,20+,21+,23+,24+,25+,26-,27+,28+,30-,31+,32+,33-,34+,35-/m1/s1",C[C@@H]1C[C@@]2(OC[C@]3(C)O[C@H]23)O[C@H]2C[C@@]3(C)C4=CC[C@H]5C(C)(C)[C@@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)CC[C@@]56C[C@@]46CC[C@]3(C)[C@@H]12,C35H52O8,pos_1_1proton,600.366218624,FZLZHFMMPIVMNA,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Actaea asiatica,462241.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea asiatica'],6,1,6.5 115827,4710,7,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.0,MS1_match,AYQRZIHVNBUHFB-YPDXQIASSA-N,"InChI=1S/C35H52O8/c1-18-12-24-29(32(4,5)39)43-35(42-24)17-33(6)14-20-8-10-22-19(13-21(20)15-34(33,7)28(18)35)9-11-25(31(22,2)3)41-30-27(38)26(37)23(36)16-40-30/h8-9,15,18,22-30,36-39H,10-14,16-17H2,1-7H3/t18-,22+,23+,24+,25-,26+,27-,28-,29-,30+,33-,34+,35+/m1/s1",C[C@@H]1C[C@@H]2O[C@@]3(C[C@@]4(C)CC5=CC[C@H]6C(=CC[C@@H](O[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O)C6(C)C)CC5=C[C@@]4(C)[C@@H]13)O[C@H]2C(C)(C)O,C35H52O8,pos_1_1proton,600.366218624,AYQRZIHVNBUHFB,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Actaea elata,988729.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea elata'],6,1,6.5 115828,4710,7,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.0,MS1_match,AYQRZIHVNBUHFB-YPDXQIASSA-N,"InChI=1S/C35H52O8/c1-18-12-24-29(32(4,5)39)43-35(42-24)17-33(6)14-20-8-10-22-19(13-21(20)15-34(33,7)28(18)35)9-11-25(31(22,2)3)41-30-27(38)26(37)23(36)16-40-30/h8-9,15,18,22-30,36-39H,10-14,16-17H2,1-7H3/t18-,22+,23+,24+,25-,26+,27-,28-,29-,30+,33-,34+,35+/m1/s1",C[C@@H]1C[C@@H]2O[C@@]3(C[C@@]4(C)CC5=CC[C@H]6C(=CC[C@@H](O[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O)C6(C)C)CC5=C[C@@]4(C)[C@@H]13)O[C@H]2C(C)(C)O,C35H52O8,pos_1_1proton,600.366218624,AYQRZIHVNBUHFB,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Actaea cimicifuga,988720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea cimicifuga'],6,1,6.5 115829,4710,7,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.0,MS1_match,YPGMQGITTGQZFY-FOVWXURSSA-N,"InChI=1S/C35H52O8/c1-18-14-24-29(32(4,5)39)43-35(42-24)17-34(7)22-10-9-21-19(15-20(22)12-13-33(34,6)28(18)35)8-11-25(31(21,2)3)41-30-27(38)26(37)23(36)16-40-30/h8,10,12,18,21,23-30,36-39H,9,11,13-17H2,1-7H3/t18-,21-,23-,24-,25+,26+,27-,28-,29-,30+,33-,34+,35-/m1/s1",C[C@@H]1C[C@H]2O[C@]3(C[C@@]4(C)C5=CC[C@@H]6C(=CC[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)C6(C)C)CC5=CC[C@]4(C)[C@@H]13)O[C@H]2C(C)(C)O,C35H52O8,pos_1_1proton,600.3662186239999,YPGMQGITTGQZFY,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Actaea cimicifuga,988720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea cimicifuga'],6,1,6.5 115830,4710,7,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.0,MS1_match,YPGMQGITTGQZFY-FOVWXURSSA-N,"InChI=1S/C35H52O8/c1-18-14-24-29(32(4,5)39)43-35(42-24)17-34(7)22-10-9-21-19(15-20(22)12-13-33(34,6)28(18)35)8-11-25(31(21,2)3)41-30-27(38)26(37)23(36)16-40-30/h8,10,12,18,21,23-30,36-39H,9,11,13-17H2,1-7H3/t18-,21-,23-,24-,25+,26+,27-,28-,29-,30+,33-,34+,35-/m1/s1",C[C@@H]1C[C@H]2O[C@]3(C[C@@]4(C)C5=CC[C@@H]6C(=CC[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)C6(C)C)CC5=CC[C@]4(C)[C@@H]13)O[C@H]2C(C)(C)O,C35H52O8,pos_1_1proton,600.3662186239999,YPGMQGITTGQZFY,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Actaea elata,988729.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea elata'],6,1,6.5 115824,4707,-1,,,,0.23233779,ISDB,,,,,,,QPKRNPOEOOWPKT,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.9293511509895325 115533,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-NFJBMHMQSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Guazuma ulmifolia,526994.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Guazuma'],['Guazuma ulmifolia'],4,3,7.435758829116821 115534,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-VUGKQVTMSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Pisum sativum,359905.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Fabeae'],['Pisum'],['Pisum sativum'],4,3,7.435758829116821 115535,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-VUGKQVTMSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Daucus carota,372836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Scandiceae'],['Daucus'],['Daucus carota'],4,3,7.435758829116821 115536,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-NFJBMHMQSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Hypericum erectum,304180.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Hypericaceae'],['Hypericeae'],['Hypericum'],['Hypericum erectum'],4,3,7.435758829116821 115537,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-AVFWISQGSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Rhododendron ponticum,702552.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ericaceae'],['Rhodoreae'],['Rhododendron'],['Rhododendron ponticum'],4,3,7.435758829116821 115538,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-NFJBMHMQSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Vaccinium myrtillus,817730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ericaceae'],['Vaccinieae'],['Vaccinium'],['Vaccinium myrtillus'],4,3,7.435758829116821 115539,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-NFJBMHMQSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Ribes sanguineum,104008.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Grossulariaceae'],['Unknown'],['Ribes'],['Ribes sanguineum'],4,3,7.435758829116821 115540,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-AVFWISQGSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Geranium thunbergii,387579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Geraniales'],['Geraniaceae'],['Unknown'],['Geranium'],['Geranium thunbergii'],4,3,7.435758829116821 115541,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-NFJBMHMQSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum verum,481247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum verum'],4,3,7.435758829116821 115542,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-NFJBMHMQSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum zeylanicum,481247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum verum'],4,3,7.435758829116821 115543,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-NFJBMHMQSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Nelia pillansii,828278.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Aizoaceae'],['Unknown'],['Nelia'],['Nelia pillansii'],4,3,7.435758829116821 115544,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-NFJBMHMQSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Crataegus,842028.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Unknown'],4,3,7.435758829116821 115545,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-NFJBMHMQSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Theobroma cacao,388185.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Theobroma'],['Theobroma cacao'],4,3,7.435758829116821 115546,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-NFJBMHMQSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinchona pubescens,30634.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Cinchoneae'],['Cinchona'],['Cinchona pubescens'],4,3,7.435758829116821 115547,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-NFJBMHMQSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Crataegus laevigata,547115.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus laevigata'],4,3,7.435758829116821 115548,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-VUGKQVTMSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Paullinia cupana,648094.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Sapindaceae'],['Paullinieae'],['Paullinia'],['Paullinia cupana'],4,3,7.435758829116821 115549,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-AVFWISQGSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],4,3,7.435758829116821 115550,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-VUGKQVTMSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum aromaticum,130606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum aromaticum'],4,3,7.435758829116821 115551,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-VUGKQVTMSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum iners,1021266.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum iners'],4,3,7.435758829116821 115552,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-VUGKQVTMSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum pachyphyllum,130606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum aromaticum'],4,3,7.435758829116821 115553,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-UHFFFAOYSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2",Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2c1c(O)cc(O)c2c1OC(c1ccc(O)c(O)c1)C(O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Areca,408022.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Arecales'],['Arecaceae'],['Areceae'],['Areca'],['Unknown'],4,3,7.435758829116821 115554,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-VUGKQVTMSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Hibiscus cannabinus,393745.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Hibiscus'],['Hibiscus cannabinus'],4,3,7.435758829116821 115555,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-VUGKQVTMSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],4,3,7.435758829116821 115556,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-VUGKQVTMSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],4,3,7.435758829116821 115557,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-VUGKQVTMSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],4,3,7.435758829116821 115558,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-VUGKQVTMSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Annona reticulata,94924.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Annoneae'],['Annona'],['Annona reticulata'],4,3,7.435758829116821 115559,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-NFJBMHMQSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum bejolghota,864871.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum bejolghota'],4,3,7.435758829116821 115560,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-ATEOAPGCSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26?,27-,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Saraca indica,82405.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Saraceae'],['Saraca'],['Saraca indica'],4,3,7.435758829116821 115561,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-NFJBMHMQSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Saraca asoca,757467.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Saraceae'],['Saraca'],['Saraca asoca'],4,3,7.435758829116821 115562,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-AVFWISQGSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cydonia,366142.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Unknown'],4,3,7.435758829116821 115563,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-NFJBMHMQSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cecropia glaziovii,6110975.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Urticaceae'],['Unknown'],['Cecropia'],['Cecropia glaziovii'],4,3,7.435758829116821 115564,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-NFJBMHMQSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cecropia hololeuca,6110981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Urticaceae'],['Unknown'],['Cecropia'],['Cecropia hololeuca'],4,3,7.435758829116821 115565,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-NFJBMHMQSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Musanga cecropioides,4729816.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Urticaceae'],['Unknown'],['Musanga'],['Musanga cecropioides'],4,3,7.435758829116821 115566,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-VUGKQVTMSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Ficus carica,658505.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Ficus'],['Ficus carica'],4,3,7.435758829116821 115567,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-VUGKQVTMSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Persea americana,913249.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Persea'],['Persea americana'],4,3,7.435758829116821 115568,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-VUGKQVTMSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cicer arietinum,612429.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Cicereae'],['Cicer'],['Cicer arietinum'],4,3,7.435758829116821 115569,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-VUGKQVTMSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Chimarrhis turbinata,327026.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Condamineeae'],['Chimarrhis'],['Chimarrhis turbinata'],4,3,7.435758829116821 115570,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-VUGKQVTMSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Phaseolus vulgaris,825707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Phaseolus'],['Phaseolus vulgaris'],4,3,7.435758829116821 115571,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-VUGKQVTMSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],4,3,7.435758829116821 115572,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-VUGKQVTMSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Castanea,452591.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Fagaceae'],['Unknown'],['Castanea'],['Unknown'],4,3,7.435758829116821 115573,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-VUGKQVTMSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Mespilus germanica,941737.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Mespilus'],['Mespilus germanica'],4,3,7.435758829116821 115574,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-VUGKQVTMSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Pyrus communis,972654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus communis'],4,3,7.435758829116821 115575,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-VUGKQVTMSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Ribes rubrum,154642.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Grossulariaceae'],['Unknown'],['Ribes'],['Ribes rubrum'],4,3,7.435758829116821 115576,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-VUGKQVTMSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Diospyros kaki,352883.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ebenaceae'],['Unknown'],['Diospyros'],['Diospyros kaki'],4,3,7.435758829116821 115577,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-VUGKQVTMSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Musa,207473.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Musaceae'],['Unknown'],['Musa'],['Unknown'],4,3,7.435758829116821 115578,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-VUGKQVTMSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],4,3,7.435758829116821 115579,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-VUGKQVTMSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cucurbita pepo,379282.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cucurbitales'],['Cucurbitaceae'],['Cucurbiteae'],['Cucurbita'],['Cucurbita pepo'],4,3,7.435758829116821 115580,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-VUGKQVTMSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Rubus,972648.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Unknown'],4,3,7.435758829116821 115581,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-VUGKQVTMSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Lactuca sativa,515700.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Lactuca'],['Lactuca sativa'],4,3,7.435758829116821 115582,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-VUGKQVTMSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Zanthoxylum piperitum,164606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum piperitum'],4,3,7.435758829116821 115583,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-AVFWISQGSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Taxillus kaempferi,5746842.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Santalales'],['Loranthaceae'],['Lorantheae'],['Taxillus'],['Taxillus kaempferi'],4,3,7.435758829116821 115584,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-NFJBMHMQSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Uncaria sinensis,140015.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Naucleeae'],['Uncaria'],['Uncaria sinensis'],4,3,7.435758829116821 115585,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-UKWJTHFESA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Dioscorea bulbifera,856715.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dioscoreales'],['Dioscoreaceae'],['Unknown'],['Dioscorea'],['Dioscorea bulbifera'],4,3,7.435758829116821 115586,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-HNTGQZGLSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Dioscorea alata,46971.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dioscoreales'],['Dioscoreaceae'],['Unknown'],['Dioscorea'],['Dioscorea alata'],4,3,7.435758829116821 115587,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-AVFWISQGSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Rheum,279975.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Polygonaceae'],['Rumiceae'],['Rheum'],['Unknown'],4,3,7.435758829116821 115588,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-NFJBMHMQSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Fragaria vesca,852873.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Fragaria'],['Fragaria vesca'],4,3,7.435758829116821 115589,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-AVFWISQGSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Humulus lupulus,84020.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Cannabaceae'],['Unknown'],['Humulus'],['Humulus lupulus'],4,3,7.435758829116821 115590,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-UKWJTHFESA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Erythroxylum novogranatense,3915934.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Erythroxylaceae'],['Unknown'],['Erythroxylum'],['Erythroxylum novogranatense'],4,3,7.435758829116821 115591,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-AVFWISQGSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Quercus marilandica,137331.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Fagaceae'],['Unknown'],['Quercus'],['Quercus marilandica'],4,3,7.435758829116821 115592,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-AVFWISQGSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Salix caprea,218600.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Salicaceae'],['Saliceae'],['Salix'],['Salix caprea'],4,3,7.435758829116821 115593,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-NFJBMHMQSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Urceola micrantha,664896.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Apocyneae'],['Urceola'],['Urceola micrantha'],4,3,7.435758829116821 115594,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-NFJBMHMQSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Vaccinium macrocarpon,295602.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ericaceae'],['Vaccinieae'],['Vaccinium'],['Vaccinium macrocarpon'],4,3,7.435758829116821 115595,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-UHFFFAOYSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2",Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2c1c(O)cc(O)c2c1OC(c1ccc(O)c(O)c1)C(O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Lotus uliginosus,119025.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus uliginosus'],4,3,7.435758829116821 115596,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-UKWJTHFESA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cynomorium songaricum,982689.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Cynomoriaceae'],['Unknown'],['Cynomorium'],['Cynomorium songaricum'],4,3,7.435758829116821 115597,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-AVFWISQGSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Potentilla tormentilla,176693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla erecta'],4,3,7.435758829116821 115598,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-AVFWISQGSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Vigna angularis,1065959.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Vigna'],['Vigna angularis'],4,3,7.435758829116821 115599,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-AVFWISQGSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Lespedeza capitata,822724.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Desmodieae'],['Lespedeza'],['Lespedeza capitata'],4,3,7.435758829116821 115600,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-UHFFFAOYSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2",Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2c1c(O)cc(O)c2c1OC(c1ccc(O)c(O)c1)C(O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Chaenomeles sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],4,3,7.435758829116821 115601,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-UHFFFAOYSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2",Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2c1c(O)cc(O)c2c1OC(c1ccc(O)c(O)c1)C(O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Chaenomeles speciosa,371156.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles speciosa'],4,3,7.435758829116821 115602,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-UHFFFAOYSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2",Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2c1c(O)cc(O)c2c1OC(c1ccc(O)c(O)c1)C(O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Pseudocydonia sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],4,3,7.435758829116821 115603,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-UHFFFAOYSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2",Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2c1c(O)cc(O)c2c1OC(c1ccc(O)c(O)c1)C(O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Aster bellidiastrum,74627.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Aster'],['Aster bellidiastrum'],4,3,7.435758829116821 115604,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-UHFFFAOYSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2",Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2c1c(O)cc(O)c2c1OC(c1ccc(O)c(O)c1)C(O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Spatholobus suberectus,122721.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Spatholobus'],['Spatholobus suberectus'],4,3,7.435758829116821 115605,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-NFJBMHMQSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Apocynum venetum,716605.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Apocyneae'],['Apocynum'],['Apocynum venetum'],4,3,7.435758829116821 115606,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-NFJBMHMQSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Apocynum cannabinum,303938.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Apocyneae'],['Apocynum'],['Apocynum cannabinum'],4,3,7.435758829116821 115607,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-AVFWISQGSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Potentilla erecta,176693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla erecta'],4,3,7.435758829116821 115608,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-NFJBMHMQSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum cassia,130606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum aromaticum'],4,3,7.435758829116821 115609,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-UHFFFAOYSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2",Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2c1c(O)cc(O)c2c1OC(c1ccc(O)c(O)c1)C(O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Lotus pedunculatus,484501.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus pedunculatus'],4,3,7.435758829116821 115610,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-UKWJTHFESA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cola nitida,550770.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Cola'],['Cola nitida'],4,3,7.435758829116821 115611,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-AVFWISQGSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],4,3,7.435758829116821 115612,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-NFJBMHMQSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Averrhoa carambola,760798.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Oxalidales'],['Oxalidaceae'],['Unknown'],['Averrhoa'],['Averrhoa carambola'],4,3,7.435758829116821 115613,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-AVFWISQGSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Rosa cymosa,868176.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa cymosa'],4,3,7.435758829116821 115614,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-NFJBMHMQSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Platanus orientalis,787466.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Proteales'],['Platanaceae'],['Unknown'],['Platanus'],['Platanus orientalis'],4,3,7.435758829116821 115615,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-AVFWISQGSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Acacia baileyana,639792.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia baileyana'],4,3,7.435758829116821 115616,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-UKWJTHFESA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Pyrola incarnata,755285.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ericaceae'],['Pyroleae'],['Pyrola'],['Pyrola incarnata'],4,3,7.435758829116821 115617,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-UKWJTHFESA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Pyrola asarifolia,106222.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ericaceae'],['Pyroleae'],['Pyrola'],['Pyrola asarifolia'],4,3,7.435758829116821 115618,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-AVFWISQGSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Betula fruticosa,567485.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula fruticosa'],4,3,7.435758829116821 115619,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-AVFWISQGSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Betula ovalifolia,667695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ovalifolia'],4,3,7.435758829116821 115620,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-UKWJTHFESA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Alhagi sparsifolia,708291.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Hedysareae'],['Alhagi'],['Alhagi sparsifolia'],4,3,7.435758829116821 115621,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-NFJBMHMQSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Geranium sanguineum,793709.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Geraniales'],['Geraniaceae'],['Unknown'],['Geranium'],['Geranium sanguineum'],4,3,7.435758829116821 115622,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-UKWJTHFESA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Sideroxylon inerme,1077721.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Sapotaceae'],['Unknown'],['Sideroxylon'],['Sideroxylon inerme'],4,3,7.435758829116821 115623,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-AVFWISQGSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cornus kousa,22353.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus kousa'],4,3,7.435758829116821 115624,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-NFJBMHMQSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Lindera umbellata,545887.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera umbellata'],4,3,7.435758829116821 115625,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-NFJBMHMQSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Banisteriopsis caapi,917661.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Malpighiaceae'],['Unknown'],['Banisteriopsis'],['Banisteriopsis caapi'],4,3,7.435758829116821 115626,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-NFJBMHMQSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Melastoma candidum,1001988.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Melastomataceae'],['Melastomateae'],['Melastoma'],['Melastoma candidum'],4,3,7.435758829116821 115627,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-NFJBMHMQSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Melastoma septemnervium,577374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Melastomataceae'],['Melastomateae'],['Melastoma'],['Melastoma septemnervium'],4,3,7.435758829116821 115628,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-UHFFFAOYSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2",Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2c1c(O)cc(O)c2c1OC(c1ccc(O)c(O)c1)C(O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Litchi chinensis,343397.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Sapindaceae'],['Unknown'],['Litchi'],['Litchi chinensis'],4,3,7.435758829116821 115629,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-AVFWISQGSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Potentilla longifolia,809911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla longifolia'],4,3,7.435758829116821 115630,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-NFJBMHMQSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Fagopyrum esculentum,904381.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Polygonaceae'],['Fagopyreae'],['Fagopyrum'],['Fagopyrum esculentum'],4,3,7.435758829116821 115631,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-AVFWISQGSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Betula,267715.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Unknown'],4,3,7.435758829116821 115632,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-UKWJTHFESA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cola acuminata,1053097.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Cola'],['Cola acuminata'],4,3,7.435758829116821 115633,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-NFJBMHMQSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Hypericum perforatum,618681.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Hypericaceae'],['Hypericeae'],['Hypericum'],['Hypericum perforatum'],4,3,7.435758829116821 115634,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-NFJBMHMQSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Albizia lebbeck,555517.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Ingeae'],['Albizia'],['Albizia lebbeck'],4,3,7.435758829116821 115635,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-VUGKQVTMSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],4,3,7.435758829116821 115636,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-VUGKQVTMSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Monteverdia aquifolium,1060183.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Monteverdia'],['Monteverdia aquifolia'],4,3,7.435758829116821 115637,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-RBYKNZBFSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27-,28-,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cowania mexicana,3902519.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Purshia'],['Purshia mexicana'],4,3,7.435758829116821 115638,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-AVFWISQGSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Rhodiola semenovii,668902.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Rhodiola'],['Rhodiola semenovii'],4,3,7.435758829116821 115639,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-WQJHFXEDSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m0/s1",Oc1cc(O)c2c(c1)O[C@@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Byrsonima crassifolia,414971.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Malpighiaceae'],['Unknown'],['Byrsonima'],['Byrsonima crassifolia'],4,3,7.435758829116821 115640,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-AVFWISQGSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Archidendron jiringa,3919243.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Ingeae'],['Archidendron'],['Archidendron jiringa'],4,3,7.435758829116821 115641,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-AVFWISQGSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Camellia sinensis,1058509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Theaceae'],['Unknown'],['Camellia'],['Camellia sinensis'],4,3,7.435758829116821 115642,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-AVFWISQGSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Juglans sigillata,492312.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Juglandaceae'],['Unknown'],['Juglans'],['Juglans sigillata'],4,3,7.435758829116821 115643,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-UKWJTHFESA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Paeonia rockii,360650.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Paeoniaceae'],['Unknown'],['Paeonia'],['Paeonia rockii'],4,3,7.435758829116821 115644,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-UHFFFAOYSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2",Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2c1c(O)cc(O)c2c1OC(c1ccc(O)c(O)c1)C(O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Rosa multiflora,908464.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa multiflora'],4,3,7.435758829116821 115645,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-UKWJTHFESA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Quercus phillyraeoides,106844.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Fagaceae'],['Unknown'],['Quercus'],['Quercus phillyraeoides'],4,3,7.435758829116821 115646,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-HNTGQZGLSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Punica granatum,646814.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Lythraceae'],['Unknown'],['Punica'],['Punica granatum'],4,3,7.435758829116821 115647,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-VUGKQVTMSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Coleogyne ramosissima,817076.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Kerrieae'],['Coleogyne'],['Coleogyne ramosissima'],4,3,7.435758829116821 115648,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-NFJBMHMQSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Vismia baccifera,949350.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Hypericaceae'],['Vismieae'],['Vismia'],['Vismia baccifera'],4,3,7.435758829116821 115649,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-UKWJTHFESA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Platycodon grandiflorus,141088.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Campanulaceae'],['Unknown'],['Platycodon'],['Platycodon grandiflorus'],4,3,7.435758829116821 115650,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-UKWJTHFESA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Platycodon grandiflorum,141088.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Campanulaceae'],['Unknown'],['Platycodon'],['Platycodon grandiflorus'],4,3,7.435758829116821 115651,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-AVFWISQGSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Liquidambar styraciflua,62530.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Altingiaceae'],['Unknown'],['Liquidambar'],['Liquidambar styraciflua'],4,3,7.435758829116821 115652,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-AVFWISQGSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Quercus robur,239659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Fagaceae'],['Unknown'],['Quercus'],['Quercus robur'],4,3,7.435758829116821 115653,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-AVFWISQGSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Hamamelis virginiana,60713.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Hamamelidaceae'],['Unknown'],['Hamamelis'],['Hamamelis virginiana'],4,3,7.435758829116821 115654,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-VUGKQVTMSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Vicia faba,539544.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Fabeae'],['Vicia'],['Vicia faba'],4,3,7.435758829116821 115655,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-UKWJTHFESA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],4,3,7.435758829116821 115656,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-RBYKNZBFSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27-,28-,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Purshia mexicana,3902519.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Purshia'],['Purshia mexicana'],4,3,7.435758829116821 115657,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-NFJBMHMQSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Psorospermum febrifugum,273567.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Hypericaceae'],['Vismieae'],['Psorospermum'],['Psorospermum febrifugum'],4,3,7.435758829116821 115658,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-NFJBMHMQSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Fragaria,208027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Fragaria'],['Unknown'],4,3,7.435758829116821 115659,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-NFJBMHMQSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Rubus idaeus,156929.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus idaeus'],4,3,7.435758829116821 115660,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-UHFFFAOYSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2",Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2c1c(O)cc(O)c2c1OC(c1ccc(O)c(O)c1)C(O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Psidium guajava,339092.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Myrteae'],['Psidium'],['Psidium guajava'],4,3,7.435758829116821 115661,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-VUGKQVTMSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Vitis vinifera,756728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Vitales'],['Vitaceae'],['Viteae'],['Vitis'],['Vitis vinifera'],4,3,7.435758829116821 115662,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-AVFWISQGSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Lens culinaris,156245.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Fabeae'],['Lens'],['Lens culinaris'],4,3,7.435758829116821 115663,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-AVFWISQGSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Quercus dentata,429749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Fagaceae'],['Unknown'],['Quercus'],['Quercus dentata'],4,3,7.435758829116821 115664,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-NFJBMHMQSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],4,3,7.435758829116821 115665,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-AVFWISQGSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Oenothera biennis,12659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Onagraceae'],['Onagreae'],['Oenothera'],['Oenothera biennis'],4,3,7.435758829116821 115666,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-AVFWISQGSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Sanguisorba officinalis,964939.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Sanguisorba'],['Sanguisorba officinalis'],4,3,7.435758829116821 115667,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-VUGKQVTMSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Toona sinensis,358929.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Toona'],['Toona sinensis'],4,3,7.435758829116821 115668,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-UKWJTHFESA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Rhododendron dauricum,226740.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ericaceae'],['Rhodoreae'],['Rhododendron'],['Rhododendron dauricum'],4,3,7.435758829116821 115669,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-AVFWISQGSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Betula pubescens,456846.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pubescens'],4,3,7.435758829116821 115670,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-AVFWISQGSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Paeonia obovata,163406.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Paeoniaceae'],['Unknown'],['Paeonia'],['Paeonia obovata'],4,3,7.435758829116821 115671,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-AVFWISQGSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Quercus ilex,272692.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Fagaceae'],['Unknown'],['Quercus'],['Quercus ilex'],4,3,7.435758829116821 115672,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-UKWJTHFESA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Terminalia catappa,489597.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Combretaceae'],['Unknown'],['Terminalia'],['Terminalia catappa'],4,3,7.435758829116821 115673,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-NFJBMHMQSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Crataegus monogyna,653070.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus monogyna'],4,3,7.435758829116821 115674,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-NFJBMHMQSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Crataegus oxyacantha,547115.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus laevigata'],4,3,7.435758829116821 115675,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-AVFWISQGSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Calluna vulgaris,519874.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ericaceae'],['Ericeae'],['Calluna'],['Calluna vulgaris'],4,3,7.435758829116821 115676,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-UHFFFAOYSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2",Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2c1c(O)cc(O)c2c1OC(c1ccc(O)c(O)c1)C(O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Actinidia arguta,686875.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Actinidiaceae'],['Unknown'],['Actinidia'],['Actinidia arguta'],4,3,7.435758829116821 115677,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-NFJBMHMQSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],4,3,7.435758829116821 115678,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-VUGKQVTMSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Rosa henryi,868181.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa henryi'],4,3,7.435758829116821 115679,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-NFJBMHMQSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Rubus chamaemorus,902631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus chamaemorus'],4,3,7.435758829116821 115680,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-AVFWISQGSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Actinidia chinensis,279981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Actinidiaceae'],['Unknown'],['Actinidia'],['Actinidia chinensis'],4,3,7.435758829116821 115681,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-NFJBMHMQSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],4,3,7.435758829116821 115682,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-VUGKQVTMSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Croton lechleri,900868.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Crotoneae'],['Croton'],['Croton lechleri'],4,3,7.435758829116821 115683,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-NFJBMHMQSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Gymnosporia senegalensis,170566.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Gymnosporia'],['Gymnosporia senegalensis'],4,3,7.435758829116821 115684,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-AVFWISQGSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Bergenia purpurascens,985181.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Saxifragaceae'],['Unknown'],['Bergenia'],['Bergenia purpurascens'],4,3,7.435758829116821 115685,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-NFJBMHMQSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Aesculus hippocastanum,404238.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Sapindaceae'],['Hippocastaneae'],['Aesculus'],['Aesculus hippocastanum'],4,3,7.435758829116821 115686,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-UKWJTHFESA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Kandelia candel,973786.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Rhizophoraceae'],['Unknown'],['Kandelia'],['Kandelia candel'],4,3,7.435758829116821 115687,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-NFJBMHMQSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],4,3,7.435758829116821 115688,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-NFJBMHMQSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Iryanthera megistophylla,6028384.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Myristicaceae'],['Unknown'],['Iryanthera'],['Iryanthera megistophylla'],4,3,7.435758829116821 115689,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-UKWJTHFESA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Dioscorea cirrhosa,956703.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dioscoreales'],['Dioscoreaceae'],['Unknown'],['Dioscorea'],['Dioscorea cirrhosa'],4,3,7.435758829116821 115690,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-VUGKQVTMSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Trichilia catigua,5747805.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Trichilia'],['Trichilia catigua'],4,3,7.435758829116821 115691,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-UKWJTHFESA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Salix sieboldiana,5763613.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Salicaceae'],['Saliceae'],['Salix'],['Salix sieboldiana'],4,3,7.435758829116821 115692,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-VUGKQVTMSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Rumex acetosa,134757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Polygonaceae'],['Rumiceae'],['Rumex'],['Rumex acetosa'],4,3,7.435758829116821 115693,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-UKWJTHFESA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum burmanni,7589168.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum burmanni'],4,3,7.435758829116821 115694,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-UKWJTHFESA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum sieboldii,130590.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum sieboldii'],4,3,7.435758829116821 115695,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-NFJBMHMQSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Lotus corniculatus,183572.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus corniculatus'],4,3,7.435758829116821 115696,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-HNTGQZGLSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Uncaria gambir,3881130.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Naucleeae'],['Uncaria'],['Uncaria gambir'],4,3,7.435758829116821 115697,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-NFJBMHMQSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cryptocarya obovata,706090.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cryptocarya'],['Cryptocarya obovata'],4,3,7.435758829116821 115698,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-NFJBMHMQSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Begonia fagifolia,779892.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cucurbitales'],['Begoniaceae'],['Unknown'],['Begonia'],['Begonia fagifolia'],4,3,7.435758829116821 115699,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-NFJBMHMQSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cassia fistula,959676.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Cassia'],['Cassia fistula'],4,3,7.435758829116821 115700,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-NFJBMHMQSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],4,3,7.435758829116821 115701,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-NFJBMHMQSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Garcinia mangostana,766177.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Clusiaceae'],['Garcinieae'],['Garcinia'],['Garcinia mangostana'],4,3,7.435758829116821 115702,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-NFJBMHMQSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Rhizophora stylosa,1039502.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Rhizophoraceae'],['Unknown'],['Rhizophora'],['Rhizophora stylosa'],4,3,7.435758829116821 115703,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-UKWJTHFESA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Eucalyptus ovata,566584.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Eucalypteae'],['Eucalyptus'],['Eucalyptus ovata'],4,3,7.435758829116821 115704,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-UKWJTHFESA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Bischofia javanica,841356.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Bischofieae'],['Bischofia'],['Bischofia javanica'],4,3,7.435758829116821 115705,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-NFJBMHMQSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Ziziphus jujuba,73483.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Paliureae'],['Ziziphus'],['Ziziphus jujuba'],4,3,7.435758829116821 115706,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-UKWJTHFESA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Areca catechu,180819.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Arecales'],['Arecaceae'],['Areceae'],['Areca'],['Areca catechu'],4,3,7.435758829116821 115707,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-UHFFFAOYSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2",Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2c1c(O)cc(O)c2c1OC(c1ccc(O)c(O)c1)C(O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Chamaecrista kleinii,3916732.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Chamaecrista'],['Chamaecrista kleinii'],4,3,7.435758829116821 115708,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-NFJBMHMQSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Saxifraga stolonifera,816926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Saxifragaceae'],['Unknown'],['Saxifraga'],['Saxifraga stolonifera'],4,3,7.435758829116821 115709,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-NFJBMHMQSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Fallopia multiflora,361565.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Polygonaceae'],['Polygoneae'],['Fallopia'],['Fallopia multiflora'],4,3,7.435758829116821 115710,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-UKWJTHFESA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Illicium anisatum,1059410.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Austrobaileyales'],['Schisandraceae'],['Unknown'],['Illicium'],['Illicium anisatum'],4,3,7.435758829116821 115711,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-UKWJTHFESA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Quercus miyagii,239489.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Fagaceae'],['Unknown'],['Quercus'],['Quercus miyagii'],4,3,7.435758829116821 115712,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-NFJBMHMQSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Rhododendron,66726.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ericaceae'],['Rhodoreae'],['Rhododendron'],['Unknown'],4,3,7.435758829116821 115713,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-AVFWISQGSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Vaccinium vitis-idaea,242921.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ericaceae'],['Vaccinieae'],['Vaccinium'],['Vaccinium vitis-idaea'],4,3,7.435758829116821 115714,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-UHFFFAOYSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2",Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2c1c(O)cc(O)c2c1OC(c1ccc(O)c(O)c1)C(O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Pourouma cecropiifolia,6112346.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Urticaceae'],['Unknown'],['Pourouma'],['Pourouma cecropiifolia'],4,3,7.435758829116821 115715,4705,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4839397,ISDB,XFZJEEAOWLFHDH-NFJBMHMQSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Camellia reticulata,83755.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Theaceae'],['Unknown'],['Camellia'],['Camellia reticulata'],4,3,7.435758829116821 115527,4703,145,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,BKATZVAUANSCKN-QWRGUYRKSA-N,"InChI=1S/C12H18O2/c1-8(13)14-7-9-4-5-10-6-11(9)12(10,2)3/h4,10-11H,5-7H2,1-3H3/t10-,11-/m0/s1",CC(=O)OCC1=CC[C@H]2C[C@@H]1C2(C)C,C12H18O2,pos_2MCH3CNNa,194.130679816,BKATZVAUANSCKN,Terpenoids,Monoterpenoids,Pinane monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 115528,4703,145,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,PBWRFXQNNGSAQG-UHFFFAOYSA-N,"InChI=1S/C12H18O2/c1-7(2)12-5-10(12)8(3)11(6-12)14-9(4)13/h7,10-11H,3,5-6H2,1-2,4H3",C=C1C(OC(C)=O)CC2(C(C)C)CC12,C12H18O2,pos_2MCH3CNNa,194.130679816,PBWRFXQNNGSAQG,Terpenoids,Monoterpenoids,Thujane monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 115529,4703,145,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,ALVJDUNBMKMTDC-UHFFFAOYSA-N,"InChI=1S/C12H18O2/c1-12(2,3)10-8-9(13-4)6-7-11(10)14-5/h6-8H,1-5H3",COc1ccc(OC)c(C(C)(C)C)c1,C12H18O2,pos_2MCH3CNNa,194.130679816,ALVJDUNBMKMTDC,Shikimates and Phenylpropanoids,,,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 115530,4703,145,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,RWENJYLCELUBAE-UHFFFAOYSA-N,"InChI=1S/C12H18O2/c1-8(2)10-6-11(13-4)9(3)12(7-10)14-5/h6-8H,1-5H3",COc1cc(C(C)C)cc(OC)c1C,C12H18O2,pos_2MCH3CNNa,194.130679816,RWENJYLCELUBAE,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 115531,4703,145,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GVZSSHYAFJPRJY-GARJFASQSA-N,"InChI=1S/C12H18O2/c1-7-10-5-9(12(7,3)4)6-11(10)14-8(2)13/h9-11H,1,5-6H2,2-4H3/t9-,10-,11+/m0/s1",C=C1[C@@H]2C[C@@H](C[C@H]2OC(C)=O)C1(C)C,C12H18O2,pos_2MCH3CNNa,194.130679816,GVZSSHYAFJPRJY,Terpenoids,Monoterpenoids,Camphane monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 115532,4703,145,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,OZBFUQLOVFXDNK-VWYCJHECSA-N,"InChI=1S/C12H18O2/c1-7-5-11(14-8(2)13)10-6-9(7)12(10,3)4/h5,9-11H,6H2,1-4H3/t9-,10+,11+/m1/s1",CC(=O)O[C@H]1C=C(C)[C@H]2C[C@@H]1C2(C)C,C12H18O2,pos_2MCH3CNNa,194.130679816,OZBFUQLOVFXDNK,Terpenoids,Monoterpenoids,Pinane monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 115501,4700,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.0,MS1_match,PGOYMURMZNDHNS-MYPRUECHSA-N,"InChI=1S/C30H48O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O4,pos_1_1proton1ammonium,472.355260016,PGOYMURMZNDHNS,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis chinensis,841986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis chinensis'],8,2,9.0 115502,4700,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.0,MS1_match,PGOYMURMZNDHNS-MYPRUECHSA-N,"InChI=1S/C30H48O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O4,pos_1_1proton1ammonium,472.355260016,PGOYMURMZNDHNS,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis chinensis,841986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis chinensis'],8,2,9.0 115503,4700,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.0,MS1_match,PGOYMURMZNDHNS-MYPRUECHSA-N,"InChI=1S/C30H48O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O4,pos_1_1proton1ammonium,472.355260016,PGOYMURMZNDHNS,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis vitalba,756499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis vitalba'],8,2,9.0 115504,4700,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.0,MS1_match,PGOYMURMZNDHNS-MYPRUECHSA-N,"InChI=1S/C30H48O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O4,pos_1_1proton1ammonium,472.355260016,PGOYMURMZNDHNS,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis vitalba,756499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis vitalba'],8,2,9.0 115494,4698,545,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,0.0,MS1_match,DRAPQDCEBKBPQE-ACFZRETJSA-N,"InChI=1S/C26H32O12/c1-33-17-7-12(3-5-15(17)28)23-14-10-35-24(13-4-6-16(29)18(8-13)34-2)26(14,11-36-23)38-25-22(32)21(31)20(30)19(9-27)37-25/h3-8,14,19-25,27-32H,9-11H2,1-2H3/t14-,19-,20-,21+,22-,23-,24-,25+,26-/m1/s1",COc1cc([C@H]2OC[C@]3(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](c4ccc(O)c(OC)c4)OC[C@H]23)ccc1O,C26H32O12,pos_2_2proton2acetonitrile,536.1893764639999,DRAPQDCEBKBPQE,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 115495,4698,545,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,0.0,MS1_match,ORRYWOBRSQRASU-UHFFFAOYSA-N,"InChI=1S/C26H32O12/c1-33-17-7-12(3-5-15(17)28)23-14-10-35-24(26(14,32)11-36-23)13-4-6-16(18(8-13)34-2)37-25-22(31)21(30)20(29)19(9-27)38-25/h3-8,14,19-25,27-32H,9-11H2,1-2H3",COc1cc(C2OCC3(O)C(c4ccc(OC5OC(CO)C(O)C(O)C5O)c(OC)c4)OCC23)ccc1O,C26H32O12,pos_2_2proton2acetonitrile,536.189376464,ORRYWOBRSQRASU,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 115496,4698,545,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,0.0,MS1_match,ORRYWOBRSQRASU-UHFFFAOYSA-N,"InChI=1S/C26H32O12/c1-33-17-7-12(3-5-15(17)28)23-14-10-35-24(26(14,32)11-36-23)13-4-6-16(18(8-13)34-2)37-25-22(31)21(30)20(29)19(9-27)38-25/h3-8,14,19-25,27-32H,9-11H2,1-2H3",COc1cc(C2OCC3(O)C(c4ccc(OC5OC(CO)C(O)C(O)C5O)c(OC)c4)OCC23)ccc1O,C26H32O12,pos_2_2proton2acetonitrile,536.189376464,ORRYWOBRSQRASU,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 115497,4698,545,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,0.0,MS1_match,GQLQVPZSTWXDBQ-ZOKOZUFBSA-N,"InChI=1S/C26H32O12/c1-33-17-8-13(3-5-15(17)28)24-26(32)11-36-23(14(26)10-35-24)12-4-6-16(18(7-12)34-2)37-25-22(31)21(30)20(29)19(9-27)38-25/h3-8,14,19-25,27-32H,9-11H2,1-2H3/t14-,19-,20-,21+,22-,23-,24-,25-,26-/m1/s1",COc1cc([C@H]2OC[C@@H]3[C@@H](c4ccc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)c(OC)c4)OC[C@]23O)ccc1O,C26H32O12,pos_2_2proton2acetonitrile,536.1893764639998,GQLQVPZSTWXDBQ,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Valeriana prionophylla,526653.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana prionophylla'],6,0,6.0 115498,4698,545,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,0.0,MS1_match,KPZWNZOLVDRTMM-YRDWWIAGSA-N,"InChI=1S/C26H32O12/c1-33-18-8-13(3-5-16(18)28)23-26(32)11-36-22(15(26)10-35-23)12-4-6-17(19(7-12)34-2)37-25-14(9-27)20(29)21(30)24(31)38-25/h3-8,14-15,20-25,27-32H,9-11H2,1-2H3/t14-,15-,20-,21+,22-,23-,24+,25+,26-/m1/s1",COc1cc([C@H]2OC[C@@H]3[C@@H](c4ccc(O[C@H]5O[C@H](O)[C@@H](O)[C@H](O)[C@H]5CO)c(OC)c4)OC[C@]23O)ccc1O,C26H32O12,pos_2_2proton2acetonitrile,536.189376464,KPZWNZOLVDRTMM,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Valeriana prionophylla,526653.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana prionophylla'],6,0,6.0 115491,4697,22,Polyketides,Aromatic polyketides,Catechols with side chains,0.3956951,ISDB,ZWERVKPIXLXNTP-YXDDMCJOSA-N,"InChI=1S/C30H48O8/c1-3-21(2)25(37-30-29(36)28(35)27(34)26(20-31)38-30)16-14-12-10-8-6-4-5-7-9-11-13-15-22-17-23(32)19-24(33)18-22/h5,7,9,11,17-19,21,25-36H,3-4,6,8,10,12-16,20H2,1-2H3/b7-5+,11-9+/t21-,25+,26+,27+,28-,29+,30-/m0/s1",CC[C@H](C)[C@@H](CCCCCCC/C=C/C=C/CCc1cc(O)cc(O)c1)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C30H48O8,,536.3349184959998,ZWERVKPIXLXNTP,Polyketides,Aromatic polyketides,Depsides,Penicillium simplicissimum,968742.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Penicillium'],['Penicillium simplicissimum'],1,2,3.582780361175537 115492,4697,22,Polyketides,Aromatic polyketides,Catechols with side chains,0.3956951,ISDB,ZWERVKPIXLXNTP-YXDDMCJOSA-N,"InChI=1S/C30H48O8/c1-3-21(2)25(37-30-29(36)28(35)27(34)26(20-31)38-30)16-14-12-10-8-6-4-5-7-9-11-13-15-22-17-23(32)19-24(33)18-22/h5,7,9,11,17-19,21,25-36H,3-4,6,8,10,12-16,20H2,1-2H3/b7-5+,11-9+/t21-,25+,26+,27+,28-,29+,30-/m0/s1",CC[C@H](C)[C@@H](CCCCCCC/C=C/C=C/CCc1cc(O)cc(O)c1)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C30H48O8,,536.3349184959998,ZWERVKPIXLXNTP,Polyketides,Aromatic polyketides,Depsides,Penicillium janthinellum,226477.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Penicillium'],['Penicillium janthinellum'],1,2,3.582780361175537 115493,4697,22,Polyketides,Aromatic polyketides,Catechols with side chains,0.3956951,ISDB,ZWERVKPIXLXNTP-YXDDMCJOSA-N,"InChI=1S/C30H48O8/c1-3-21(2)25(37-30-29(36)28(35)27(34)26(20-31)38-30)16-14-12-10-8-6-4-5-7-9-11-13-15-22-17-23(32)19-24(33)18-22/h5,7,9,11,17-19,21,25-36H,3-4,6,8,10,12-16,20H2,1-2H3/b7-5+,11-9+/t21-,25+,26+,27+,28-,29+,30-/m0/s1",CC[C@H](C)[C@@H](CCCCCCC/C=C/C=C/CCc1cc(O)cc(O)c1)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C30H48O8,,536.3349184959998,ZWERVKPIXLXNTP,Polyketides,Aromatic polyketides,Depsides,Penicillium ianthinellum,82948.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Penicillium'],['Penicillium ianthinellum'],1,2,3.582780361175537 115490,4696,-1,,,,0.41661578,ISDB,,,,,,,HNLWVJBFVNDZQJ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.6664631366729736 115454,4694,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.5313104,ISDB,CMXCLTFHXRTSPB-WIXFNSMHSA-N,"InChI=1S/C30H44O2/c1-18(2)9-7-10-19(3)23-14-22-16-30(25(23)13-21(22)5)26-15-24-20(4)11-8-12-29(24,6)17-27(26)32-28(30)31/h9,13,15,19-20,22-23,25-27H,7-8,10-12,14,16-17H2,1-6H3/t19-,20-,22+,23-,25-,26-,27+,29+,30-/m0/s1",CC(C)=CCC[C@H](C)[C@@H]1C[C@@H]2C[C@]3(C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)C5=C[C@@H]43)[C@H]1C=C2C,C30H44O2,,436.334130648,CMXCLTFHXRTSPB,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Helenium autumnale,483908.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Helenieae'],['Helenium'],['Helenium autumnale'],4,2,7.12524151802063 115320,4692,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.31752244,ISDB,BFSRJRKZZSIEFP-MOHLSBLISA-N,"InChI=1S/C30H46O2/c1-24(2)14-16-29-17-15-28(7)27(6)12-8-20-25(3,4)23(31)10-11-26(20,5)21(27)9-13-30(28,32-19-29)22(29)18-24/h9,13,20-22H,8,10-12,14-19H2,1-7H3/t20-,21-,22-,26+,27-,28+,29-,30-/m1/s1",CC1(C)CC[C@@]23CC[C@@]4(C)[C@]5(C)CC[C@@H]6C(C)(C)C(=O)CC[C@]6(C)[C@H]5C=C[C@@]4(OC2)[C@@H]3C1,C30H46O2,,438.349780712,BFSRJRKZZSIEFP,Terpenoids,Triterpenoids,Oleanane triterpenoids,Viburnum odoratissimum var. awabuki,90825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Adoxaceae'],['Unknown'],['Viburnum'],['Viburnum awabuki'],5,3,7.770089745521545 115307,4686,1241,Fatty acids,Diterpenoids,Ceramides,0.6686419,ISDB,IRJHFRKRPYTYCQ-UAYKKUFWSA-N,"InChI=1S/C25H50O/c1-21(2)11-7-12-22(3)13-8-14-23(4)15-9-16-24(5)17-10-18-25(6)19-20-26/h19,21-24,26H,7-18,20H2,1-6H3/b25-19-/t22-,23-,24-/m1/s1",C/C(=C/CO)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C,C25H50O,,366.38616622,IRJHFRKRPYTYCQ,Terpenoids,Diterpenoids,Phytane diterpenoids,Croton hieronymi,3913472.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Crotoneae'],['Croton'],['Croton hieronymi'],4,2,7.674567699432373 115303,4681,147,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,HPJJCRNQEWRFQW-ILXVDBEPSA-N,"InChI=1S/C18H22O9/c1-2-26-17(24)18(25)8-13(21)16(14(22)9-18)27-15(23)6-4-10-3-5-11(19)12(20)7-10/h3-7,13-14,16,19-22,25H,2,8-9H2,1H3/t13-,14-,16-,18+/m0/s1",CCOC(=O)[C@]1(O)C[C@H](O)[C@@H](OC(=O)C=Cc2ccc(O)c(O)c2)[C@@H](O)C1,C18H22O9,pos_1_1proton1acetonitrile,382.126382284,HPJJCRNQEWRFQW,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera bournei,5746380.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera bournei'],7,3,8.5 115304,4681,147,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CPYDMLXRLHYXSV-UNKAVFLYSA-N,"InChI=1S/C18H22O9/c1-25-13-7-10(3-5-11(13)19)4-6-15(21)27-14-9-18(24,17(23)26-2)8-12(20)16(14)22/h3-7,12,14,16,19-20,22,24H,8-9H2,1-2H3/b6-4+/t12-,14-,16-,18+/m0/s1",COC(=O)[C@]1(O)C[C@H](OC(=O)/C=C/c2ccc(O)c(OC)c2)[C@@H](O)[C@@H](O)C1,C18H22O9,pos_1_1proton1acetonitrile,382.126382284,CPYDMLXRLHYXSV,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera bournei,5746380.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera bournei'],7,3,8.5 115305,4681,147,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,LEUHYTKFUDEERH-NBJMIBJLSA-N,"InChI=1S/C18H22O9/c1-2-26-17(24)18(25)8-13(21)16(23)14(9-18)27-15(22)6-4-10-3-5-11(19)12(20)7-10/h3-7,13-14,16,19-21,23,25H,2,8-9H2,1H3/b6-4+/t13-,14-,16-,18+/m0/s1",CCOC(=O)[C@]1(O)C[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](O)[C@@H](O)C1,C18H22O9,pos_1_1proton1acetonitrile,382.126382284,LEUHYTKFUDEERH,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera bournei,5746380.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera bournei'],7,3,8.5 115306,4681,147,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,LEUHYTKFUDEERH-NBJMIBJLSA-N,"InChI=1S/C18H22O9/c1-2-26-17(24)18(25)8-13(21)16(23)14(9-18)27-15(22)6-4-10-3-5-11(19)12(20)7-10/h3-7,13-14,16,19-21,23,25H,2,8-9H2,1H3/b6-4+/t13-,14-,16-,18+/m0/s1",CCOC(=O)[C@]1(O)C[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](O)[C@@H](O)C1,C18H22O9,pos_1_1proton1acetonitrile,382.126382284,LEUHYTKFUDEERH,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera bournei,5746380.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera bournei'],7,3,8.5 115300,4680,-1,,,,0.0,MS1_match,JVAVVXRDSNKYPD-UHFFFAOYSA-N,"InChI=1S/C15H20O4/c1-9-4-3-5-11(15(17)18)7-12-8-13(12)14(6-9)19-10(2)16/h4,7,12-14H,3,5-6,8H2,1-2H3,(H,17,18)",CC(=O)OC1CC(C)=CCCC(C(=O)O)=CC2CC21,C15H20O4,pos_1_1proton1methanol,264.13615912,JVAVVXRDSNKYPD,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 115301,4680,-1,,,,0.0,MS1_match,JVAVVXRDSNKYPD-UHFFFAOYSA-N,"InChI=1S/C15H20O4/c1-9-4-3-5-11(15(17)18)7-12-8-13(12)14(6-9)19-10(2)16/h4,7,12-14H,3,5-6,8H2,1-2H3,(H,17,18)",CC(=O)OC1CC(C)=CCCC(C(=O)O)=CC2CC21,C15H20O4,pos_1_1proton1methanol,264.13615912,JVAVVXRDSNKYPD,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,Valeriana dageletiana,7625130.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana dageletiana'],6,0,6.0 115302,4680,-1,,,,0.0,MS1_match,GYTISTMGTHKMCE-RMHXPDDSSA-N,"InChI=1S/C15H20O4/c1-7-5-8(16)6-9-10(17)11-12(19-11)13(14(2,3)18)15(7,9)4/h6-7,11-13,18H,5H2,1-4H3/t7-,11-,12-,13+,15+/m1/s1",C[C@@H]1CC(=O)C=C2C(=O)[C@H]3O[C@H]3[C@@H](C(C)(C)O)[C@]21C,C15H20O4,pos_1_1proton1methanol,264.13615912,GYTISTMGTHKMCE,Terpenoids,Sesquiterpenoids,Nardosinane sesquiterpenoids,Nardostachys jatamansi,24101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Nardostachys'],['Nardostachys jatamansi'],6,0,6.0 115299,4678,29,Terpenoids,Triterpenoids,"Carotenoids (C40, Ψ-Ψ)",0.20173518,ISDB,,,,,,,IDYUGMBNBDIUCX,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.8069407343864441 115124,4676,521,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.6526342,ISDB,QSWUCBJNTODEKO-UHFFFAOYSA-N,"InChI=1S/C21H22O11/c22-7-14-16(27)17(28)18(29)21(31-14)32-20-15(26)10-3-2-9(23)6-13(10)30-19(20)8-1-4-11(24)12(25)5-8/h1-6,14,16-25,27-29H,7H2",O=C1c2ccc(O)cc2OC(c2ccc(O)c(O)c2)C1OC1OC(CO)C(O)C(O)C1O,C21H22O11,,450.116211524,QSWUCBJNTODEKO,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Baptisia lecontei,3928764.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Baptisia'],['Baptisia lecontei'],4,3,8.110536813735962 115122,4672,-1,,,,0.0,MS1_match,WKOLLVMJNQIZCI-UHFFFAOYSA-N,"InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)",COc1cc(C(=O)O)ccc1O,C8H8O4,pos_2MHNH3,168.042258736,WKOLLVMJNQIZCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Dipsacus inermis,776357.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Dipsacus'],['Dipsacus inermis'],6,0,6.0 115123,4672,-1,,,,0.0,MS1_match,WKOLLVMJNQIZCI-UHFFFAOYSA-N,"InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)",COc1cc(C(=O)O)ccc1O,C8H8O4,pos_2MHNH3,168.042258736,WKOLLVMJNQIZCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Dipsacus asper,365911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Dipsacus'],['Dipsacus asper'],6,0,6.0 115120,4668,-1,,,,0.3905668,ISDB,OEKUSRBIIZNLHZ-QHLUWSNTSA-N,"InChI=1S/C24H38O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-14,16-20,22,26-27H,4-12H2,1-3H3,(H,28,29)/t13-,14?,16?,17?,18?,19-,20+,22?,23+,24-/m1/s1",C[C@H](CCC(=O)O)C1CCC2C3C(C[C@H](O)[C@@]21C)[C@@]1(C)CCC(=O)CC1C[C@H]3O,C24H38O5,,406.271924316,OEKUSRBIIZNLHZ,Terpenoids,Steroids,Cholane steroids,Psychrobacter,1082389.0,['Bacteria'],['Unknown'],['Proteobacteria'],['Gammaproteobacteria'],['Pseudomonadales'],['Moraxellaceae'],['Unknown'],['Psychrobacter'],['Unknown'],0,0,1.5622671842575073 115121,4668,-1,,,,0.3905668,ISDB,OEKUSRBIIZNLHZ-DJDNIQJZSA-N,"InChI=1S/C24H38O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-14,16-20,22,26-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1",C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,C24H38O5,,406.271924316,OEKUSRBIIZNLHZ,Terpenoids,Steroids,Cholane steroids,Nocardioides simplex,647773.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Propionibacteriales'],['Nocardioidaceae'],['Unknown'],['Nocardioides'],['Pimelobacter simplex'],0,0,1.5622671842575073 115091,4666,1372,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.0,MS1_match,YGSBJLPWANWGED-HYXYOFMCSA-N,"InChI=1S/C48H78O18/c1-22-30(52)32(54)35(57)40(62-22)65-38-25(19-49)63-39(37(59)34(38)56)61-20-26-31(53)33(55)36(58)41(64-26)66-42(60)48-16-14-43(2,3)18-24(48)23-8-9-28-44(4)12-11-29(51)45(5,21-50)27(44)10-13-47(28,7)46(23,6)15-17-48/h8,22,24-41,49-59H,9-21H2,1-7H3/t22-,24-,25+,26+,27+,28+,29-,30-,31+,32+,33-,34+,35+,36+,37+,38+,39+,40-,41-,44-,45-,46+,47+,48-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C4=CC[C@@H]6[C@@]7(C)CC[C@H](O)[C@@](C)(CO)[C@@H]7CC[C@@]6(C)[C@]4(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O,C48H78O18,pos_3_3proton,942.5188156560004,YGSBJLPWANWGED,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis chinensis,841986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis chinensis'],9,1,9.5 115088,4665,-1,,,,0.0,MS1_match,PGYAYSRVSAJXTE-CLONMANBSA-N,"InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-22-35-36(5,6)25-33(41)27-38(35,9)43)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)26-34(42)28-39(40,10)44-40/h11-21,23-24,33-34,41-43H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20+/t22?,33-,34-,38+,39+,40-/m0/s1",C/C(C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C,C40H56O4,pos_1_sodium,600.417860272,PGYAYSRVSAJXTE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Trollius europaeus,805006.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Adonideae'],['Trollius'],['Trollius europaeus'],6,0,6.0 115089,4665,-1,,,,0.0,MS1_match,ZVKXPPXCNUMUOR-WYZRDEAWSA-N,"InChI=1S/C40H56O4/c1-28(17-13-18-30(3)21-22-35-37(5,6)24-32(41)26-39(35,9)43)15-11-12-16-29(2)19-14-20-31(4)34-23-36-38(7,8)25-33(42)27-40(36,10)44-34/h11-21,23,32-34,41-43H,24-27H2,1-10H3/b12-11+,17-13+,19-14+,28-15+,29-16+,30-18+,31-20-/t22?,32-,33-,34?,39+,40+/m0/s1",C/C(=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O)C1C=C2C(C)(C)C[C@H](O)C[C@@]2(C)O1,C40H56O4,pos_1_sodium,600.417860272,ZVKXPPXCNUMUOR,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Ranunculus acris,387818.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus acris'],6,0,6.0 115090,4665,-1,,,,0.0,MS1_match,IPEHJNRNYPOFII-UHFFFAOYSA-N,"InChI=1S/C20H28O2/c1-12(2)13-9-14-15(10-16(13)21)20(5)8-6-7-19(3,4)18(20)11-17(14)22/h9-10,12,18,21H,6-8,11H2,1-5H3",CC(C)c1cc2c(cc1O)C1(C)CCCC(C)(C)C1CC2=O,C20H28O2,pos_2MNa,300.208930136,IPEHJNRNYPOFII,Terpenoids,Diterpenoids,Abietane diterpenoids,Delphinium cyphoplectrum,309504.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium cyphoplectrum'],6,0,6.0 115080,4664,1241,Fatty acids,Diterpenoids,Ceramides,0.5450342,ISDB,,,,,,,PKGTXGSNXHEECJ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.1801369190216064 115031,4660,1376,Terpenoids,Steroids,Cholestane steroids,0.0,MS1_match,UPJVQRZPXLZUET-KGHQQZOUSA-N,"InChI=1S/C28H46O3/c1-18(2)19(3)7-8-20(4)22-9-10-23-25(22,5)13-12-24-26(6)14-11-21(29)17-27(26,30)15-16-28(23,24)31/h7-8,15-16,18-24,29-31H,9-14,17H2,1-6H3/b8-7+/t19-,20+,21-,22+,23+,24+,25+,26+,27+,28-/m0/s1",CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@]3(O)C=C[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C28H46O3,pos_1_1proton1methanol,430.344695332,UPJVQRZPXLZUET,Terpenoids,Steroids,Cholestane steroids,Patrinia rupestris,1035977.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia rupestris'],6,3,7.5 115027,4653,280,Alkaloids,Monoterpenoids,Terpenoid alkaloids,0.0,MS1_match,ATFJUGCMEQBNLH-UHFFFAOYSA-N,"InChI=1S/C10H14O5/c1-10-6(12)2-4-5(3-11)9(15-10)14-8(13)7(4)10/h4-7,9,11-12H,2-3H2,1H3",CC12OC3OC(=O)C1C(CC2O)C3CO,C10H14O5,pos_1_1sodium1acetonitrile,214.084123548,ATFJUGCMEQBNLH,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,2,7.0 115021,4652,-1,,,,0.0,MS1_match,IGODOXYLBBXFDW-NSHDSACASA-N,"InChI=1S/C12H20O2/c1-9-5-7-11(8-6-9)12(3,4)14-10(2)13/h5,11H,6-8H2,1-4H3/t11-/m0/s1",CC(=O)OC(C)(C)[C@H]1CC=C(C)CC1,C12H20O2,pos_2MHCH3CN,196.14632988,IGODOXYLBBXFDW,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 115022,4652,-1,,,,0.0,MS1_match,KGEKLUUHTZCSIP-UHFFFAOYSA-N,"InChI=1S/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3",CC(=O)OC1CC2CCC1(C)C2(C)C,C12H20O2,pos_2MHCH3CN,196.14632988,KGEKLUUHTZCSIP,Terpenoids,Monoterpenoids,Camphane monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 115023,4652,-1,,,,0.0,MS1_match,KGEKLUUHTZCSIP-UHFFFAOYSA-N,"InChI=1S/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3",CC(=O)OC1CC2CCC1(C)C2(C)C,C12H20O2,pos_2MHCH3CN,196.14632988,KGEKLUUHTZCSIP,Terpenoids,Monoterpenoids,Camphane monoterpenoids,Valeriana celtica,21455.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana celtica'],6,0,6.0 115024,4652,-1,,,,0.0,MS1_match,KGEKLUUHTZCSIP-HOSYDEDBSA-N,"InChI=1S/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3/t9-,10+,12+/m0/s1",CC(=O)O[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C,C12H20O2,pos_2MHCH3CN,196.14632988,KGEKLUUHTZCSIP,Terpenoids,Monoterpenoids,Camphane monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,0,6.0 115025,4652,-1,,,,0.0,MS1_match,KGEKLUUHTZCSIP-HOSYDEDBSA-N,"InChI=1S/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3/t9-,10+,12+/m0/s1",CC(=O)O[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C,C12H20O2,pos_2MHCH3CN,196.14632988,KGEKLUUHTZCSIP,Terpenoids,Monoterpenoids,Camphane monoterpenoids,Valeriana hardwickii,139324.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana hardwickii'],6,0,6.0 115026,4652,-1,,,,0.0,MS1_match,KGEKLUUHTZCSIP-HOSYDEDBSA-N,"InChI=1S/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3/t9-,10+,12+/m0/s1",CC(=O)O[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C,C12H20O2,pos_2MHCH3CN,196.14632988,KGEKLUUHTZCSIP,Terpenoids,Monoterpenoids,Camphane monoterpenoids,Valeriana moonii,139324.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana hardwickii'],6,0,6.0 115019,4651,-1,,,,0.51270854,ISDB,,,,,,,JQSVUYIPZVCSHT,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.0508341789245605 114990,4647,30,Alkaloids,Tyrosine alkaloids,Cinnamic acid amides,0.69817317,ISDB,IEDBNTAKVGBZEP-VMPITWQZSA-N,"InChI=1S/C19H21NO5/c1-24-16-11-14(12-17(25-2)19(16)23)5-8-18(22)20-10-9-13-3-6-15(21)7-4-13/h3-8,11-12,21,23H,9-10H2,1-2H3,(H,20,22)/b8-5+",COc1cc(/C=C/C(=O)NCCc2ccc(O)cc2)cc(OC)c1O,C19H21NO5,,343.141972772,IEDBNTAKVGBZEP,Amino acids and Peptides,Phenylpropanoids (C6-C3),Cinnamic acid amides,Illigera luzonensis,730771.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Hernandiaceae'],['Unknown'],['Illigera'],['Illigera luzonensis'],4,3,8.2926926612854 114991,4647,30,Alkaloids,Tyrosine alkaloids,Cinnamic acid amides,0.69817317,ISDB,IEDBNTAKVGBZEP-VMPITWQZSA-N,"InChI=1S/C19H21NO5/c1-24-16-11-14(12-17(25-2)19(16)23)5-8-18(22)20-10-9-13-3-6-15(21)7-4-13/h3-8,11-12,21,23H,9-10H2,1-2H3,(H,20,22)/b8-5+",COc1cc(/C=C/C(=O)NCCc2ccc(O)cc2)cc(OC)c1O,C19H21NO5,,343.141972772,IEDBNTAKVGBZEP,Amino acids and Peptides,Phenylpropanoids (C6-C3),Cinnamic acid amides,Mitrephora thorelii,5700180.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Miliuseae'],['Mitrephora'],['Mitrephora thorelii'],4,3,8.2926926612854 114992,4647,30,Alkaloids,Tyrosine alkaloids,Cinnamic acid amides,0.69817317,ISDB,IEDBNTAKVGBZEP-VMPITWQZSA-N,"InChI=1S/C19H21NO5/c1-24-16-11-14(12-17(25-2)19(16)23)5-8-18(22)20-10-9-13-3-6-15(21)7-4-13/h3-8,11-12,21,23H,9-10H2,1-2H3,(H,20,22)/b8-5+",COc1cc(/C=C/C(=O)NCCc2ccc(O)cc2)cc(OC)c1O,C19H21NO5,,343.141972772,IEDBNTAKVGBZEP,Amino acids and Peptides,Phenylpropanoids (C6-C3),Cinnamic acid amides,Mitrephora tomentosa,3867458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Miliuseae'],['Mitrephora'],['Mitrephora tomentosa'],4,3,8.2926926612854 114993,4647,30,Alkaloids,Tyrosine alkaloids,Cinnamic acid amides,0.69817317,ISDB,IEDBNTAKVGBZEP-VMPITWQZSA-N,"InChI=1S/C19H21NO5/c1-24-16-11-14(12-17(25-2)19(16)23)5-8-18(22)20-10-9-13-3-6-15(21)7-4-13/h3-8,11-12,21,23H,9-10H2,1-2H3,(H,20,22)/b8-5+",COc1cc(/C=C/C(=O)NCCc2ccc(O)cc2)cc(OC)c1O,C19H21NO5,,343.141972772,IEDBNTAKVGBZEP,Amino acids and Peptides,Phenylpropanoids (C6-C3),Cinnamic acid amides,Polyalthia longifolia,204189.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Miliuseae'],['Monoon'],['Monoon longifolium'],4,3,8.2926926612854 114994,4647,30,Alkaloids,Tyrosine alkaloids,Cinnamic acid amides,0.69817317,ISDB,IEDBNTAKVGBZEP-VMPITWQZSA-N,"InChI=1S/C19H21NO5/c1-24-16-11-14(12-17(25-2)19(16)23)5-8-18(22)20-10-9-13-3-6-15(21)7-4-13/h3-8,11-12,21,23H,9-10H2,1-2H3,(H,20,22)/b8-5+",COc1cc(/C=C/C(=O)NCCc2ccc(O)cc2)cc(OC)c1O,C19H21NO5,,343.141972772,IEDBNTAKVGBZEP,Amino acids and Peptides,Phenylpropanoids (C6-C3),Cinnamic acid amides,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],4,3,8.2926926612854 114995,4647,30,Alkaloids,Tyrosine alkaloids,Cinnamic acid amides,0.69817317,ISDB,IEDBNTAKVGBZEP-VMPITWQZSA-N,"InChI=1S/C19H21NO5/c1-24-16-11-14(12-17(25-2)19(16)23)5-8-18(22)20-10-9-13-3-6-15(21)7-4-13/h3-8,11-12,21,23H,9-10H2,1-2H3,(H,20,22)/b8-5+",COc1cc(/C=C/C(=O)NCCc2ccc(O)cc2)cc(OC)c1O,C19H21NO5,,343.141972772,IEDBNTAKVGBZEP,Amino acids and Peptides,Phenylpropanoids (C6-C3),Cinnamic acid amides,Peperomia heyneana,6029503.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Peperomia'],['Peperomia heyneana'],4,3,8.2926926612854 114996,4647,30,Alkaloids,Tyrosine alkaloids,Cinnamic acid amides,0.69817317,ISDB,IEDBNTAKVGBZEP-VMPITWQZSA-N,"InChI=1S/C19H21NO5/c1-24-16-11-14(12-17(25-2)19(16)23)5-8-18(22)20-10-9-13-3-6-15(21)7-4-13/h3-8,11-12,21,23H,9-10H2,1-2H3,(H,20,22)/b8-5+",COc1cc(/C=C/C(=O)NCCc2ccc(O)cc2)cc(OC)c1O,C19H21NO5,,343.141972772,IEDBNTAKVGBZEP,Amino acids and Peptides,Phenylpropanoids (C6-C3),Cinnamic acid amides,Lindera glauca,157205.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera glauca'],4,3,8.2926926612854 114997,4647,30,Alkaloids,Tyrosine alkaloids,Cinnamic acid amides,0.69817317,ISDB,IEDBNTAKVGBZEP-VMPITWQZSA-N,"InChI=1S/C19H21NO5/c1-24-16-11-14(12-17(25-2)19(16)23)5-8-18(22)20-10-9-13-3-6-15(21)7-4-13/h3-8,11-12,21,23H,9-10H2,1-2H3,(H,20,22)/b8-5+",COc1cc(/C=C/C(=O)NCCc2ccc(O)cc2)cc(OC)c1O,C19H21NO5,,343.141972772,IEDBNTAKVGBZEP,Amino acids and Peptides,Phenylpropanoids (C6-C3),Cinnamic acid amides,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],4,3,8.2926926612854 114998,4647,30,Alkaloids,Tyrosine alkaloids,Cinnamic acid amides,0.69817317,ISDB,IEDBNTAKVGBZEP-VMPITWQZSA-N,"InChI=1S/C19H21NO5/c1-24-16-11-14(12-17(25-2)19(16)23)5-8-18(22)20-10-9-13-3-6-15(21)7-4-13/h3-8,11-12,21,23H,9-10H2,1-2H3,(H,20,22)/b8-5+",COc1cc(/C=C/C(=O)NCCc2ccc(O)cc2)cc(OC)c1O,C19H21NO5,,343.141972772,IEDBNTAKVGBZEP,Amino acids and Peptides,Phenylpropanoids (C6-C3),Cinnamic acid amides,Litsea hypophaea,559683.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea hypophaea'],4,3,8.2926926612854 114999,4647,30,Alkaloids,Tyrosine alkaloids,Cinnamic acid amides,0.69817317,ISDB,IEDBNTAKVGBZEP-VMPITWQZSA-N,"InChI=1S/C19H21NO5/c1-24-16-11-14(12-17(25-2)19(16)23)5-8-18(22)20-10-9-13-3-6-15(21)7-4-13/h3-8,11-12,21,23H,9-10H2,1-2H3,(H,20,22)/b8-5+",COc1cc(/C=C/C(=O)NCCc2ccc(O)cc2)cc(OC)c1O,C19H21NO5,,343.141972772,IEDBNTAKVGBZEP,Amino acids and Peptides,Phenylpropanoids (C6-C3),Cinnamic acid amides,Porcelia macrocarpa,3867661.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Bocageeae'],['Porcelia'],['Porcelia macrocarpa'],4,3,8.2926926612854 115000,4647,30,Alkaloids,Tyrosine alkaloids,Cinnamic acid amides,0.69817317,ISDB,IEDBNTAKVGBZEP-VMPITWQZSA-N,"InChI=1S/C19H21NO5/c1-24-16-11-14(12-17(25-2)19(16)23)5-8-18(22)20-10-9-13-3-6-15(21)7-4-13/h3-8,11-12,21,23H,9-10H2,1-2H3,(H,20,22)/b8-5+",COc1cc(/C=C/C(=O)NCCc2ccc(O)cc2)cc(OC)c1O,C19H21NO5,,343.141972772,IEDBNTAKVGBZEP,Amino acids and Peptides,Phenylpropanoids (C6-C3),Cinnamic acid amides,Raphanus sativus,359073.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Raphanus'],['Raphanus sativus'],4,3,8.2926926612854 114884,4644,215,Terpenoids,Steroids,Cardenolides,0.6279509,ISDB,ZZVUNOMKXJIMLD-LTZCYQRMSA-N,"InChI=1S/C15H22O5/c1-4-5-10-6-14-8-12(13(2,3)17)20-15(14,7-11(10)16)19-9-18-14/h4,10,12,17H,1,5-9H2,2-3H3/t10-,12-,14-,15+/m1/s1",C=CC[C@@H]1C[C@@]23C[C@H](C(C)(C)O)O[C@]2(CC1=O)OCO3,C15H22O5,,282.146723804,ZZVUNOMKXJIMLD,Terpenoids,,,Illicium anisatum,1059410.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Austrobaileyales'],['Schisandraceae'],['Unknown'],['Illicium'],['Illicium anisatum'],4,1,7.01180362701416 114868,4640,30,Alkaloids,Tyrosine alkaloids,Cinnamic acid amides,0.7071721,ISDB,ZRBGFWOXAQPDTH-FQEVSTJZSA-N,"InChI=1S/C20H19NO5/c1-23-15-4-3-12-7-14-13-9-17-16(25-10-26-17)8-11(13)5-6-21(14)20(22)18(12)19(15)24-2/h3-4,7-9,20,22H,5-6,10H2,1-2H3/t20-/m0/s1",COc1ccc2c(c1OC)[C@H](O)N1CCc3cc4c(cc3C1=C2)OCO4,C20H19NO5,,353.1263227079999,ZRBGFWOXAQPDTH,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Berberis insignis,279901.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Berberidaceae'],['Unknown'],['Berberis'],['Berberis insignis'],4,2,7.828688383102417 114869,4640,30,Alkaloids,Tyrosine alkaloids,Cinnamic acid amides,0.7071721,ISDB,ZRBGFWOXAQPDTH-FQEVSTJZSA-N,"InChI=1S/C20H19NO5/c1-23-15-4-3-12-7-14-13-9-17-16(25-10-26-17)8-11(13)5-6-21(14)20(22)18(12)19(15)24-2/h3-4,7-9,20,22H,5-6,10H2,1-2H3/t20-/m0/s1",COc1ccc2c(c1OC)[C@H](O)N1CCc3cc4c(cc3C1=C2)OCO4,C20H19NO5,,353.1263227079999,ZRBGFWOXAQPDTH,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Hydrastis canadensis,1072050.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Hydrastis'],['Hydrastis canadensis'],4,2,7.828688383102417 114870,4640,30,Alkaloids,Tyrosine alkaloids,Cinnamic acid amides,0.7071721,ISDB,ZRBGFWOXAQPDTH-FQEVSTJZSA-N,"InChI=1S/C20H19NO5/c1-23-15-4-3-12-7-14-13-9-17-16(25-10-26-17)8-11(13)5-6-21(14)20(22)18(12)19(15)24-2/h3-4,7-9,20,22H,5-6,10H2,1-2H3/t20-/m0/s1",COc1ccc2c(c1OC)[C@H](O)N1CCc3cc4c(cc3C1=C2)OCO4,C20H19NO5,,353.1263227079999,ZRBGFWOXAQPDTH,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Coptis japonica,387829.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Coptis'],['Coptis japonica'],4,2,7.828688383102417 114871,4640,30,Alkaloids,Tyrosine alkaloids,Cinnamic acid amides,0.7071721,ISDB,ZRBGFWOXAQPDTH-FQEVSTJZSA-N,"InChI=1S/C20H19NO5/c1-23-15-4-3-12-7-14-13-9-17-16(25-10-26-17)8-11(13)5-6-21(14)20(22)18(12)19(15)24-2/h3-4,7-9,20,22H,5-6,10H2,1-2H3/t20-/m0/s1",COc1ccc2c(c1OC)[C@H](O)N1CCc3cc4c(cc3C1=C2)OCO4,C20H19NO5,,353.1263227079999,ZRBGFWOXAQPDTH,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Berberis vulgaris,996604.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Berberidaceae'],['Unknown'],['Berberis'],['Berberis vulgaris'],4,2,7.828688383102417 114872,4640,30,Alkaloids,Tyrosine alkaloids,Cinnamic acid amides,0.7071721,ISDB,ZRBGFWOXAQPDTH-FQEVSTJZSA-N,"InChI=1S/C20H19NO5/c1-23-15-4-3-12-7-14-13-9-17-16(25-10-26-17)8-11(13)5-6-21(14)20(22)18(12)19(15)24-2/h3-4,7-9,20,22H,5-6,10H2,1-2H3/t20-/m0/s1",COc1ccc2c(c1OC)[C@H](O)N1CCc3cc4c(cc3C1=C2)OCO4,C20H19NO5,,353.1263227079999,ZRBGFWOXAQPDTH,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Toddalia asiatica,232693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Toddalia'],['Toddalia asiatica'],4,2,7.828688383102417 114873,4640,30,Alkaloids,Tyrosine alkaloids,Cinnamic acid amides,0.7071721,ISDB,ZRBGFWOXAQPDTH-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-23-15-4-3-12-7-14-13-9-17-16(25-10-26-17)8-11(13)5-6-21(14)20(22)18(12)19(15)24-2/h3-4,7-9,20,22H,5-6,10H2,1-2H3",COc1ccc2c(c1OC)C(O)N1CCc3cc4c(cc3C1=C2)OCO4,C20H19NO5,,353.126322708,ZRBGFWOXAQPDTH,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Coscinium fenestratum,688896.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Menispermaceae'],['Coscinieae'],['Coscinium'],['Coscinium fenestratum'],4,2,7.828688383102417 114874,4640,30,Alkaloids,Tyrosine alkaloids,Cinnamic acid amides,0.7071721,ISDB,ZRBGFWOXAQPDTH-FQEVSTJZSA-N,"InChI=1S/C20H19NO5/c1-23-15-4-3-12-7-14-13-9-17-16(25-10-26-17)8-11(13)5-6-21(14)20(22)18(12)19(15)24-2/h3-4,7-9,20,22H,5-6,10H2,1-2H3/t20-/m0/s1",COc1ccc2c(c1OC)[C@H](O)N1CCc3cc4c(cc3C1=C2)OCO4,C20H19NO5,,353.1263227079999,ZRBGFWOXAQPDTH,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Berberis umbellata,921543.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Berberidaceae'],['Unknown'],['Berberis'],['Berberis umbellata'],4,2,7.828688383102417 114875,4640,30,Alkaloids,Tyrosine alkaloids,Cinnamic acid amides,0.7071721,ISDB,ZRBGFWOXAQPDTH-FQEVSTJZSA-N,"InChI=1S/C20H19NO5/c1-23-15-4-3-12-7-14-13-9-17-16(25-10-26-17)8-11(13)5-6-21(14)20(22)18(12)19(15)24-2/h3-4,7-9,20,22H,5-6,10H2,1-2H3/t20-/m0/s1",COc1ccc2c(c1OC)[C@H](O)N1CCc3cc4c(cc3C1=C2)OCO4,C20H19NO5,,353.1263227079999,ZRBGFWOXAQPDTH,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Argemone mexicana,408476.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Argemone'],['Argemone mexicana'],4,2,7.828688383102417 114857,4639,7,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.54814655,ISDB,OMHJQGZJZUFMMT-AJHRVBBASA-N,"InChI=1S/C27H34O3/c28-19-11-8-17(9-12-19)6-4-2-1-3-5-7-20-21-14-15-22-23(27(29)30)13-10-18-16-24(20)26(21)25(18)22/h8-15,18,20-26,28H,1-7,16H2,(H,29,30)/t18-,20-,21-,22+,23-,24+,25-,26-/m1/s1",O=C(O)[C@@H]1C=C[C@@H]2C[C@H]3[C@H](CCCCCCCc4ccc(O)cc4)[C@H]4C=C[C@@H]1[C@@H]2[C@H]43,C27H34O3,,406.250794948,OMHJQGZJZUFMMT,,,,Beilschmiedia ferruginea,6025446.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Beilschmiedia'],['Beilschmiedia ferruginea'],4,0,6.192586183547974 114854,4636,623,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,MNTSOBLYWJLVEK-UHFFFAOYSA-N,"InChI=1S/C30H18O10/c31-16-8-20(34)29-22(36)12-25(39-27(29)10-16)14-1-4-18(5-2-14)38-24-6-3-15(7-19(24)33)26-13-23(37)30-21(35)9-17(32)11-28(30)40-26/h1-13,31-35H",O=c1cc(-c2ccc(Oc3ccc(-c4cc(=O)c5c(O)cc(O)cc5o4)cc3O)cc2)oc2cc(O)cc(O)c12,C30H18O10,pos_1_1proton,538.089996776,MNTSOBLYWJLVEK,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 114855,4636,623,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,NNPGECDACGBKDH-UHFFFAOYSA-N,"InChI=1S/C30H18O10/c31-16-8-20(34)29-22(36)12-24(39-27(29)10-16)14-1-4-18(5-2-14)38-26-7-15(3-6-19(26)33)25-13-23(37)30-21(35)9-17(32)11-28(30)40-25/h1-13,31-35H",O=c1cc(-c2ccc(Oc3cc(-c4cc(=O)c5c(O)cc(O)cc5o4)ccc3O)cc2)oc2cc(O)cc(O)c12,C30H18O10,pos_1_1proton,538.0899967759999,NNPGECDACGBKDH,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 114851,4635,544,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QQRSPHJOOXUALR-UHFFFAOYSA-N,"InChI=1S/C12H14O4/c1-4-5-8-6-9(13-2)11-12(10(8)14-3)16-7-15-11/h4,6H,1,5,7H2,2-3H3",C=CCc1cc(OC)c2c(c1OC)OCO2,C12H14O4,pos_1_1proton1methanol,222.089208928,QQRSPHJOOXUALR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Nigella sativa,142360.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Nigelleae'],['Nigella'],['Nigella sativa'],6,3,7.5 114852,4635,544,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ATJVZXXHKSYELS-FNORWQNLSA-N,"InChI=1S/C12H14O4/c1-3-16-12(14)7-5-9-4-6-10(13)11(8-9)15-2/h4-8,13H,3H2,1-2H3/b7-5+",CCOC(=O)/C=C/c1ccc(O)c(OC)c1,C12H14O4,pos_1_1proton1methanol,222.089208928,ATJVZXXHKSYELS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Coptis japonica,387829.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Coptis'],['Coptis japonica'],6,3,7.5 114847,4629,-1,,,,0.43995163,ISDB,KCSKCIQYNAOBNQ-OKPRWBIXSA-N,"InChI=1S/C10H16N2O4S/c13-8(14)4-2-1-3-7-9-6(5-17(7)16)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-,17-/m0/s1",O=C(O)CCCC[C@H]1[C@H]2NC(=O)N[C@H]2C[S@+]1[O-],C10H16N2O4S,,260.083077992,KCSKCIQYNAOBNQ,Alkaloids,,,Trypanosoma brucei,494245.0,['Eukaryota'],['Unknown'],['Unknown'],['Unknown'],['Kinetoplastea'],['Unknown'],['Unknown'],['Trypanosoma'],['Trypanosoma brucei'],1,0,2.759806513786316 114848,4629,-1,,,,0.43995163,ISDB,KCSKCIQYNAOBNQ-OKPRWBIXSA-N,"InChI=1S/C10H16N2O4S/c13-8(14)4-2-1-3-7-9-6(5-17(7)16)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-,17-/m0/s1",O=C(O)CCCC[C@H]1[C@H]2NC(=O)N[C@H]2C[S@+]1[O-],C10H16N2O4S,,260.083077992,KCSKCIQYNAOBNQ,Alkaloids,,,Aspergillus niger,120377.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Aspergillus'],['Aspergillus niger'],1,0,2.759806513786316 114799,4628,-1,,,,0.0,MS1_match,BKATZVAUANSCKN-QWRGUYRKSA-N,"InChI=1S/C12H18O2/c1-8(13)14-7-9-4-5-10-6-11(9)12(10,2)3/h4,10-11H,5-7H2,1-3H3/t10-,11-/m0/s1",CC(=O)OCC1=CC[C@H]2C[C@@H]1C2(C)C,C12H18O2,pos_2MH,194.130679816,BKATZVAUANSCKN,Terpenoids,Monoterpenoids,Pinane monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 114800,4628,-1,,,,0.0,MS1_match,GVZSSHYAFJPRJY-GARJFASQSA-N,"InChI=1S/C12H18O2/c1-7-10-5-9(12(7,3)4)6-11(10)14-8(2)13/h9-11H,1,5-6H2,2-4H3/t9-,10-,11+/m0/s1",C=C1[C@@H]2C[C@@H](C[C@H]2OC(C)=O)C1(C)C,C12H18O2,pos_2MH,194.130679816,GVZSSHYAFJPRJY,Terpenoids,Monoterpenoids,Camphane monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 114801,4628,-1,,,,0.0,MS1_match,RWENJYLCELUBAE-UHFFFAOYSA-N,"InChI=1S/C12H18O2/c1-8(2)10-6-11(13-4)9(3)12(7-10)14-5/h6-8H,1-5H3",COc1cc(C(C)C)cc(OC)c1C,C12H18O2,pos_2MH,194.130679816,RWENJYLCELUBAE,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 114802,4628,-1,,,,0.0,MS1_match,OZBFUQLOVFXDNK-VWYCJHECSA-N,"InChI=1S/C12H18O2/c1-7-5-11(14-8(2)13)10-6-9(7)12(10,3)4/h5,9-11H,6H2,1-4H3/t9-,10+,11+/m1/s1",CC(=O)O[C@H]1C=C(C)[C@H]2C[C@@H]1C2(C)C,C12H18O2,pos_2MH,194.130679816,OZBFUQLOVFXDNK,Terpenoids,Monoterpenoids,Pinane monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 114803,4628,-1,,,,0.0,MS1_match,PBWRFXQNNGSAQG-UHFFFAOYSA-N,"InChI=1S/C12H18O2/c1-7(2)12-5-10(12)8(3)11(6-12)14-9(4)13/h7,10-11H,3,5-6H2,1-2,4H3",C=C1C(OC(C)=O)CC2(C(C)C)CC12,C12H18O2,pos_2MH,194.130679816,PBWRFXQNNGSAQG,Terpenoids,Monoterpenoids,Thujane monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 114804,4628,-1,,,,0.0,MS1_match,ALVJDUNBMKMTDC-UHFFFAOYSA-N,"InChI=1S/C12H18O2/c1-12(2,3)10-8-9(13-4)6-7-11(10)14-5/h6-8H,1-5H3",COc1ccc(OC)c(C(C)(C)C)c1,C12H18O2,pos_2MH,194.130679816,ALVJDUNBMKMTDC,Shikimates and Phenylpropanoids,,,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 114784,4627,53,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.5246063,ISDB,WGPMCTNBJPAHNW-UHFFFAOYSA-N,"InChI=1S/C24H38O12/c1-12-7-14(26)8-22(3,4)24(12,32)6-5-13(2)35-20-18(29)17(28)16(27)15(36-20)9-33-21-19(30)23(31,10-25)11-34-21/h5-7,13,15-21,25,27-32H,8-11H2,1-4H3",CC1=CC(=O)CC(C)(C)C1(O)C=CC(C)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O,C24H38O12,,518.236326656,WGPMCTNBJPAHNW,Terpenoids,Apocarotenoids,Megastigmanes,Albizia julibrissin,39517.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Ingeae'],['Albizia'],['Albizia julibrissin'],4,2,7.0984251499176025 114785,4627,53,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.5246063,ISDB,WGPMCTNBJPAHNW-BYOLIVPTSA-N,"InChI=1S/C24H38O12/c1-12-7-14(26)8-22(3,4)24(12,32)6-5-13(2)35-20-18(29)17(28)16(27)15(36-20)9-33-21-19(30)23(31,10-25)11-34-21/h5-7,13,15-21,25,27-32H,8-11H2,1-4H3/b6-5+/t13-,15-,16-,17+,18-,19+,20+,21-,23-,24-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C24H38O12,,518.236326656,WGPMCTNBJPAHNW,Terpenoids,Apocarotenoids,Megastigmanes,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],4,2,7.0984251499176025 114786,4627,53,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.5246063,ISDB,WGPMCTNBJPAHNW-BYOLIVPTSA-N,"InChI=1S/C24H38O12/c1-12-7-14(26)8-22(3,4)24(12,32)6-5-13(2)35-20-18(29)17(28)16(27)15(36-20)9-33-21-19(30)23(31,10-25)11-34-21/h5-7,13,15-21,25,27-32H,8-11H2,1-4H3/b6-5+/t13-,15-,16-,17+,18-,19+,20+,21-,23-,24-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C24H38O12,,518.236326656,WGPMCTNBJPAHNW,Terpenoids,Apocarotenoids,Megastigmanes,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],4,2,7.0984251499176025 114787,4627,53,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.5246063,ISDB,WGPMCTNBJPAHNW-QZYKCYMZSA-N,"InChI=1S/C24H38O12/c1-12-7-14(26)8-22(3,4)24(12,32)6-5-13(2)35-20-18(29)17(28)16(27)15(36-20)9-33-21-19(30)23(31,10-25)11-34-21/h5-7,13,15-21,25,27-32H,8-11H2,1-4H3/b6-5+/t13-,15-,16-,17+,18-,19+,20-,21-,23-,24-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C24H38O12,,518.2363266559997,WGPMCTNBJPAHNW,Terpenoids,Apocarotenoids,Megastigmanes,Garcinia hombroniana,724102.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Clusiaceae'],['Garcinieae'],['Garcinia'],['Garcinia hombroniana'],4,2,7.0984251499176025 114788,4627,53,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.5246063,ISDB,WGPMCTNBJPAHNW-QZYKCYMZSA-N,"InChI=1S/C24H38O12/c1-12-7-14(26)8-22(3,4)24(12,32)6-5-13(2)35-20-18(29)17(28)16(27)15(36-20)9-33-21-19(30)23(31,10-25)11-34-21/h5-7,13,15-21,25,27-32H,8-11H2,1-4H3/b6-5+/t13-,15-,16-,17+,18-,19+,20-,21-,23-,24-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C24H38O12,,518.2363266559997,WGPMCTNBJPAHNW,Terpenoids,Apocarotenoids,Megastigmanes,Garcinia celebica,729746.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Clusiaceae'],['Garcinieae'],['Garcinia'],['Garcinia celebica'],4,2,7.0984251499176025 114789,4627,53,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.5246063,ISDB,WGPMCTNBJPAHNW-UHFFFAOYSA-N,"InChI=1S/C24H38O12/c1-12-7-14(26)8-22(3,4)24(12,32)6-5-13(2)35-20-18(29)17(28)16(27)15(36-20)9-33-21-19(30)23(31,10-25)11-34-21/h5-7,13,15-21,25,27-32H,8-11H2,1-4H3",CC1=CC(=O)CC(C)(C)C1(O)C=CC(C)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O,C24H38O12,,518.236326656,WGPMCTNBJPAHNW,Terpenoids,Apocarotenoids,Megastigmanes,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],4,2,7.0984251499176025 114790,4627,53,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.5246063,ISDB,WGPMCTNBJPAHNW-QZYKCYMZSA-N,"InChI=1S/C24H38O12/c1-12-7-14(26)8-22(3,4)24(12,32)6-5-13(2)35-20-18(29)17(28)16(27)15(36-20)9-33-21-19(30)23(31,10-25)11-34-21/h5-7,13,15-21,25,27-32H,8-11H2,1-4H3/b6-5+/t13-,15-,16-,17+,18-,19+,20-,21-,23-,24-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C24H38O12,,518.2363266559997,WGPMCTNBJPAHNW,Terpenoids,Apocarotenoids,Megastigmanes,Vitis vinifera,756728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Vitales'],['Vitaceae'],['Viteae'],['Vitis'],['Vitis vinifera'],4,2,7.0984251499176025 114782,4626,-1,,,,0.0,MS1_match,PGHRFWJRZHZTQN-UHFFFAOYSA-N,"InChI=1S/C59H106O26/c1-26(61)18-27(62)19-28(63)20-29(64)21-33(66)38(68)40(70)42(72)44(74)46(76)48(78)50(80)52(82)51(81)49(79)47(77)45(75)43(73)41(71)39(69)34(67)22-30(65)24-85-37-11-12-55(4)35(56(37,5)25-60)10-13-58(7)36(55)9-8-31-32-23-54(2,3)14-16-59(32,53(83)84)17-15-57(31,58)6/h8,26-30,32-52,60-82H,9-25H2,1-7H3,(H,83,84)",CC(O)CC(O)CC(O)CC(O)CC(O)C(O)C(O)C(O)C(O)C(O)C(O)C(O)C(O)C(O)C(O)C(O)C(O)C(O)C(O)C(O)C(O)CC(O)COC1CCC2(C)C(CCC3(C)C2CC=C2C4CC(C)(C)CCC4(C(=O)O)CCC23C)C1(C)CO,C59H106O26,pos_2_2sodium,1230.697233512,PGHRFWJRZHZTQN,,,,Clematis tibetana,972666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tibetana'],8,0,8.0 114780,4625,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,CRSFLLTWRCYNNX-QBNNUVSCSA-N,"InChI=1S/C16H18O10/c1-23-7-4-6-2-3-9(18)25-14(6)15(11(7)20)26-16-13(22)12(21)10(19)8(5-17)24-16/h2-4,8,10,12-13,16-17,19-22H,5H2,1H3/t8-,10-,12+,13-,16+/m1/s1",COc1cc2ccc(=O)oc2c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1O,C16H18O10,pos_1_sodium,370.0899967759999,CRSFLLTWRCYNNX,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Weigela subsessilis,82213.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Weigela'],['Weigela subsessilis'],6,0,6.0 114781,4625,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,CRSFLLTWRCYNNX-QBNNUVSCSA-N,"InChI=1S/C16H18O10/c1-23-7-4-6-2-3-9(18)25-14(6)15(11(7)20)26-16-13(22)12(21)10(19)8(5-17)24-16/h2-4,8,10,12-13,16-17,19-22H,5H2,1H3/t8-,10-,12+,13-,16+/m1/s1",COc1cc2ccc(=O)oc2c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1O,C16H18O10,pos_1_sodium,370.0899967759999,CRSFLLTWRCYNNX,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Weigela subsessilis,82213.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Weigela'],['Weigela subsessilis'],6,0,6.0 113072,4624,362,Terpenoids,Monoterpenoids,Camphane monoterpenoids,0.4968856,ISDB,DSSYKIVIOFKYAU-XVKPBYJWSA-N,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3/t7-,10-/m0/s1",CC1(C)[C@H]2CC[C@@]1(C)C(=O)C2,C10H16O,,152.120115132,DSSYKIVIOFKYAU,Terpenoids,Monoterpenoids,Camphane monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,3,9.487542390823364 113056,4623,90,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.5078557,ISDB,FGIRFSQAJATKED-NBYNOWDBSA-N,"InChI=1S/C17H26O7/c1-10(3-4-11-5-7-12(22-2)8-6-11)23-17-16(21)15(20)14(19)13(9-18)24-17/h5-8,10,13-21H,3-4,9H2,1-2H3/t10-,13-,14-,15+,16-,17-/m1/s1",COc1ccc(CC[C@@H](C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,C17H26O7,,342.167853172,FGIRFSQAJATKED,,,,Abies spectabilis,844776.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies spectabilis'],3,0,5.031422853469849 113045,4622,22,Polyketides,Aromatic polyketides,Catechols with side chains,0.3816006,ISDB,QSAZGMNPQJKWDO-UHFFFAOYSA-N,"InChI=1S/C24H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-19-23(25)21-24(20-22)26-2/h4-5,7-8,10-11,19-21,25H,3,6,9,12-18H2,1-2H3",CCC=CCC=CCC=CCCCCCCCc1cc(O)cc(OC)c1,C24H36O2,,356.271530392,QSAZGMNPQJKWDO,Polyketides,Aromatic polyketides,Catechols with side chains,Omphalanthus filiformis,703702.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Jungermanniopsida'],['Porellales'],['Lejeuneaceae'],['Unknown'],['Omphalanthus'],['Omphalanthus filiformis'],3,3,6.0264023542404175 113046,4622,22,Polyketides,Aromatic polyketides,Catechols with side chains,0.3816006,ISDB,QSAZGMNPQJKWDO-YSTUJMKBSA-N,"InChI=1S/C24H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-19-23(25)21-24(20-22)26-2/h4-5,7-8,10-11,19-21,25H,3,6,9,12-18H2,1-2H3/b5-4-,8-7-,11-10-",CC/C=C\C/C=C\C/C=C\CCCCCCCc1cc(O)cc(OC)c1,C24H36O2,,356.271530392,QSAZGMNPQJKWDO,Polyketides,Aromatic polyketides,Catechols with side chains,Cheilolejeunea filiformis,703702.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Jungermanniopsida'],['Porellales'],['Lejeuneaceae'],['Unknown'],['Omphalanthus'],['Omphalanthus filiformis'],3,3,6.0264023542404175 113040,4621,1595,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,SUGOCCUAKZVLFE-SDTHRHJYSA-N,"InChI=1S/C19H28O10/c1-2-3-6-27-18(26)12(22)8-10-4-5-13(11(21)7-10)28-19-17(25)16(24)15(23)14(9-20)29-19/h4-5,7,12,14-17,19-25H,2-3,6,8-9H2,1H3/t12-,14-,15-,16+,17-,19-/m1/s1",CCCCOC(=O)[C@H](O)Cc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1,C19H28O10,pos_1_1potassium,416.168247096,SUGOCCUAKZVLFE,,,,Ranunculus chinensis,162150.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus chinensis'],6,0,6.0 113041,4621,1595,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,SUGOCCUAKZVLFE-SDTHRHJYSA-N,"InChI=1S/C19H28O10/c1-2-3-6-27-18(26)12(22)8-10-4-5-13(11(21)7-10)28-19-17(25)16(24)15(23)14(9-20)29-19/h4-5,7,12,14-17,19-25H,2-3,6,8-9H2,1H3/t12-,14-,15-,16+,17-,19-/m1/s1",CCCCOC(=O)[C@H](O)Cc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1,C19H28O10,pos_1_1potassium,416.168247096,SUGOCCUAKZVLFE,,,,Ranunculus cantoniensis,118756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus cantoniensis'],6,0,6.0 113038,4618,-1,,,,0.2655064,ISDB,,,,,,,CYXKJSCQPMYPIV,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.062025547027588 113035,4616,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.34186107,ISDB,,,,,,,YRALWAZPKOOADH,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.3674442768096924 113033,4614,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ZAGGPLANHIGDAL-LIVJIHFKSA-N,"InChI=1S/C15H19NO10/c1-24-11(20)4-7(2-3-10(18)19)8(5-16)25-15-14(23)13(22)12(21)9(6-17)26-15/h2-3,9,12-15,17,21-23H,4,6H2,1H3,(H,18,19)/b3-2+,8-7+/t9-,12+,13+,14+,15-/m0/s1",COC(=O)CC(/C=C/C(=O)O)=C(\C#N)O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O,C15H19NO10,pos_1_1proton,373.100895808,ZAGGPLANHIGDAL,,,,Thalictrum aquilegiifolium,815364.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum aquilegiifolium'],6,0,6.0 113034,4614,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ZAGGPLANHIGDAL-LIVJIHFKSA-N,"InChI=1S/C15H19NO10/c1-24-11(20)4-7(2-3-10(18)19)8(5-16)25-15-14(23)13(22)12(21)9(6-17)26-15/h2-3,9,12-15,17,21-23H,4,6H2,1H3,(H,18,19)/b3-2+,8-7+/t9-,12+,13+,14+,15-/m0/s1",COC(=O)CC(/C=C/C(=O)O)=C(\C#N)O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O,C15H19NO10,pos_1_1proton,373.100895808,ZAGGPLANHIGDAL,,,,Thalictrum aquilegifolium,815364.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum aquilegiifolium'],6,0,6.0 113031,4610,-1,,,,0.31188986,ISDB,ZYERUQAOCQZPJW-AATRIKPKSA-N,"InChI=1S/C15H22N2O4/c1-20-12-9-11(10-13(21-2)15(12)19)5-6-14(18)17-8-4-3-7-16/h5-6,9-10,19H,3-4,7-8,16H2,1-2H3,(H,17,18)/b6-5+",COc1cc(/C=C/C(=O)NCCCCN)cc(OC)c1O,C15H22N2O4,,294.157957184,ZYERUQAOCQZPJW,Alkaloids,Ornithine alkaloids,Polyamines,Lilium,748393.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Liliales'],['Liliaceae'],['Unknown'],['Lilium'],['Unknown'],4,0,5.247559428215027 113030,4609,290,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.46242586,ISDB,OWJPGUSQKTZURC-ARHFQXALSA-N,"InChI=1S/C37H38O19/c1-50-24-9-16(4-6-19(24)41)23-12-22(44)29-21(43)10-17(11-25(29)52-23)51-36-35(33(49)31(47)26(13-38)53-36)56-37-34(32(48)30(46)27(14-39)54-37)55-28(45)7-3-15-2-5-18(40)20(42)8-15/h2-12,26-27,30-43,46-49H,13-14H2,1H3/b7-3+/t26-,27-,30-,31-,32+,33+,34-,35-,36-,37+/m1/s1",COc1cc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4OC(=O)/C=C/c4ccc(O)c(O)c4)cc3o2)ccc1O,C37H38O19,,786.200728996,OWJPGUSQKTZURC,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Sideritis ozturkii,6081668.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Stachydeae'],['Sideritis'],['Sideritis ozturkii'],4,2,6.849703431129456 113007,4606,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,KMOUJOKENFFTPU-UHFFFAOYSA-N,"InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2",O=c1cc(-c2ccc(O)cc2)oc2cc(OC3OC(CO)C(O)C(O)C3O)cc(O)c12,C21H20O10,pos_1_1proton,432.1056468399998,KMOUJOKENFFTPU,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,2,8.0 113008,4606,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,KMOUJOKENFFTPU-QNDFHXLGSA-N,"InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O10,pos_1_1proton,432.1056468399998,KMOUJOKENFFTPU,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Lonicera gracilipes,920854.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera gracilipes'],7,2,8.0 113009,4606,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,KMOUJOKENFFTPU-QNDFHXLGSA-N,"InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O10,pos_1_1proton,432.1056468399998,KMOUJOKENFFTPU,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Lonicera gracilipes,920854.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera gracilipes'],7,2,8.0 113010,4606,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,KMOUJOKENFFTPU-UHFFFAOYSA-N,"InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2",O=c1cc(-c2ccc(O)cc2)oc2cc(OC3OC(CO)C(O)C(O)C3O)cc(O)c12,C21H20O10,pos_1_1proton,432.1056468399998,KMOUJOKENFFTPU,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,2,8.0 113011,4606,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,KMOUJOKENFFTPU-UHFFFAOYSA-N,"InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2",O=c1cc(-c2ccc(O)cc2)oc2cc(OC3OC(CO)C(O)C(O)C3O)cc(O)c12,C21H20O10,pos_1_1proton,432.1056468399998,KMOUJOKENFFTPU,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,2,8.0 113012,4606,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,KMOUJOKENFFTPU-QNDFHXLGSA-N,"InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O10,pos_1_1proton,432.1056468399998,KMOUJOKENFFTPU,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Lonicera gracilipes,920854.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera gracilipes'],7,2,8.0 113005,4591,684,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,JXSVIVRDWWRQRT-UHFFFAOYSA-N,"InChI=1S/C30H48O5/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h7,17-18,20-24,31-33H,8-16H2,1-6H3,(H,34,35)",CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1C,C30H48O5,pos_1_1proton1ammonium,488.350174636,JXSVIVRDWWRQRT,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Weigela subsessilis,82213.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Weigela'],['Weigela subsessilis'],6,3,7.5 113006,4591,684,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,JXSVIVRDWWRQRT-UHFFFAOYSA-N,"InChI=1S/C30H48O5/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h7,17-18,20-24,31-33H,8-16H2,1-6H3,(H,34,35)",CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1C,C30H48O5,pos_1_1proton1ammonium,488.350174636,JXSVIVRDWWRQRT,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Weigela subsessilis,82213.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Weigela'],['Weigela subsessilis'],6,3,7.5 113001,4590,852,,,,0.3348036,ISDB,,,,,,,UWIXNZGLUYYNRV,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.3392144441604614 112998,4588,895,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.3092478,ISDB,QPXLXIOGKRSJSO-GSUPODNBSA-N,"InChI=1S/C22H34O14/c1-22(30)4-3-8-9(18(28)31-2)5-32-20(12(8)22)33-7-11-13(23)15(25)17(27)21(36-11)34-6-10-14(24)16(26)19(29)35-10/h5,8,10-17,19-21,23-27,29-30H,3-4,6-7H2,1-2H3/t8-,10-,11-,12-,13-,14+,15+,16-,17-,19-,20+,21-,22+/m1/s1",COC(=O)C1=CO[C@@H](OC[C@H]2O[C@@H](OC[C@H]3O[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H]2[C@@H]1CC[C@]2(C)O,C22H34O14,,522.194855768,QPXLXIOGKRSJSO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Pedicularis plicata,5232492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Orobanchaceae'],['Pedicularideae'],['Pedicularis'],['Pedicularis plicata'],4,3,6.7369911670684814 112996,4587,-1,,,,0.7072709,ISDB,JAWNWMYMRGNVMQ-GVFKUQRYSA-N,"InChI=1S/C31H28O14/c1-41-23-9-15(4-6-19(23)34)30-24(12-17-20(35)10-16(32)11-22(17)43-30)44-31-29(40)28(39)27(38)25(45-31)13-42-26(37)7-3-14-2-5-18(33)21(36)8-14/h2-12,25,27-29,31-34,36,38-40H,13H2,1H3/t25-,27-,28+,29-,31-/m1/s1",COc1cc(-c2oc3cc(O)cc(=O)c-3cc2O[C@@H]2O[C@H](COC(=O)C=Cc3ccc(O)c(O)c3)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C31H28O14,,624.147905576,JAWNWMYMRGNVMQ,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Vitis cinerea,314458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Vitales'],['Vitaceae'],['Viteae'],['Vitis'],['Vitis cinerea'],4,0,6.829083681106567 112997,4587,-1,,,,0.7072709,ISDB,JAWNWMYMRGNVMQ-GVFKUQRYSA-N,"InChI=1S/C31H28O14/c1-41-23-9-15(4-6-19(23)34)30-24(12-17-20(35)10-16(32)11-22(17)43-30)44-31-29(40)28(39)27(38)25(45-31)13-42-26(37)7-3-14-2-5-18(33)21(36)8-14/h2-12,25,27-29,31-34,36,38-40H,13H2,1H3/t25-,27-,28+,29-,31-/m1/s1",COc1cc(-c2oc3cc(O)cc(=O)c-3cc2O[C@@H]2O[C@H](COC(=O)C=Cc3ccc(O)c(O)c3)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C31H28O14,,624.147905576,JAWNWMYMRGNVMQ,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Vitis vinifera,756728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Vitales'],['Vitaceae'],['Viteae'],['Vitis'],['Vitis vinifera'],4,0,6.829083681106567 112995,4586,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.20551117,ISDB,,,,,,,VSEIDKRSJSYZRQ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.8220446705818176 112993,4582,1241,Fatty acids,Diterpenoids,Ceramides,0.34953848,ISDB,,,,,,,AVXDNDYYTSRSJJ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.3981539011001587 112989,4580,281,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.3220477,ISDB,YVMUBJPWZKUGBC-OOBAEQHESA-N,"InChI=1S/C22H30O11/c1-22(2,33-21-19(28)18(27)17(26)14(9-23)32-21)15(24)7-11-12(29-3)8-13-10(20(11)30-4)5-6-16(25)31-13/h5-6,8,14-15,17-19,21,23-24,26-28H,7,9H2,1-4H3/t14-,15+,17-,18+,19-,21+/m1/s1",COc1cc2oc(=O)ccc2c(OC)c1C[C@H](O)C(C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C22H30O11,,470.1788117799998,YVMUBJPWZKUGBC,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Toddalia asiatica,232693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Toddalia'],['Toddalia asiatica'],4,0,5.288190841674805 112986,4577,173,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,XWOHZIIPBYAMJX-KHBMLBSESA-N,"InChI=1S/C11H16O5/c1-5-8(12)3-6-7(10(13)15-2)4-16-11(14)9(5)6/h4-6,8-9,11-12,14H,3H2,1-2H3/t5-,6+,8-,9+,11+/m0/s1",COC(=O)C1=CO[C@@H](O)[C@@H]2[C@@H](C)[C@@H](O)C[C@H]12,C11H16O5,pos_1_1proton1ammonium,228.099773612,XWOHZIIPBYAMJX,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Dipsacus laciniatus,489131.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Dipsacus'],['Dipsacus laciniatus'],6,3,7.5 112987,4577,173,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,HJTVDWWIPXDJBB-UHFFFAOYSA-N,"InChI=1S/C11H16O5/c1-6(5-12)7-4-8(13)11(2,15)9(7)10(14)16-3/h5,7-9,13,15H,1,4H2,2-3H3",C=C(C=O)C1CC(O)C(C)(O)C1C(=O)OC,C11H16O5,pos_1_1proton1ammonium,228.099773612,HJTVDWWIPXDJBB,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,3,7.5 112988,4577,173,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,NGJFTIGDSFYTPY-UHFFFAOYSA-N,"InChI=1S/C11H16O5/c1-11-7(12)3-5-6(4-15-11)10(14-2)16-9(13)8(5)11/h5-8,10,12H,3-4H2,1-2H3",COC1OC(=O)C2C3CC(O)C2(C)OCC13,C11H16O5,pos_1_1proton1ammonium,228.099773612,NGJFTIGDSFYTPY,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,3,7.5 112978,4576,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.26137757,ISDB,XYCYUUSEIAGVKO-UYMHYVCLSA-N,"InChI=1S/C33H42O18/c1-13-26(46-14(2)36)25(42)28(48-20(38)7-5-15-4-6-18(43-3)17(37)10-15)32(45-13)49-27-16-8-9-44-30(21(16)33(12-35)29(27)51-33)50-31-24(41)23(40)22(39)19(11-34)47-31/h4-10,13,16,19,21-32,34-35,37,39-42H,11-12H2,1-3H3/b7-5+/t13-,16+,19+,21+,22+,23-,24+,25+,26-,27-,28+,29-,30-,31-,32-,33+/m0/s1",COc1ccc(/C=C/C(=O)O[C@H]2[C@H](O[C@H]3[C@@H]4C=CO[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H]4[C@@]4(CO)O[C@@H]34)O[C@@H](C)[C@H](OC(C)=O)[C@H]2O)cc1O,C33H42O18,,726.237114504,XYCYUUSEIAGVKO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Premna microphylla,503286.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Premna'],['Premna microphylla'],4,2,6.045510292053223 112966,4575,217,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,AXCXHFKZHDEKTP-UHFFFAOYSA-N,"InChI=1S/C10H10O2/c1-12-10-6-4-9(5-7-10)3-2-8-11/h2-8H,1H3",COc1ccc(C=CC=O)cc1,C10H10O2,pos_1_1proton,162.06807956,AXCXHFKZHDEKTP,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Morina chinensis,68249.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Morina'],['Morina chinensis'],6,1,6.5 112962,4573,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.20571831,ISDB,FLLLEVXQNGRTCK-RMOHBAFUSA-N,"InChI=1S/C26H32O14/c1-35-17-8-13(9-27)2-7-16(17)39-24-21(31)20(30)19(29)18(40-24)10-36-25-22(32)26(34,12-38-25)11-37-23(33)14-3-5-15(28)6-4-14/h2-8,18-22,24-25,27-32,34H,9-12H2,1H3/t18-,19-,20+,21-,22+,24-,25-,26-/m1/s1",COc1cc(CO)ccc1O[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(COC(=O)c3ccc(O)cc3)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C26H32O14,,568.179205704,FLLLEVXQNGRTCK,Shikimates and Phenylpropanoids,,,Handroanthus impetiginosus,532896.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Bignoniaceae'],['Unknown'],['Handroanthus'],['Handroanthus impetiginosus'],4,0,4.82287323474884 112963,4573,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.20571831,ISDB,FLLLEVXQNGRTCK-RMOHBAFUSA-N,"InChI=1S/C26H32O14/c1-35-17-8-13(9-27)2-7-16(17)39-24-21(31)20(30)19(29)18(40-24)10-36-25-22(32)26(34,12-38-25)11-37-23(33)14-3-5-15(28)6-4-14/h2-8,18-22,24-25,27-32,34H,9-12H2,1H3/t18-,19-,20+,21-,22+,24-,25-,26-/m1/s1",COc1cc(CO)ccc1O[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(COC(=O)c3ccc(O)cc3)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C26H32O14,,568.179205704,FLLLEVXQNGRTCK,Shikimates and Phenylpropanoids,,,Handroanthus impetiginosum,532896.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Bignoniaceae'],['Unknown'],['Handroanthus'],['Handroanthus impetiginosus'],4,0,4.82287323474884 112961,4570,33,,,,0.4775953,ISDB,,,,,,,AXBVFQAJRRTLOV,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.9103811979293823 112935,4568,-1,,,,0.0,MS1_match,YXHFXGHAELQJGK-NYIAETJKSA-N,"InChI=1S/C22H22O11/c1-31-14-4-8(2-3-9(14)24)13-6-12(27)16-10(25)5-11(26)17(21(16)32-13)22-20(30)19(29)18(28)15(7-23)33-22/h2-6,15,18-20,22-26,28-30H,7H2,1H3/t15?,18-,19+,20?,22-/m1/s1",COc1cc(-c2cc(=O)c3c(O)cc(O)c([C@H]4OC(CO)[C@@H](O)[C@H](O)C4O)c3o2)ccc1O,C22H22O11,pos_2MNa,462.116211524,YXHFXGHAELQJGK,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Knautia tatarica,5512969.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Knautia'],['Knautia montana'],6,0,6.0 112936,4568,-1,,,,0.0,MS1_match,WKUHPOMCLBLCOV-MIUGBVLSSA-N,"InChI=1S/C22H22O11/c1-30-14-3-2-9(4-11(14)24)15-7-13(26)18-12(25)5-10(6-16(18)32-15)31-22-21(29)20(28)19(27)17(8-23)33-22/h2-7,17,19-25,27-29H,8H2,1H3/t17-,19-,20+,21-,22-/m1/s1",COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1O,C22H22O11,pos_2MNa,462.1162115239998,WKUHPOMCLBLCOV,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Valeriana chionophila,6061606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana chionophila'],6,0,6.0 112937,4568,-1,,,,0.0,MS1_match,WKUHPOMCLBLCOV-MIUGBVLSSA-N,"InChI=1S/C22H22O11/c1-30-14-3-2-9(4-11(14)24)15-7-13(26)18-12(25)5-10(6-16(18)32-15)31-22-21(29)20(28)19(27)17(8-23)33-22/h2-7,17,19-25,27-29H,8H2,1H3/t17-,19-,20+,21-,22-/m1/s1",COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1O,C22H22O11,pos_2MNa,462.1162115239998,WKUHPOMCLBLCOV,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Valeriana fedtschenkoi,139316.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana longiflora'],6,0,6.0 112938,4568,-1,,,,0.0,MS1_match,JSUJHPSAVAWXEN-UHFFFAOYSA-N,"InChI=1S/C22H22O11/c1-30-14-7-13-16(11(25)6-12(31-13)9-2-4-10(24)5-3-9)18(27)21(14)33-22-20(29)19(28)17(26)15(8-23)32-22/h2-7,15,17,19-20,22-24,26-29H,8H2,1H3",COc1cc2oc(-c3ccc(O)cc3)cc(=O)c2c(O)c1OC1OC(CO)C(O)C(O)C1O,C22H22O11,pos_2MNa,462.116211524,JSUJHPSAVAWXEN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cephalaria gigantea,3892199.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Cephalaria'],['Cephalaria gigantea'],6,0,6.0 112939,4568,-1,,,,0.0,MS1_match,JSUJHPSAVAWXEN-SNRPTINQSA-N,"InChI=1S/C22H22O11/c1-30-14-7-13-16(11(25)6-12(31-13)9-2-4-10(24)5-3-9)18(27)21(14)33-22-20(29)19(28)17(26)15(8-23)32-22/h2-7,15,17,19-20,22-24,26-29H,8H2,1H3/t15-,17-,19+,20-,22+/m0/s1",COc1cc2oc(-c3ccc(O)cc3)cc(=O)c2c(O)c1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O,C22H22O11,pos_2MNa,462.1162115239998,JSUJHPSAVAWXEN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Lomelosia olgae,6061317.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lomelosia'],['Lomelosia olgae'],6,0,6.0 112940,4568,-1,,,,0.0,MS1_match,JSUJHPSAVAWXEN-SNRPTINQSA-N,"InChI=1S/C22H22O11/c1-30-14-7-13-16(11(25)6-12(31-13)9-2-4-10(24)5-3-9)18(27)21(14)33-22-20(29)19(28)17(26)15(8-23)32-22/h2-7,15,17,19-20,22-24,26-29H,8H2,1H3/t15-,17-,19+,20-,22+/m0/s1",COc1cc2oc(-c3ccc(O)cc3)cc(=O)c2c(O)c1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O,C22H22O11,pos_2MNa,462.1162115239998,JSUJHPSAVAWXEN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Scabiosa atropurpurea,900954.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Scabiosa'],['Scabiosa atropurpurea'],6,0,6.0 112941,4568,-1,,,,0.0,MS1_match,JSUJHPSAVAWXEN-UHFFFAOYSA-N,"InChI=1S/C22H22O11/c1-30-14-7-13-16(11(25)6-12(31-13)9-2-4-10(24)5-3-9)18(27)21(14)33-22-20(29)19(28)17(26)15(8-23)32-22/h2-7,15,17,19-20,22-24,26-29H,8H2,1H3",COc1cc2oc(-c3ccc(O)cc3)cc(=O)c2c(O)c1OC1OC(CO)C(O)C(O)C1O,C22H22O11,pos_2MNa,462.116211524,JSUJHPSAVAWXEN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cephalaria gigantea,3892199.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Cephalaria'],['Cephalaria gigantea'],6,0,6.0 112942,4568,-1,,,,0.0,MS1_match,JSUJHPSAVAWXEN-SNRPTINQSA-N,"InChI=1S/C22H22O11/c1-30-14-7-13-16(11(25)6-12(31-13)9-2-4-10(24)5-3-9)18(27)21(14)33-22-20(29)19(28)17(26)15(8-23)32-22/h2-7,15,17,19-20,22-24,26-29H,8H2,1H3/t15-,17-,19+,20-,22+/m0/s1",COc1cc2oc(-c3ccc(O)cc3)cc(=O)c2c(O)c1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O,C22H22O11,pos_2MNa,462.1162115239998,JSUJHPSAVAWXEN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Lomelosia olgae,6061317.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lomelosia'],['Lomelosia olgae'],6,0,6.0 112943,4568,-1,,,,0.0,MS1_match,JSUJHPSAVAWXEN-SNRPTINQSA-N,"InChI=1S/C22H22O11/c1-30-14-7-13-16(11(25)6-12(31-13)9-2-4-10(24)5-3-9)18(27)21(14)33-22-20(29)19(28)17(26)15(8-23)32-22/h2-7,15,17,19-20,22-24,26-29H,8H2,1H3/t15-,17-,19+,20-,22+/m0/s1",COc1cc2oc(-c3ccc(O)cc3)cc(=O)c2c(O)c1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O,C22H22O11,pos_2MNa,462.1162115239998,JSUJHPSAVAWXEN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Scabiosa atropurpurea,900954.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Scabiosa'],['Scabiosa atropurpurea'],6,0,6.0 112944,4568,-1,,,,0.0,MS1_match,DLVLXOYLQKCAME-UHFFFAOYSA-N,"InChI=1S/C22H22O11/c1-31-13-6-14-16(11(26)5-12(32-14)8-2-3-9(24)10(25)4-8)19(28)17(13)22-21(30)20(29)18(27)15(7-23)33-22/h2-6,15,18,20-25,27-30H,7H2,1H3",COc1cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c(O)c1C1OC(CO)C(O)C(O)C1O,C22H22O11,pos_2MNa,462.116211524,DLVLXOYLQKCAME,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cephalaria leucantha,518016.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Cephalaria'],['Cephalaria leucantha'],6,0,6.0 112945,4568,-1,,,,0.0,MS1_match,DLVLXOYLQKCAME-DGHBBABESA-N,"InChI=1S/C22H22O11/c1-31-13-6-14-16(11(26)5-12(32-14)8-2-3-9(24)10(25)4-8)19(28)17(13)22-21(30)20(29)18(27)15(7-23)33-22/h2-6,15,18,20-25,27-30H,7H2,1H3/t15-,18-,20+,21-,22+/m1/s1",COc1cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c(O)c1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C22H22O11,pos_2MNa,462.1162115239999,DLVLXOYLQKCAME,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cephalaria uralensis,518016.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Cephalaria'],['Cephalaria leucantha'],6,0,6.0 112946,4568,-1,,,,0.0,MS1_match,DLVLXOYLQKCAME-DGHBBABESA-N,"InChI=1S/C22H22O11/c1-31-13-6-14-16(11(26)5-12(32-14)8-2-3-9(24)10(25)4-8)19(28)17(13)22-21(30)20(29)18(27)15(7-23)33-22/h2-6,15,18,20-25,27-30H,7H2,1H3/t15-,18-,20+,21-,22+/m1/s1",COc1cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c(O)c1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C22H22O11,pos_2MNa,462.1162115239999,DLVLXOYLQKCAME,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Pterocephalus papposus,450630.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Pterocephalus'],['Pterocephalus papposus'],6,0,6.0 112947,4568,-1,,,,0.0,MS1_match,DLVLXOYLQKCAME-DGHBBABESA-N,"InChI=1S/C22H22O11/c1-31-13-6-14-16(11(26)5-12(32-14)8-2-3-9(24)10(25)4-8)19(28)17(13)22-21(30)20(29)18(27)15(7-23)33-22/h2-6,15,18,20-25,27-30H,7H2,1H3/t15-,18-,20+,21-,22+/m1/s1",COc1cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c(O)c1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C22H22O11,pos_2MNa,462.1162115239999,DLVLXOYLQKCAME,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Pterocephalus plumosus,5746454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Pterocephalus'],['Pterocephalus plumosus'],6,0,6.0 112948,4568,-1,,,,0.0,MS1_match,DLVLXOYLQKCAME-DGHBBABESA-N,"InChI=1S/C22H22O11/c1-31-13-6-14-16(11(26)5-12(32-14)8-2-3-9(24)10(25)4-8)19(28)17(13)22-21(30)20(29)18(27)15(7-23)33-22/h2-6,15,18,20-25,27-30H,7H2,1H3/t15-,18-,20+,21-,22+/m1/s1",COc1cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c(O)c1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C22H22O11,pos_2MNa,462.1162115239999,DLVLXOYLQKCAME,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Knautia montana,5512969.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Knautia'],['Knautia montana'],6,0,6.0 112949,4568,-1,,,,0.0,MS1_match,DLVLXOYLQKCAME-DGHBBABESA-N,"InChI=1S/C22H22O11/c1-31-13-6-14-16(11(26)5-12(32-14)8-2-3-9(24)10(25)4-8)19(28)17(13)22-21(30)20(29)18(27)15(7-23)33-22/h2-6,15,18,20-25,27-30H,7H2,1H3/t15-,18-,20+,21-,22+/m1/s1",COc1cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c(O)c1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C22H22O11,pos_2MNa,462.1162115239999,DLVLXOYLQKCAME,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Knautia tatarica,5512969.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Knautia'],['Knautia montana'],6,0,6.0 112950,4568,-1,,,,0.0,MS1_match,DLVLXOYLQKCAME-UHFFFAOYSA-N,"InChI=1S/C22H22O11/c1-31-13-6-14-16(11(26)5-12(32-14)8-2-3-9(24)10(25)4-8)19(28)17(13)22-21(30)20(29)18(27)15(7-23)33-22/h2-6,15,18,20-25,27-30H,7H2,1H3",COc1cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c(O)c1C1OC(CO)C(O)C(O)C1O,C22H22O11,pos_2MNa,462.116211524,DLVLXOYLQKCAME,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cephalaria leucantha,518016.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Cephalaria'],['Cephalaria leucantha'],6,0,6.0 112951,4568,-1,,,,0.0,MS1_match,DLVLXOYLQKCAME-DGHBBABESA-N,"InChI=1S/C22H22O11/c1-31-13-6-14-16(11(26)5-12(32-14)8-2-3-9(24)10(25)4-8)19(28)17(13)22-21(30)20(29)18(27)15(7-23)33-22/h2-6,15,18,20-25,27-30H,7H2,1H3/t15-,18-,20+,21-,22+/m1/s1",COc1cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c(O)c1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C22H22O11,pos_2MNa,462.1162115239999,DLVLXOYLQKCAME,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cephalaria uralensis,518016.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Cephalaria'],['Cephalaria leucantha'],6,0,6.0 112952,4568,-1,,,,0.0,MS1_match,DLVLXOYLQKCAME-DGHBBABESA-N,"InChI=1S/C22H22O11/c1-31-13-6-14-16(11(26)5-12(32-14)8-2-3-9(24)10(25)4-8)19(28)17(13)22-21(30)20(29)18(27)15(7-23)33-22/h2-6,15,18,20-25,27-30H,7H2,1H3/t15-,18-,20+,21-,22+/m1/s1",COc1cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c(O)c1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C22H22O11,pos_2MNa,462.1162115239999,DLVLXOYLQKCAME,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Pterocephalus papposus,450630.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Pterocephalus'],['Pterocephalus papposus'],6,0,6.0 112953,4568,-1,,,,0.0,MS1_match,DLVLXOYLQKCAME-DGHBBABESA-N,"InChI=1S/C22H22O11/c1-31-13-6-14-16(11(26)5-12(32-14)8-2-3-9(24)10(25)4-8)19(28)17(13)22-21(30)20(29)18(27)15(7-23)33-22/h2-6,15,18,20-25,27-30H,7H2,1H3/t15-,18-,20+,21-,22+/m1/s1",COc1cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c(O)c1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C22H22O11,pos_2MNa,462.1162115239999,DLVLXOYLQKCAME,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Pterocephalus plumosus,5746454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Pterocephalus'],['Pterocephalus plumosus'],6,0,6.0 112954,4568,-1,,,,0.0,MS1_match,DLVLXOYLQKCAME-DGHBBABESA-N,"InChI=1S/C22H22O11/c1-31-13-6-14-16(11(26)5-12(32-14)8-2-3-9(24)10(25)4-8)19(28)17(13)22-21(30)20(29)18(27)15(7-23)33-22/h2-6,15,18,20-25,27-30H,7H2,1H3/t15-,18-,20+,21-,22+/m1/s1",COc1cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c(O)c1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C22H22O11,pos_2MNa,462.1162115239999,DLVLXOYLQKCAME,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Knautia montana,5512969.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Knautia'],['Knautia montana'],6,0,6.0 112955,4568,-1,,,,0.0,MS1_match,DLVLXOYLQKCAME-DGHBBABESA-N,"InChI=1S/C22H22O11/c1-31-13-6-14-16(11(26)5-12(32-14)8-2-3-9(24)10(25)4-8)19(28)17(13)22-21(30)20(29)18(27)15(7-23)33-22/h2-6,15,18,20-25,27-30H,7H2,1H3/t15-,18-,20+,21-,22+/m1/s1",COc1cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c(O)c1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C22H22O11,pos_2MNa,462.1162115239999,DLVLXOYLQKCAME,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Knautia tatarica,5512969.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Knautia'],['Knautia montana'],6,0,6.0 112956,4568,-1,,,,0.0,MS1_match,YXHFXGHAELQJGK-NYIAETJKSA-N,"InChI=1S/C22H22O11/c1-31-14-4-8(2-3-9(14)24)13-6-12(27)16-10(25)5-11(26)17(21(16)32-13)22-20(30)19(29)18(28)15(7-23)33-22/h2-6,15,18-20,22-26,28-30H,7H2,1H3/t15?,18-,19+,20?,22-/m1/s1",COc1cc(-c2cc(=O)c3c(O)cc(O)c([C@H]4OC(CO)[C@@H](O)[C@H](O)C4O)c3o2)ccc1O,C22H22O11,pos_2MNa,462.116211524,YXHFXGHAELQJGK,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Knautia montana,5512969.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Knautia'],['Knautia montana'],6,0,6.0 112957,4568,-1,,,,0.0,MS1_match,YXHFXGHAELQJGK-NYIAETJKSA-N,"InChI=1S/C22H22O11/c1-31-14-4-8(2-3-9(14)24)13-6-12(27)16-10(25)5-11(26)17(21(16)32-13)22-20(30)19(29)18(28)15(7-23)33-22/h2-6,15,18-20,22-26,28-30H,7H2,1H3/t15?,18-,19+,20?,22-/m1/s1",COc1cc(-c2cc(=O)c3c(O)cc(O)c([C@H]4OC(CO)[C@@H](O)[C@H](O)C4O)c3o2)ccc1O,C22H22O11,pos_2MNa,462.116211524,YXHFXGHAELQJGK,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Knautia tatarica,5512969.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Knautia'],['Knautia montana'],6,0,6.0 112958,4568,-1,,,,0.0,MS1_match,YXHFXGHAELQJGK-NYIAETJKSA-N,"InChI=1S/C22H22O11/c1-31-14-4-8(2-3-9(14)24)13-6-12(27)16-10(25)5-11(26)17(21(16)32-13)22-20(30)19(29)18(28)15(7-23)33-22/h2-6,15,18-20,22-26,28-30H,7H2,1H3/t15?,18-,19+,20?,22-/m1/s1",COc1cc(-c2cc(=O)c3c(O)cc(O)c([C@H]4OC(CO)[C@@H](O)[C@H](O)C4O)c3o2)ccc1O,C22H22O11,pos_2MNa,462.116211524,YXHFXGHAELQJGK,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Knautia montana,5512969.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Knautia'],['Knautia montana'],6,0,6.0 112959,4568,-1,,,,0.0,MS1_match,WKUHPOMCLBLCOV-MIUGBVLSSA-N,"InChI=1S/C22H22O11/c1-30-14-3-2-9(4-11(14)24)15-7-13(26)18-12(25)5-10(6-16(18)32-15)31-22-21(29)20(28)19(27)17(8-23)33-22/h2-7,17,19-25,27-29H,8H2,1H3/t17-,19-,20+,21-,22-/m1/s1",COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1O,C22H22O11,pos_2MNa,462.1162115239998,WKUHPOMCLBLCOV,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Valeriana fedtschenkoi,139316.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana longiflora'],6,0,6.0 112960,4568,-1,,,,0.0,MS1_match,WKUHPOMCLBLCOV-MIUGBVLSSA-N,"InChI=1S/C22H22O11/c1-30-14-3-2-9(4-11(14)24)15-7-13(26)18-12(25)5-10(6-16(18)32-15)31-22-21(29)20(28)19(27)17(8-23)33-22/h2-7,17,19-25,27-29H,8H2,1H3/t17-,19-,20+,21-,22-/m1/s1",COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1O,C22H22O11,pos_2MNa,462.1162115239998,WKUHPOMCLBLCOV,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Valeriana chionophila,6061606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana chionophila'],6,0,6.0 112924,4567,1241,Fatty acids,Diterpenoids,Ceramides,0.2501151,ISDB,SKUYODQAHZTUFS-LBFZIJHGSA-N,"InChI=1S/C35H71NO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(38)32(31-37)36-35(40)34(39)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h32-34,37-39H,3-31H2,1-2H3,(H,36,40)/t32-,33+,34+/m0/s1",CCCCCCCCCCCCCCC[C@@H](O)C(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCCCCC,C35H71NO4,,569.538309752,SKUYODQAHZTUFS,Fatty acids,Sphingolipids,Ceramides,Polyporus picipes,5300128.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Agaricomycetes'],['Polyporales'],['Polyporaceae'],['Unknown'],['Polyporus'],['Polyporus picipes'],1,3,3.500460386276245 112925,4567,1241,Fatty acids,Diterpenoids,Ceramides,0.2501151,ISDB,SKUYODQAHZTUFS-UHFFFAOYSA-N,"InChI=1S/C35H71NO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(38)32(31-37)36-35(40)34(39)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h32-34,37-39H,3-31H2,1-2H3,(H,36,40)",CCCCCCCCCCCCCCCC(O)C(=O)NC(CO)C(O)CCCCCCCCCCCCCCC,C35H71NO4,,569.538309752,SKUYODQAHZTUFS,Fatty acids,Sphingolipids,Ceramides,Polyporus badius,5684995.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Agaricomycetes'],['Polyporales'],['Polyporaceae'],['Unknown'],['Polyporus'],['Polyporus badius'],1,3,3.500460386276245 112926,4567,1241,Fatty acids,Diterpenoids,Ceramides,0.2501151,ISDB,SKUYODQAHZTUFS-UHFFFAOYSA-N,"InChI=1S/C35H71NO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(38)32(31-37)36-35(40)34(39)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h32-34,37-39H,3-31H2,1-2H3,(H,36,40)",CCCCCCCCCCCCCCCC(O)C(=O)NC(CO)C(O)CCCCCCCCCCCCCCC,C35H71NO4,,569.538309752,SKUYODQAHZTUFS,Fatty acids,Sphingolipids,Ceramides,Phellinus badius,33767.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Agaricomycetes'],['Hymenochaetales'],['Hymenochaetaceae'],['Unknown'],['Phellinus'],['Phellinus badius'],1,3,3.500460386276245 112927,4567,1241,Fatty acids,Diterpenoids,Ceramides,0.2501151,ISDB,SKUYODQAHZTUFS-UHFFFAOYSA-N,"InChI=1S/C35H71NO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(38)32(31-37)36-35(40)34(39)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h32-34,37-39H,3-31H2,1-2H3,(H,36,40)",CCCCCCCCCCCCCCCC(O)C(=O)NC(CO)C(O)CCCCCCCCCCCCCCC,C35H71NO4,,569.538309752,SKUYODQAHZTUFS,Fatty acids,Sphingolipids,Ceramides,Nigroporus durus,3801673.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Agaricomycetes'],['Polyporales'],['Polyporaceae'],['Unknown'],['Nigroporus'],['Nigroporus durus'],1,3,3.500460386276245 112921,4566,-1,,,,0.45373517,ISDB,IAIGXJKNILCTLY-NOKYZJAZSA-N,"InChI=1S/C20H25FO5/c1-9-10-4-5-11-19(8-10,15(9)21)13(16(23)25-3)14-18(2)12(22)6-7-20(11,14)26-17(18)24/h10-15,22H,1,4-8H2,2-3H3/t10-,11-,12+,13-,14-,15+,18-,19-,20-/m1/s1",C=C1[C@@H]2CC[C@H]3[C@@]45CC[C@H](O)[C@@](C)(C(=O)O4)[C@H]5[C@H](C(=O)OC)[C@]3(C2)[C@H]1F,C20H25FO5,,364.16860212,IAIGXJKNILCTLY,Terpenoids,Diterpenoids,Gibberellins,Fusarium fujikuroi,1067425.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Hypocreales'],['Nectriaceae'],['Unknown'],['Fusarium'],['Fusarium fujikuroi'],1,0,2.8149406909942627 112922,4566,-1,,,,0.45373517,ISDB,IAIGXJKNILCTLY-UHFFFAOYSA-N,"InChI=1S/C20H25FO5/c1-9-10-4-5-11-19(8-10,15(9)21)13(16(23)25-3)14-18(2)12(22)6-7-20(11,14)26-17(18)24/h10-15,22H,1,4-8H2,2-3H3",C=C1C2CCC3C45CCC(O)C(C)(C(=O)O4)C5C(C(=O)OC)C3(C2)C1F,C20H25FO5,,364.16860212,IAIGXJKNILCTLY,Terpenoids,Diterpenoids,Gibberellins,Gibberella fujikuroi,584890.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Hypocreales'],['Nectriaceae'],['Unknown'],['Gibberella'],['Gibberella fujikuroi'],1,0,2.8149406909942627 112920,4565,-1,,,,0.0,MS1_match,GYHJUGYOSOGTKF-UHFFFAOYSA-N,InChI=1S/C5H6O3/c6-4-1-2-5(7)8-3-4/h1-3H2,O=C1CCC(=O)OC1,C5H6O3,pos_2MK,114.031694052,GYHJUGYOSOGTKF,,,,Ranunculus sieboldii,685187.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus sieboldii'],6,0,6.0 112877,4563,22,Polyketides,Aromatic polyketides,Catechols with side chains,0.4595324,ISDB,DWNSTHXHWNEYCU-UHFFFAOYSA-N,"InChI=1S/C24H38O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-19-17-20-22(26-2)23(21)24(25)27-3/h7-8,17,19-20H,4-6,9-16,18H2,1-3H3",CCCCC=CCCCCCCCCCc1cccc(OC)c1C(=O)OC,C24H38O3,,374.2820950759999,DWNSTHXHWNEYCU,Polyketides,Aromatic polyketides,Catechols with side chains,Knema laurina,206501.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Myristicaceae'],['Unknown'],['Knema'],['Knema laurina'],4,3,7.338129639625549 112787,4559,245,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.21508002,ISDB,RGTONEMDTVVDMY-GRTPNEQMSA-N,"InChI=1S/C16H22O11/c1-2-6-7(3-10(18)19)8(14(23)24)5-25-15(6)27-16-13(22)12(21)11(20)9(4-17)26-16/h2,5-7,9,11-13,15-17,20-22H,1,3-4H2,(H,18,19)(H,23,24)/t6-,7+,9-,11-,12+,13-,15+,16+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)O)[C@H]1CC(=O)O,C16H22O11,,390.1162115239998,RGTONEMDTVVDMY,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera periclymenum,811893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera periclymenum'],7,2,8.860320091247559 112788,4559,245,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.21508002,ISDB,RGTONEMDTVVDMY-CVJRUUBTSA-N,"InChI=1S/C16H22O11/c1-2-6-7(3-10(18)19)8(14(23)24)5-25-15(6)27-16-13(22)12(21)11(20)9(4-17)26-16/h2,5-7,9,11-13,15-17,20-22H,1,3-4H2,(H,18,19)(H,23,24)/t6-,7+,9+,11+,12-,13+,15+,16-/m1/s1",C=C[C@H]1[C@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)OC=C(C(=O)O)[C@H]1CC(=O)O,C16H22O11,,390.1162115239998,RGTONEMDTVVDMY,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,2,8.860320091247559 112789,4559,245,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.21508002,ISDB,RGTONEMDTVVDMY-UHFFFAOYSA-N,"InChI=1S/C16H22O11/c1-2-6-7(3-10(18)19)8(14(23)24)5-25-15(6)27-16-13(22)12(21)11(20)9(4-17)26-16/h2,5-7,9,11-13,15-17,20-22H,1,3-4H2,(H,18,19)(H,23,24)",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)O)C1CC(=O)O,C16H22O11,,390.116211524,RGTONEMDTVVDMY,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera,649885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Unknown'],7,2,8.860320091247559 112786,4555,28,Polyketides,Aromatic polyketides,Aromatic polyketides with side chains,0.9520286,ISDB,,,,,,,YVCSXKPTXFIUHA,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,3.8081142902374268 112785,4550,-1,,,,0.0,MS1_match,PDSCSYLDRHAHOX-UHFFFAOYSA-N,"InChI=1S/C12H22O5/c1-3-5-7-16-11(14)9-10(13)12(15)17-8-6-4-2/h10,13H,3-9H2,1-2H3",CCCCOC(=O)CC(O)C(=O)OCCCC,C12H22O5,pos_2MHCH3CN,246.146723804,PDSCSYLDRHAHOX,Fatty acids,Fatty esters,Wax monoesters,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],7,0,7.0 112762,4549,173,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.2582173,ISDB,HPEFWCAKFRCLBD-UHFFFAOYSA-N,"InChI=1S/C15H16O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-6,9-11,16H,7-8H2,1H3",COc1cc(O)cc(CCc2ccccc2)c1,C15H16O2,,228.115029752,HPEFWCAKFRCLBD,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Bauhinia purpurea,560318.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Cercideae'],['Bauhinia'],['Bauhinia purpurea'],4,0,5.032869219779968 112763,4549,173,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.2582173,ISDB,HPEFWCAKFRCLBD-UHFFFAOYSA-N,"InChI=1S/C15H16O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-6,9-11,16H,7-8H2,1H3",COc1cc(O)cc(CCc2ccccc2)c1,C15H16O2,,228.115029752,HPEFWCAKFRCLBD,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Bletilla formosana,386665.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Arethuseae'],['Bletilla'],['Bletilla formosana'],4,0,5.032869219779968 112764,4549,173,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.2582173,ISDB,HPEFWCAKFRCLBD-UHFFFAOYSA-N,"InChI=1S/C15H16O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-6,9-11,16H,7-8H2,1H3",COc1cc(O)cc(CCc2ccccc2)c1,C15H16O2,,228.115029752,HPEFWCAKFRCLBD,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Dendrobium nobile,508208.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Malaxideae'],['Dendrobium'],['Dendrobium nobile'],4,0,5.032869219779968 112719,4548,-1,,,,0.5598864,ISDB,ABGLVXROVAEWNL-WDSKDSINSA-N,"InChI=1S/C7H13NO3/c1-11-5-2-3-8-6(4-5)7(9)10/h5-6,8H,2-4H2,1H3,(H,9,10)/t5-,6-/m0/s1",CO[C@H]1CCN[C@H](C(=O)O)C1,C7H13NO3,,159.089543276,ABGLVXROVAEWNL,Amino acids and Peptides,Small peptides,Aminoacids,Inga oerstediana,634780.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Ingeae'],['Inga'],['Inga oerstediana'],4,0,6.239545583724976 112720,4548,-1,,,,0.5598864,ISDB,ABGLVXROVAEWNL-WDSKDSINSA-N,"InChI=1S/C7H13NO3/c1-11-5-2-3-8-6(4-5)7(9)10/h5-6,8H,2-4H2,1H3,(H,9,10)/t5-,6-/m0/s1",CO[C@H]1CCN[C@H](C(=O)O)C1,C7H13NO3,,159.089543276,ABGLVXROVAEWNL,Amino acids and Peptides,Small peptides,Aminoacids,Inga longispica,3918971.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Ingeae'],['Inga'],['Inga longispica'],4,0,6.239545583724976 112721,4548,-1,,,,0.5598864,ISDB,ABGLVXROVAEWNL-WDSKDSINSA-N,"InChI=1S/C7H13NO3/c1-11-5-2-3-8-6(4-5)7(9)10/h5-6,8H,2-4H2,1H3,(H,9,10)/t5-,6-/m0/s1",CO[C@H]1CCN[C@H](C(=O)O)C1,C7H13NO3,,159.089543276,ABGLVXROVAEWNL,Amino acids and Peptides,Small peptides,Aminoacids,Inga sierrae,667459.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Ingeae'],['Inga'],['Inga sierrae'],4,0,6.239545583724976 112722,4548,-1,,,,0.5598864,ISDB,ABGLVXROVAEWNL-WDSKDSINSA-N,"InChI=1S/C7H13NO3/c1-11-5-2-3-8-6(4-5)7(9)10/h5-6,8H,2-4H2,1H3,(H,9,10)/t5-,6-/m0/s1",CO[C@H]1CCN[C@H](C(=O)O)C1,C7H13NO3,,159.089543276,ABGLVXROVAEWNL,Amino acids and Peptides,Small peptides,Aminoacids,Inga paterno,3919072.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Ingeae'],['Inga'],['Inga paterno'],4,0,6.239545583724976 112718,4547,62,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,HOCKGUMMVOPFFC-RHMPUOGUSA-N,"InChI=1S/C21H34O12/c1-9(2)3-14(25)33-19-15-11(4-13(24)21(15,29)8-23)10(6-30-19)7-31-20-18(28)17(27)16(26)12(5-22)32-20/h6,9,11-13,15-20,22-24,26-29H,3-5,7-8H2,1-2H3/t11-,12-,13+,15-,16-,17+,18-,19+,20-,21-/m1/s1",CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2C[C@H](O)[C@](O)(CO)[C@@H]12,C21H34O12,pos_1_1proton1ammonium,478.2050265279999,HOCKGUMMVOPFFC,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,3,7.5 112435,4546,448,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.5484605,ISDB,VZZQQZMZDJETCS-GUKRZAEASA-N,"InChI=1S/C20H20O5/c1-25-20-12-15(6-11-19(20)24)5-10-18(23)13-17(22)9-4-14-2-7-16(21)8-3-14/h2-4,6-9,11-13,21-22,24H,5,10H2,1H3/b9-4+,17-13-",COc1cc(CCC(=O)/C=C(O)/C=C/c2ccc(O)cc2)ccc1O,C20H20O5,,340.13107374,VZZQQZMZDJETCS,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Aframomum letestuanum,791472.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Aframomum'],['Aframomum letestuanum'],4,3,7.693841934204102 112433,4544,1421,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,QBYSXERNIGFSBS-UHFFFAOYSA-N,"InChI=1S/C22H32O14/c1-2-8-9-3-4-31-19(30)10(9)7-32-20(8)36-22-17(29)18(14(26)12(6-24)34-22)35-21-16(28)15(27)13(25)11(5-23)33-21/h2,7-9,11-18,20-29H,1,3-6H2",C=CC1C(OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)OC=C2C(=O)OCCC21,C22H32O14,pos_1_1proton1acetonitrile,520.179205704,QBYSXERNIGFSBS,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Dipsacus asper,365911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Dipsacus'],['Dipsacus asper'],6,3,7.5 112434,4544,1421,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,QBYSXERNIGFSBS-UHFFFAOYSA-N,"InChI=1S/C22H32O14/c1-2-8-9-3-4-31-19(30)10(9)7-32-20(8)36-22-17(29)18(14(26)12(6-24)34-22)35-21-16(28)15(27)13(25)11(5-23)33-21/h2,7-9,11-18,20-29H,1,3-6H2",C=CC1C(OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)OC=C2C(=O)OCCC21,C22H32O14,pos_1_1proton1acetonitrile,520.179205704,QBYSXERNIGFSBS,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Dipsacus inermis,776357.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Dipsacus'],['Dipsacus inermis'],6,3,7.5 112432,4542,-1,,,,0.0,MS1_match,SFLJKERWIWKVDG-TVAJMVSCSA-N,"InChI=1S/C16H26O10/c1-15(22)7-5-24-14(21)16(2,23)6(7)3-9(15)26-13-12(20)11(19)10(18)8(4-17)25-13/h6-13,17-20,22-23H,3-5H2,1-2H3/t6-,7-,8+,9-,10+,11-,12+,13-,15-,16-/m0/s1",C[C@@]1(O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C[C@H]2[C@@H]1COC(=O)[C@@]2(C)O,C16H26O10,pos_1_1proton1ammonium,378.152597032,SFLJKERWIWKVDG,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia scabra,68239.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia scabra'],6,0,6.0 112431,4539,122,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Iridoids monoterpenoids,0.22147983,ISDB,,,,,,,LSDSPQRSBDYPQZ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.8859193325042725 112377,4537,-1,,,,0.40773675,ISDB,AGHYYIRUYLLBAR-DOTOQJQBSA-N,"InChI=1S/C19H32O4/c1-15(20)9-7-5-3-2-4-6-8-10-17(21)11-16-12-18(22)14-19(23)13-16/h12-15,17,20-23H,2-11H2,1H3/t15-,17+/m0/s1",C[C@H](O)CCCCCCCCC[C@@H](O)Cc1cc(O)cc(O)c1,C19H32O4,,324.230059504,AGHYYIRUYLLBAR,Polyketides,,,Ononis pubescens,323322.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Ononis'],['Ononis pubescens'],4,0,5.63094699382782 112333,4536,1000,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,CSKKDSFETGLMSB-QOMIBOLPSA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11-,12-,13+,14-,16+,17-/m1/s1",C=C[C@H]1[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC=O,C17H24O10,pos_1_1proton1acetonitrile,388.136946968,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera periclymenum,811893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera periclymenum'],8,3,9.5 112334,4536,1000,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,CSKKDSFETGLMSB-QOMIBOLPSA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11-,12-,13+,14-,16+,17-/m1/s1",C=C[C@H]1[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC=O,C17H24O10,pos_1_1proton1acetonitrile,388.136946968,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera periclymenum,811893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera periclymenum'],8,3,9.5 112115,4535,467,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.51427764,ISDB,HPPDWCXQOXACSB-SCZZXKLOSA-N,"InChI=1S/C10H12O3/c1-6(4-11)8-3-10(13)7(2)9(8)5-12/h4-5,8,10,13H,1,3H2,2H3/t8-,10+/m1/s1",C=C(C=O)[C@H]1C[C@H](O)C(C)=C1C=O,C10H12O3,,180.078644244,HPPDWCXQOXACSB,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Centranthus ruber,759056.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Centranthus'],['Centranthus ruber'],6,3,9.55711054801941 112110,4534,173,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.47733334,ISDB,,,,,,,CSXCBIKURHSKER,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.909333348274231 112096,4528,173,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BGDMXWQJUGENQP-QPCLWJSESA-N,"InChI=1S/C21H34O11/c1-9(2)3-15(25)32-20-16-11(4-13(24)12(16)5-22)10(7-29-20)8-30-21-19(28)18(27)17(26)14(6-23)31-21/h7,9,11-14,16-24,26-28H,3-6,8H2,1-2H3/t11-,12+,13+,14-,16+,17-,18+,19-,20+,21-/m1/s1",CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2C[C@H](O)[C@H](CO)[C@@H]12,C21H34O11,pos_1_1proton,462.2101119079999,BGDMXWQJUGENQP,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,3,7.5 112097,4528,173,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BGDMXWQJUGENQP-QPCLWJSESA-N,"InChI=1S/C21H34O11/c1-9(2)3-15(25)32-20-16-11(4-13(24)12(16)5-22)10(7-29-20)8-30-21-19(28)18(27)17(26)14(6-23)31-21/h7,9,11-14,16-24,26-28H,3-6,8H2,1-2H3/t11-,12+,13+,14-,16+,17-,18+,19-,20+,21-/m1/s1",CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2C[C@H](O)[C@H](CO)[C@@H]12,C21H34O11,pos_1_1proton,462.2101119079999,BGDMXWQJUGENQP,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana fauriei,228778.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana fauriei'],6,3,7.5 112098,4528,173,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BGDMXWQJUGENQP-QPCLWJSESA-N,"InChI=1S/C21H34O11/c1-9(2)3-15(25)32-20-16-11(4-13(24)12(16)5-22)10(7-29-20)8-30-21-19(28)18(27)17(26)14(6-23)31-21/h7,9,11-14,16-24,26-28H,3-6,8H2,1-2H3/t11-,12+,13+,14-,16+,17-,18+,19-,20+,21-/m1/s1",CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2C[C@H](O)[C@H](CO)[C@@H]12,C21H34O11,pos_1_1proton,462.2101119079999,BGDMXWQJUGENQP,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia gibbosa,231859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia gibbosa'],6,3,7.5 112099,4528,173,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BGDMXWQJUGENQP-UHFFFAOYSA-N,"InChI=1S/C21H34O11/c1-9(2)3-15(25)32-20-16-11(4-13(24)12(16)5-22)10(7-29-20)8-30-21-19(28)18(27)17(26)14(6-23)31-21/h7,9,11-14,16-24,26-28H,3-6,8H2,1-2H3",CC(C)CC(=O)OC1OC=C(COC2OC(CO)C(O)C(O)C2O)C2CC(O)C(CO)C12,C21H34O11,pos_1_1proton,462.2101119079999,BGDMXWQJUGENQP,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia scabiosifolia,231856.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia scabiosifolia'],6,3,7.5 112100,4528,173,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BGDMXWQJUGENQP-QPCLWJSESA-N,"InChI=1S/C21H34O11/c1-9(2)3-15(25)32-20-16-11(4-13(24)12(16)5-22)10(7-29-20)8-30-21-19(28)18(27)17(26)14(6-23)31-21/h7,9,11-14,16-24,26-28H,3-6,8H2,1-2H3/t11-,12+,13+,14-,16+,17-,18+,19-,20+,21-/m1/s1",CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2C[C@H](O)[C@H](CO)[C@@H]12,C21H34O11,pos_1_1proton,462.2101119079999,BGDMXWQJUGENQP,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,3,7.5 112101,4528,173,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BGDMXWQJUGENQP-QPCLWJSESA-N,"InChI=1S/C21H34O11/c1-9(2)3-15(25)32-20-16-11(4-13(24)12(16)5-22)10(7-29-20)8-30-21-19(28)18(27)17(26)14(6-23)31-21/h7,9,11-14,16-24,26-28H,3-6,8H2,1-2H3/t11-,12+,13+,14-,16+,17-,18+,19-,20+,21-/m1/s1",CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2C[C@H](O)[C@H](CO)[C@@H]12,C21H34O11,pos_1_1proton,462.2101119079999,BGDMXWQJUGENQP,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana fauriei,228778.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana fauriei'],6,3,7.5 112102,4528,173,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BGDMXWQJUGENQP-QPCLWJSESA-N,"InChI=1S/C21H34O11/c1-9(2)3-15(25)32-20-16-11(4-13(24)12(16)5-22)10(7-29-20)8-30-21-19(28)18(27)17(26)14(6-23)31-21/h7,9,11-14,16-24,26-28H,3-6,8H2,1-2H3/t11-,12+,13+,14-,16+,17-,18+,19-,20+,21-/m1/s1",CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2C[C@H](O)[C@H](CO)[C@@H]12,C21H34O11,pos_1_1proton,462.2101119079999,BGDMXWQJUGENQP,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia gibbosa,231859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia gibbosa'],6,3,7.5 112103,4528,173,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BGDMXWQJUGENQP-UHFFFAOYSA-N,"InChI=1S/C21H34O11/c1-9(2)3-15(25)32-20-16-11(4-13(24)12(16)5-22)10(7-29-20)8-30-21-19(28)18(27)17(26)14(6-23)31-21/h7,9,11-14,16-24,26-28H,3-6,8H2,1-2H3",CC(C)CC(=O)OC1OC=C(COC2OC(CO)C(O)C(O)C2O)C2CC(O)C(CO)C12,C21H34O11,pos_1_1proton,462.2101119079999,BGDMXWQJUGENQP,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia scabiosifolia,231856.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia scabiosifolia'],6,3,7.5 112104,4528,173,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,RKKLMLPXHGWOKI-FXHXVMKNSA-N,"InChI=1S/C21H34O11/c1-10-5-31-21(11(2)3-4-12(10)21)9-30-18-16(25)15(24)14(23)13(32-18)6-28-19-17(26)20(27,7-22)8-29-19/h3,10,12-19,22-27H,4-9H2,1-2H3/t10-,12-,13-,14-,15+,16-,17+,18-,19-,20-,21-/m1/s1",CC1=CC[C@@H]2[C@H](C)CO[C@]12CO[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C21H34O11,pos_1_1proton,462.2101119079999,RKKLMLPXHGWOKI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia scabra,68239.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia scabra'],6,3,7.5 112105,4528,173,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LANCLZFYVLANQS-RHMPUOGUSA-N,"InChI=1S/C21H34O11/c1-9(2)4-14(24)32-19-15-11(5-13(23)21(15,3)28)10(7-29-19)8-30-20-18(27)17(26)16(25)12(6-22)31-20/h7,9,11-13,15-20,22-23,25-28H,4-6,8H2,1-3H3/t11-,12-,13+,15-,16-,17+,18-,19+,20-,21-/m1/s1",CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2C[C@H](O)[C@@](C)(O)[C@@H]12,C21H34O11,pos_1_1proton,462.210111908,LANCLZFYVLANQS,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,3,7.5 112106,4528,173,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LANCLZFYVLANQS-RHMPUOGUSA-N,"InChI=1S/C21H34O11/c1-9(2)4-14(24)32-19-15-11(5-13(23)21(15,3)28)10(7-29-19)8-30-20-18(27)17(26)16(25)12(6-22)31-20/h7,9,11-13,15-20,22-23,25-28H,4-6,8H2,1-3H3/t11-,12-,13+,15-,16-,17+,18-,19+,20-,21-/m1/s1",CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2C[C@H](O)[C@@](C)(O)[C@@H]12,C21H34O11,pos_1_1proton,462.210111908,LANCLZFYVLANQS,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia gibbosa,231859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia gibbosa'],6,3,7.5 112095,4527,280,Alkaloids,Monoterpenoids,Terpenoid alkaloids,0.63257724,ISDB,,,,,,,QOIGAYNTLXGYBM,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.530308961868286 112031,4525,498,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,AMBQHHVBBHTQBF-UOUCRYGSSA-N,"InChI=1S/C17H26O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6-,7+,9-,10+,11+,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](C)[C@@H](O)C[C@H]12,C17H26O10,pos_1_1proton1ammonium,390.1525970319999,AMBQHHVBBHTQBF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera periclymenum,811893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera periclymenum'],8,3,9.5 112032,4525,498,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,AMBQHHVBBHTQBF-UOUCRYGSSA-N,"InChI=1S/C17H26O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6-,7+,9-,10+,11+,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](C)[C@@H](O)C[C@H]12,C17H26O10,pos_1_1proton1ammonium,390.1525970319999,AMBQHHVBBHTQBF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera periclymenum,811893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera periclymenum'],8,3,9.5 112029,4524,-1,,,,0.0,MS1_match,QBYSXERNIGFSBS-UHFFFAOYSA-N,"InChI=1S/C22H32O14/c1-2-8-9-3-4-31-19(30)10(9)7-32-20(8)36-22-17(29)18(14(26)12(6-24)34-22)35-21-16(28)15(27)13(25)11(5-23)33-21/h2,7-9,11-18,20-29H,1,3-6H2",C=CC1C(OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)OC=C2C(=O)OCCC21,C22H32O14,pos_2_2sodium,520.179205704,QBYSXERNIGFSBS,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Dipsacus asper,365911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Dipsacus'],['Dipsacus asper'],6,0,6.0 112030,4524,-1,,,,0.0,MS1_match,QBYSXERNIGFSBS-UHFFFAOYSA-N,"InChI=1S/C22H32O14/c1-2-8-9-3-4-31-19(30)10(9)7-32-20(8)36-22-17(29)18(14(26)12(6-24)34-22)35-21-16(28)15(27)13(25)11(5-23)33-21/h2,7-9,11-18,20-29H,1,3-6H2",C=CC1C(OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)OC=C2C(=O)OCCC21,C22H32O14,pos_2_2sodium,520.179205704,QBYSXERNIGFSBS,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Dipsacus inermis,776357.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Dipsacus'],['Dipsacus inermis'],6,0,6.0 112022,4522,173,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.21313082,ISDB,CHXKWWFZFWRSQU-CGFWMYSESA-N,"InChI=1S/C15H24O6/c1-14(20,6-17)10-9-8-4-3-7(5-16)15(8,2)12(18)11(10)21-13(9)19/h7-12,16-18,20H,3-6H2,1-2H3/t7-,8-,9+,10+,11+,12+,14-,15+/m0/s1",C[C@@]12[C@H](CO)CC[C@H]1[C@H]1C(=O)O[C@H]([C@@H]1[C@@](C)(O)CO)[C@H]2O,C15H24O6,,300.157288488,CHXKWWFZFWRSQU,Terpenoids,Sesquiterpenoids,Picrotoxane sesquiterpenoids,Dendrobium nobile,508208.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Malaxideae'],['Dendrobium'],['Dendrobium nobile'],4,1,5.3525232672691345 112016,4521,147,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,SMFKCIHIAHWGGL-LQMUPLJOSA-N,"InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(13(21)8-17)26-14(22)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-21,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m0/s1",COC(=O)[C@]1(O)C[C@H](O)[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](O)C1,C17H20O9,pos_1_1proton1acetonitrile,368.11073222,SMFKCIHIAHWGGL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera bournei,5746380.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera bournei'],7,3,8.5 112017,4521,147,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,SMFKCIHIAHWGGL-LQMUPLJOSA-N,"InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(13(21)8-17)26-14(22)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-21,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m0/s1",COC(=O)[C@]1(O)C[C@H](O)[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](O)C1,C17H20O9,pos_1_1proton1acetonitrile,368.11073222,SMFKCIHIAHWGGL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera bournei,5746380.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera bournei'],7,3,8.5 112018,4521,147,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MZNIJRAPCCELQX-LQMUPLJOSA-N,"InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m0/s1",COC(=O)[C@]1(O)C[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](O)[C@@H](O)C1,C17H20O9,pos_1_1proton1acetonitrile,368.1107322199999,MZNIJRAPCCELQX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera bournei,5746380.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera bournei'],7,3,8.5 112019,4521,147,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MZNIJRAPCCELQX-AWOKGZDASA-N,"InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m1/s1",COC(=O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1,C17H20O9,pos_1_1proton1acetonitrile,368.1107322199999,MZNIJRAPCCELQX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 112020,4521,147,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MZNIJRAPCCELQX-LQMUPLJOSA-N,"InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m0/s1",COC(=O)[C@]1(O)C[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](O)[C@@H](O)C1,C17H20O9,pos_1_1proton1acetonitrile,368.1107322199999,MZNIJRAPCCELQX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera bournei,5746380.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera bournei'],7,3,8.5 112021,4521,147,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MZNIJRAPCCELQX-AWOKGZDASA-N,"InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m1/s1",COC(=O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1,C17H20O9,pos_1_1proton1acetonitrile,368.1107322199999,MZNIJRAPCCELQX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 112009,4520,228,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.54685026,ISDB,QSGZRCKKGZPIIZ-RPXSYWBFSA-N,"InChI=1S/C21H38O11/c1-11(5-4-7-21(2,3)28)6-8-29-20-18(27)16(25)15(24)13(32-20)10-31-19-17(26)14(23)12(22)9-30-19/h6,12-20,22-28H,4-5,7-10H2,1-3H3/b11-6+/t12-,13+,14+,15+,16-,17+,18+,19-,20+/m0/s1",C/C(=C\CO[C@@H]1O[C@H](CO[C@@H]2OC[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)CCCC(C)(C)O,C21H38O11,,466.241412036,QSGZRCKKGZPIIZ,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rhodiola rosea,914930.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Rhodiola'],['Rhodiola rosea'],4,3,7.687401056289673 112010,4520,228,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.54685026,ISDB,QSGZRCKKGZPIIZ-RPXSYWBFSA-N,"InChI=1S/C21H38O11/c1-11(5-4-7-21(2,3)28)6-8-29-20-18(27)16(25)15(24)13(32-20)10-31-19-17(26)14(23)12(22)9-30-19/h6,12-20,22-28H,4-5,7-10H2,1-3H3/b11-6+/t12-,13+,14+,15+,16-,17+,18+,19-,20+/m0/s1",C/C(=C\CO[C@@H]1O[C@H](CO[C@@H]2OC[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)CCCC(C)(C)O,C21H38O11,,466.241412036,QSGZRCKKGZPIIZ,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rhodiola sachalinensis,581648.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Rhodiola'],['Rhodiola sachalinensis'],4,3,7.687401056289673 112011,4520,228,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.54685026,ISDB,QSGZRCKKGZPIIZ-UHFFFAOYSA-N,"InChI=1S/C21H38O11/c1-11(5-4-7-21(2,3)28)6-8-29-20-18(27)16(25)15(24)13(32-20)10-31-19-17(26)14(23)12(22)9-30-19/h6,12-20,22-28H,4-5,7-10H2,1-3H3",CC(=CCOC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O)CCCC(C)(C)O,C21H38O11,,466.241412036,QSGZRCKKGZPIIZ,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rhodiola crenulata,1024602.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Rhodiola'],['Rhodiola crenulata'],4,3,7.687401056289673 112001,4517,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,MBNGWHIJMBWFHU-UHFFFAOYSA-N,"InChI=1S/C16H12O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-7,17-19H,1H3",COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1O,C16H12O6,pos_1_1proton,300.063388104,MBNGWHIJMBWFHU,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Valeriana rossica,6061718.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana rossica'],6,2,7.0 112002,4517,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,MBNGWHIJMBWFHU-UHFFFAOYSA-N,"InChI=1S/C16H12O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-7,17-19H,1H3",COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1O,C16H12O6,pos_1_1proton,300.063388104,MBNGWHIJMBWFHU,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Valeriana amurensis,245959.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana amurensis'],6,2,7.0 112003,4517,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,MBNGWHIJMBWFHU-UHFFFAOYSA-N,"InChI=1S/C16H12O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-7,17-19H,1H3",COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1O,C16H12O6,pos_1_1proton,300.063388104,MBNGWHIJMBWFHU,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Valeriana eriophylla,6061633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana eriophylla'],6,2,7.0 112004,4517,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,MBNGWHIJMBWFHU-UHFFFAOYSA-N,"InChI=1S/C16H12O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-7,17-19H,1H3",COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1O,C16H12O6,pos_1_1proton,300.063388104,MBNGWHIJMBWFHU,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Valeriana cardamines,6061598.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana cardamines'],6,2,7.0 112005,4517,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,MBNGWHIJMBWFHU-UHFFFAOYSA-N,"InChI=1S/C16H12O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-7,17-19H,1H3",COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1O,C16H12O6,pos_1_1proton,300.063388104,MBNGWHIJMBWFHU,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Valeriana ficariifolia,5746450.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana ficariifolia'],6,2,7.0 112006,4517,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,MBNGWHIJMBWFHU-UHFFFAOYSA-N,"InChI=1S/C16H12O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-7,17-19H,1H3",COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1O,C16H12O6,pos_1_1proton,300.063388104,MBNGWHIJMBWFHU,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Valeriana chionophila,6061606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana chionophila'],6,2,7.0 112007,4517,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,MBNGWHIJMBWFHU-UHFFFAOYSA-N,"InChI=1S/C16H12O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-7,17-19H,1H3",COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1O,C16H12O6,pos_1_1proton,300.063388104,MBNGWHIJMBWFHU,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Valeriana fedtschenkoi,139316.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana longiflora'],6,2,7.0 112008,4517,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,MBNGWHIJMBWFHU-UHFFFAOYSA-N,"InChI=1S/C16H12O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-7,17-19H,1H3",COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1O,C16H12O6,pos_1_1proton,300.063388104,MBNGWHIJMBWFHU,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Valeriana laxiflora,844983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana laxiflora'],6,2,7.0 111987,4514,-1,,,,0.0,MS1_match,PUEUIRDVQIKCCG-UHFFFAOYSA-N,"InChI=1S/C16H22O10/c1-2-7-8(3-4-17)9(14(22)23)6-24-15(7)26-16-13(21)12(20)11(19)10(5-18)25-16/h2,4,6-8,10-13,15-16,18-21H,1,3,5H2,(H,22,23)",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)O)C1CC=O,C16H22O10,pos_2MNa,374.1212969039999,PUEUIRDVQIKCCG,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],8,0,8.0 111988,4514,-1,,,,0.0,MS1_match,PUEUIRDVQIKCCG-UHFFFAOYSA-N,"InChI=1S/C16H22O10/c1-2-7-8(3-4-17)9(14(22)23)6-24-15(7)26-16-13(21)12(20)11(19)10(5-18)25-16/h2,4,6-8,10-13,15-16,18-21H,1,3,5H2,(H,22,23)",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)O)C1CC=O,C16H22O10,pos_2MNa,374.1212969039999,PUEUIRDVQIKCCG,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],8,0,8.0 111923,4510,-1,,,,0.0,MS1_match,AMBQHHVBBHTQBF-UOUCRYGSSA-N,"InChI=1S/C17H26O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6-,7+,9-,10+,11+,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](C)[C@@H](O)C[C@H]12,C17H26O10,pos_1_1potassium,390.1525970319999,AMBQHHVBBHTQBF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],8,0,8.0 111924,4510,-1,,,,0.0,MS1_match,AMBQHHVBBHTQBF-UOUCRYGSSA-N,"InChI=1S/C17H26O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6-,7+,9-,10+,11+,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](C)[C@@H](O)C[C@H]12,C17H26O10,pos_1_1potassium,390.1525970319999,AMBQHHVBBHTQBF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera periclymenum,811893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera periclymenum'],8,0,8.0 111925,4510,-1,,,,0.0,MS1_match,AMBQHHVBBHTQBF-UOUCRYGSSA-N,"InChI=1S/C17H26O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6-,7+,9-,10+,11+,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](C)[C@@H](O)C[C@H]12,C17H26O10,pos_1_1potassium,390.1525970319999,AMBQHHVBBHTQBF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera periclymenum,811893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera periclymenum'],8,0,8.0 111926,4510,-1,,,,0.0,MS1_match,AMBQHHVBBHTQBF-UOUCRYGSSA-N,"InChI=1S/C17H26O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6-,7+,9-,10+,11+,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](C)[C@@H](O)C[C@H]12,C17H26O10,pos_1_1potassium,390.1525970319999,AMBQHHVBBHTQBF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],8,0,8.0 111859,4505,-1,,,,0.0,MS1_match,AMBQHHVBBHTQBF-UOUCRYGSSA-N,"InChI=1S/C17H26O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6-,7+,9-,10+,11+,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](C)[C@@H](O)C[C@H]12,C17H26O10,pos_2MNa,390.1525970319999,AMBQHHVBBHTQBF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],8,0,8.0 111860,4505,-1,,,,0.0,MS1_match,AMBQHHVBBHTQBF-UOUCRYGSSA-N,"InChI=1S/C17H26O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6-,7+,9-,10+,11+,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](C)[C@@H](O)C[C@H]12,C17H26O10,pos_2MNa,390.1525970319999,AMBQHHVBBHTQBF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],8,0,8.0 111856,4504,280,Alkaloids,Monoterpenoids,Terpenoid alkaloids,0.3854187,ISDB,IGLFDZPSOHOIMY-UHFFFAOYSA-N,"InChI=1S/C15H19NO7/c1-21-10-6-8(4-5-16)2-3-9(10)22-15-14(20)13(19)12(18)11(7-17)23-15/h2-3,6,11-15,17-20H,4,7H2,1H3",COc1cc(CC#N)ccc1OC1OC(CO)C(O)C(O)C1O,C15H19NO7,,325.116151948,IGLFDZPSOHOIMY,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Hydrangea macrophylla,162001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Hydrangeaceae'],['Hydrangeeae'],['Hydrangea'],['Hydrangea macrophylla'],4,0,5.541674852371216 111846,4503,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,UFCLZKMFXSILNL-UHFFFAOYSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(35,24(33)34)11-19(30)23(20)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,35H,11-12H2,(H,33,34)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1OC(=O)C=Cc1ccc(O)c(O)c1,C25H24O12,pos_2MHNH3,516.1267762079999,UFCLZKMFXSILNL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],8,3,9.5 111847,4503,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,UFCLZKMFXSILNL-UHFFFAOYSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(35,24(33)34)11-19(30)23(20)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,35H,11-12H2,(H,33,34)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1OC(=O)C=Cc1ccc(O)c(O)c1,C25H24O12,pos_2MHNH3,516.1267762079999,UFCLZKMFXSILNL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],8,3,9.5 111848,4503,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,UFCLZKMFXSILNL-UHFFFAOYSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(35,24(33)34)11-19(30)23(20)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,35H,11-12H2,(H,33,34)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1OC(=O)C=Cc1ccc(O)c(O)c1,C25H24O12,pos_2MHNH3,516.1267762079999,UFCLZKMFXSILNL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],8,3,9.5 111838,4502,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,JUJTUEBXXGRSJB-MTAKFWDWSA-N,"InChI=1S/C17H26O9/c1-3-9-10-4-12(22-2)23-6-8(10)7-24-16(9)26-17-15(21)14(20)13(19)11(5-18)25-17/h3,7,9-21H,1,4-6H2,2H3/t9-,10-,11-,12-,13-,14+,15-,16+,17+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2CO[C@@H](OC)C[C@H]21,C17H26O9,pos_1_1proton,374.1576824119999,JUJTUEBXXGRSJB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,2,8.0 111831,4499,-1,,,,0.0,MS1_match,FILRFEXGRQEKMM-ZYAMGDOSSA-N,"InChI=1S/C16H26O9/c1-6-7-3-10(16(2,22)14(7)23-5-8(6)18)25-15-13(21)12(20)11(19)9(4-17)24-15/h6-7,9-15,17,19-22H,3-5H2,1-2H3/t6-,7-,9-,10+,11-,12+,13-,14+,15+,16-/m1/s1",C[C@H]1C(=O)CO[C@H]2[C@@H]1C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@]2(C)O,C16H26O9,pos_1_sodium,362.157682412,FILRFEXGRQEKMM,Terpenoids,Monoterpenoids,,Patrinia scabra,68239.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia scabra'],6,0,6.0 111832,4499,-1,,,,0.0,MS1_match,DPBCFTHDJGXWRI-ZYAMGDOSSA-N,"InChI=1S/C16H26O9/c1-6-7-3-10(19)16(2,14(7)23-5-8(6)18)25-15-13(22)12(21)11(20)9(4-17)24-15/h6-7,9-15,17,19-22H,3-5H2,1-2H3/t6-,7-,9-,10+,11-,12+,13-,14+,15+,16-/m1/s1",C[C@H]1C(=O)CO[C@H]2[C@@H]1C[C@H](O)[C@@]2(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H26O9,pos_1_sodium,362.157682412,DPBCFTHDJGXWRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia scabra,68239.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia scabra'],6,0,6.0 111833,4499,-1,,,,0.0,MS1_match,DBLVGADGVDUSHJ-XBNYBDERSA-N,"InChI=1S/C16H26O9/c1-6-7-3-10(18)16(2,8(7)5-23-14(6)22)25-15-13(21)12(20)11(19)9(4-17)24-15/h6-13,15,17-21H,3-5H2,1-2H3/t6-,7-,8+,9-,10+,11-,12+,13-,15+,16+/m1/s1",C[C@H]1C(=O)OC[C@H]2[C@@H]1C[C@H](O)[C@@]2(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H26O9,pos_1_sodium,362.157682412,DBLVGADGVDUSHJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia scabra,68239.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia scabra'],6,0,6.0 111834,4499,-1,,,,0.0,MS1_match,DBLVGADGVDUSHJ-RLIMOHGTSA-N,"InChI=1S/C16H26O9/c1-6-7-3-10(18)16(2,8(7)5-23-14(6)22)25-15-13(21)12(20)11(19)9(4-17)24-15/h6-13,15,17-21H,3-5H2,1-2H3/t6-,7+,8-,9-,10+,11-,12+,13-,15+,16+/m1/s1",C[C@H]1C(=O)OC[C@@H]2[C@H]1C[C@H](O)[C@@]2(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H26O9,pos_1_sodium,362.157682412,DBLVGADGVDUSHJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia villosa,971855.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia villosa'],6,0,6.0 111835,4499,-1,,,,0.0,MS1_match,RAKWYUWXLTYDQR-LTPIHACHSA-N,"InChI=1S/C16H26O9/c1-6-7-2-10(8(3-17)9(7)5-23-15(6)22)24-16-14(21)13(20)12(19)11(4-18)25-16/h6-14,16-21H,2-5H2,1H3/t6-,7-,8-,9+,10+,11-,12-,13+,14-,16-/m1/s1",C[C@H]1C(=O)OC[C@@H]2[C@@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C[C@@H]21,C16H26O9,pos_1_sodium,362.157682412,RAKWYUWXLTYDQR,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia gibbosa,231859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia gibbosa'],6,0,6.0 111836,4499,-1,,,,0.0,MS1_match,ZHEBCILICLSWEG-XBNYBDERSA-N,"InChI=1S/C16H26O9/c1-6-7-3-10(16(2,22)8(7)5-23-14(6)21)25-15-13(20)12(19)11(18)9(4-17)24-15/h6-13,15,17-20,22H,3-5H2,1-2H3/t6-,7-,8+,9-,10+,11-,12+,13-,15+,16+/m1/s1",C[C@H]1C(=O)OC[C@H]2[C@@H]1C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@]2(C)O,C16H26O9,pos_1_sodium,362.15768241199993,ZHEBCILICLSWEG,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia scabra,68239.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia scabra'],6,0,6.0 111837,4499,-1,,,,0.0,MS1_match,ZHEBCILICLSWEG-XBNYBDERSA-N,"InChI=1S/C16H26O9/c1-6-7-3-10(16(2,22)8(7)5-23-14(6)21)25-15-13(20)12(19)11(18)9(4-17)24-15/h6-13,15,17-20,22H,3-5H2,1-2H3/t6-,7-,8+,9-,10+,11-,12+,13-,15+,16+/m1/s1",C[C@H]1C(=O)OC[C@H]2[C@@H]1C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@]2(C)O,C16H26O9,pos_1_sodium,362.15768241199993,ZHEBCILICLSWEG,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia scabra,68239.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia scabra'],6,0,6.0 111805,4498,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,YXHFXGHAELQJGK-NYIAETJKSA-N,"InChI=1S/C22H22O11/c1-31-14-4-8(2-3-9(14)24)13-6-12(27)16-10(25)5-11(26)17(21(16)32-13)22-20(30)19(29)18(28)15(7-23)33-22/h2-6,15,18-20,22-26,28-30H,7H2,1H3/t15?,18-,19+,20?,22-/m1/s1",COc1cc(-c2cc(=O)c3c(O)cc(O)c([C@H]4OC(CO)[C@@H](O)[C@H](O)C4O)c3o2)ccc1O,C22H22O11,pos_2MH,462.116211524,YXHFXGHAELQJGK,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Knautia tatarica,5512969.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Knautia'],['Knautia montana'],6,2,7.0 111806,4498,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,WKUHPOMCLBLCOV-MIUGBVLSSA-N,"InChI=1S/C22H22O11/c1-30-14-3-2-9(4-11(14)24)15-7-13(26)18-12(25)5-10(6-16(18)32-15)31-22-21(29)20(28)19(27)17(8-23)33-22/h2-7,17,19-25,27-29H,8H2,1H3/t17-,19-,20+,21-,22-/m1/s1",COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1O,C22H22O11,pos_2MH,462.1162115239998,WKUHPOMCLBLCOV,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Valeriana chionophila,6061606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana chionophila'],6,2,7.0 111807,4498,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,WKUHPOMCLBLCOV-MIUGBVLSSA-N,"InChI=1S/C22H22O11/c1-30-14-3-2-9(4-11(14)24)15-7-13(26)18-12(25)5-10(6-16(18)32-15)31-22-21(29)20(28)19(27)17(8-23)33-22/h2-7,17,19-25,27-29H,8H2,1H3/t17-,19-,20+,21-,22-/m1/s1",COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1O,C22H22O11,pos_2MH,462.1162115239998,WKUHPOMCLBLCOV,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Valeriana fedtschenkoi,139316.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana longiflora'],6,2,7.0 111808,4498,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JSUJHPSAVAWXEN-UHFFFAOYSA-N,"InChI=1S/C22H22O11/c1-30-14-7-13-16(11(25)6-12(31-13)9-2-4-10(24)5-3-9)18(27)21(14)33-22-20(29)19(28)17(26)15(8-23)32-22/h2-7,15,17,19-20,22-24,26-29H,8H2,1H3",COc1cc2oc(-c3ccc(O)cc3)cc(=O)c2c(O)c1OC1OC(CO)C(O)C(O)C1O,C22H22O11,pos_2MH,462.116211524,JSUJHPSAVAWXEN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cephalaria gigantea,3892199.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Cephalaria'],['Cephalaria gigantea'],6,2,7.0 111809,4498,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JSUJHPSAVAWXEN-SNRPTINQSA-N,"InChI=1S/C22H22O11/c1-30-14-7-13-16(11(25)6-12(31-13)9-2-4-10(24)5-3-9)18(27)21(14)33-22-20(29)19(28)17(26)15(8-23)32-22/h2-7,15,17,19-20,22-24,26-29H,8H2,1H3/t15-,17-,19+,20-,22+/m0/s1",COc1cc2oc(-c3ccc(O)cc3)cc(=O)c2c(O)c1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O,C22H22O11,pos_2MH,462.1162115239998,JSUJHPSAVAWXEN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Lomelosia olgae,6061317.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lomelosia'],['Lomelosia olgae'],6,2,7.0 111810,4498,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JSUJHPSAVAWXEN-SNRPTINQSA-N,"InChI=1S/C22H22O11/c1-30-14-7-13-16(11(25)6-12(31-13)9-2-4-10(24)5-3-9)18(27)21(14)33-22-20(29)19(28)17(26)15(8-23)32-22/h2-7,15,17,19-20,22-24,26-29H,8H2,1H3/t15-,17-,19+,20-,22+/m0/s1",COc1cc2oc(-c3ccc(O)cc3)cc(=O)c2c(O)c1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O,C22H22O11,pos_2MH,462.1162115239998,JSUJHPSAVAWXEN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Scabiosa atropurpurea,900954.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Scabiosa'],['Scabiosa atropurpurea'],6,2,7.0 111811,4498,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JSUJHPSAVAWXEN-UHFFFAOYSA-N,"InChI=1S/C22H22O11/c1-30-14-7-13-16(11(25)6-12(31-13)9-2-4-10(24)5-3-9)18(27)21(14)33-22-20(29)19(28)17(26)15(8-23)32-22/h2-7,15,17,19-20,22-24,26-29H,8H2,1H3",COc1cc2oc(-c3ccc(O)cc3)cc(=O)c2c(O)c1OC1OC(CO)C(O)C(O)C1O,C22H22O11,pos_2MH,462.116211524,JSUJHPSAVAWXEN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cephalaria gigantea,3892199.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Cephalaria'],['Cephalaria gigantea'],6,2,7.0 111812,4498,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JSUJHPSAVAWXEN-SNRPTINQSA-N,"InChI=1S/C22H22O11/c1-30-14-7-13-16(11(25)6-12(31-13)9-2-4-10(24)5-3-9)18(27)21(14)33-22-20(29)19(28)17(26)15(8-23)32-22/h2-7,15,17,19-20,22-24,26-29H,8H2,1H3/t15-,17-,19+,20-,22+/m0/s1",COc1cc2oc(-c3ccc(O)cc3)cc(=O)c2c(O)c1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O,C22H22O11,pos_2MH,462.1162115239998,JSUJHPSAVAWXEN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Lomelosia olgae,6061317.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lomelosia'],['Lomelosia olgae'],6,2,7.0 111813,4498,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JSUJHPSAVAWXEN-SNRPTINQSA-N,"InChI=1S/C22H22O11/c1-30-14-7-13-16(11(25)6-12(31-13)9-2-4-10(24)5-3-9)18(27)21(14)33-22-20(29)19(28)17(26)15(8-23)32-22/h2-7,15,17,19-20,22-24,26-29H,8H2,1H3/t15-,17-,19+,20-,22+/m0/s1",COc1cc2oc(-c3ccc(O)cc3)cc(=O)c2c(O)c1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O,C22H22O11,pos_2MH,462.1162115239998,JSUJHPSAVAWXEN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Scabiosa atropurpurea,900954.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Scabiosa'],['Scabiosa atropurpurea'],6,2,7.0 111814,4498,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,DLVLXOYLQKCAME-UHFFFAOYSA-N,"InChI=1S/C22H22O11/c1-31-13-6-14-16(11(26)5-12(32-14)8-2-3-9(24)10(25)4-8)19(28)17(13)22-21(30)20(29)18(27)15(7-23)33-22/h2-6,15,18,20-25,27-30H,7H2,1H3",COc1cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c(O)c1C1OC(CO)C(O)C(O)C1O,C22H22O11,pos_2MH,462.116211524,DLVLXOYLQKCAME,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cephalaria leucantha,518016.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Cephalaria'],['Cephalaria leucantha'],6,2,7.0 111815,4498,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,DLVLXOYLQKCAME-DGHBBABESA-N,"InChI=1S/C22H22O11/c1-31-13-6-14-16(11(26)5-12(32-14)8-2-3-9(24)10(25)4-8)19(28)17(13)22-21(30)20(29)18(27)15(7-23)33-22/h2-6,15,18,20-25,27-30H,7H2,1H3/t15-,18-,20+,21-,22+/m1/s1",COc1cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c(O)c1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C22H22O11,pos_2MH,462.1162115239999,DLVLXOYLQKCAME,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cephalaria uralensis,518016.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Cephalaria'],['Cephalaria leucantha'],6,2,7.0 111816,4498,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,DLVLXOYLQKCAME-DGHBBABESA-N,"InChI=1S/C22H22O11/c1-31-13-6-14-16(11(26)5-12(32-14)8-2-3-9(24)10(25)4-8)19(28)17(13)22-21(30)20(29)18(27)15(7-23)33-22/h2-6,15,18,20-25,27-30H,7H2,1H3/t15-,18-,20+,21-,22+/m1/s1",COc1cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c(O)c1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C22H22O11,pos_2MH,462.1162115239999,DLVLXOYLQKCAME,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Pterocephalus papposus,450630.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Pterocephalus'],['Pterocephalus papposus'],6,2,7.0 111817,4498,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,DLVLXOYLQKCAME-DGHBBABESA-N,"InChI=1S/C22H22O11/c1-31-13-6-14-16(11(26)5-12(32-14)8-2-3-9(24)10(25)4-8)19(28)17(13)22-21(30)20(29)18(27)15(7-23)33-22/h2-6,15,18,20-25,27-30H,7H2,1H3/t15-,18-,20+,21-,22+/m1/s1",COc1cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c(O)c1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C22H22O11,pos_2MH,462.1162115239999,DLVLXOYLQKCAME,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Pterocephalus plumosus,5746454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Pterocephalus'],['Pterocephalus plumosus'],6,2,7.0 111818,4498,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,DLVLXOYLQKCAME-DGHBBABESA-N,"InChI=1S/C22H22O11/c1-31-13-6-14-16(11(26)5-12(32-14)8-2-3-9(24)10(25)4-8)19(28)17(13)22-21(30)20(29)18(27)15(7-23)33-22/h2-6,15,18,20-25,27-30H,7H2,1H3/t15-,18-,20+,21-,22+/m1/s1",COc1cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c(O)c1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C22H22O11,pos_2MH,462.1162115239999,DLVLXOYLQKCAME,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Knautia montana,5512969.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Knautia'],['Knautia montana'],6,2,7.0 111819,4498,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,DLVLXOYLQKCAME-DGHBBABESA-N,"InChI=1S/C22H22O11/c1-31-13-6-14-16(11(26)5-12(32-14)8-2-3-9(24)10(25)4-8)19(28)17(13)22-21(30)20(29)18(27)15(7-23)33-22/h2-6,15,18,20-25,27-30H,7H2,1H3/t15-,18-,20+,21-,22+/m1/s1",COc1cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c(O)c1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C22H22O11,pos_2MH,462.1162115239999,DLVLXOYLQKCAME,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Knautia tatarica,5512969.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Knautia'],['Knautia montana'],6,2,7.0 111820,4498,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,DLVLXOYLQKCAME-UHFFFAOYSA-N,"InChI=1S/C22H22O11/c1-31-13-6-14-16(11(26)5-12(32-14)8-2-3-9(24)10(25)4-8)19(28)17(13)22-21(30)20(29)18(27)15(7-23)33-22/h2-6,15,18,20-25,27-30H,7H2,1H3",COc1cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c(O)c1C1OC(CO)C(O)C(O)C1O,C22H22O11,pos_2MH,462.116211524,DLVLXOYLQKCAME,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cephalaria leucantha,518016.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Cephalaria'],['Cephalaria leucantha'],6,2,7.0 111821,4498,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,DLVLXOYLQKCAME-DGHBBABESA-N,"InChI=1S/C22H22O11/c1-31-13-6-14-16(11(26)5-12(32-14)8-2-3-9(24)10(25)4-8)19(28)17(13)22-21(30)20(29)18(27)15(7-23)33-22/h2-6,15,18,20-25,27-30H,7H2,1H3/t15-,18-,20+,21-,22+/m1/s1",COc1cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c(O)c1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C22H22O11,pos_2MH,462.1162115239999,DLVLXOYLQKCAME,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cephalaria uralensis,518016.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Cephalaria'],['Cephalaria leucantha'],6,2,7.0 111822,4498,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,DLVLXOYLQKCAME-DGHBBABESA-N,"InChI=1S/C22H22O11/c1-31-13-6-14-16(11(26)5-12(32-14)8-2-3-9(24)10(25)4-8)19(28)17(13)22-21(30)20(29)18(27)15(7-23)33-22/h2-6,15,18,20-25,27-30H,7H2,1H3/t15-,18-,20+,21-,22+/m1/s1",COc1cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c(O)c1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C22H22O11,pos_2MH,462.1162115239999,DLVLXOYLQKCAME,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Pterocephalus papposus,450630.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Pterocephalus'],['Pterocephalus papposus'],6,2,7.0 111823,4498,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,DLVLXOYLQKCAME-DGHBBABESA-N,"InChI=1S/C22H22O11/c1-31-13-6-14-16(11(26)5-12(32-14)8-2-3-9(24)10(25)4-8)19(28)17(13)22-21(30)20(29)18(27)15(7-23)33-22/h2-6,15,18,20-25,27-30H,7H2,1H3/t15-,18-,20+,21-,22+/m1/s1",COc1cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c(O)c1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C22H22O11,pos_2MH,462.1162115239999,DLVLXOYLQKCAME,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Pterocephalus plumosus,5746454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Pterocephalus'],['Pterocephalus plumosus'],6,2,7.0 111824,4498,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,DLVLXOYLQKCAME-DGHBBABESA-N,"InChI=1S/C22H22O11/c1-31-13-6-14-16(11(26)5-12(32-14)8-2-3-9(24)10(25)4-8)19(28)17(13)22-21(30)20(29)18(27)15(7-23)33-22/h2-6,15,18,20-25,27-30H,7H2,1H3/t15-,18-,20+,21-,22+/m1/s1",COc1cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c(O)c1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C22H22O11,pos_2MH,462.1162115239999,DLVLXOYLQKCAME,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Knautia montana,5512969.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Knautia'],['Knautia montana'],6,2,7.0 111825,4498,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,DLVLXOYLQKCAME-DGHBBABESA-N,"InChI=1S/C22H22O11/c1-31-13-6-14-16(11(26)5-12(32-14)8-2-3-9(24)10(25)4-8)19(28)17(13)22-21(30)20(29)18(27)15(7-23)33-22/h2-6,15,18,20-25,27-30H,7H2,1H3/t15-,18-,20+,21-,22+/m1/s1",COc1cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c(O)c1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C22H22O11,pos_2MH,462.1162115239999,DLVLXOYLQKCAME,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Knautia tatarica,5512969.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Knautia'],['Knautia montana'],6,2,7.0 111826,4498,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,YXHFXGHAELQJGK-NYIAETJKSA-N,"InChI=1S/C22H22O11/c1-31-14-4-8(2-3-9(14)24)13-6-12(27)16-10(25)5-11(26)17(21(16)32-13)22-20(30)19(29)18(28)15(7-23)33-22/h2-6,15,18-20,22-26,28-30H,7H2,1H3/t15?,18-,19+,20?,22-/m1/s1",COc1cc(-c2cc(=O)c3c(O)cc(O)c([C@H]4OC(CO)[C@@H](O)[C@H](O)C4O)c3o2)ccc1O,C22H22O11,pos_2MH,462.116211524,YXHFXGHAELQJGK,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Knautia montana,5512969.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Knautia'],['Knautia montana'],6,2,7.0 111827,4498,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,YXHFXGHAELQJGK-NYIAETJKSA-N,"InChI=1S/C22H22O11/c1-31-14-4-8(2-3-9(14)24)13-6-12(27)16-10(25)5-11(26)17(21(16)32-13)22-20(30)19(29)18(28)15(7-23)33-22/h2-6,15,18-20,22-26,28-30H,7H2,1H3/t15?,18-,19+,20?,22-/m1/s1",COc1cc(-c2cc(=O)c3c(O)cc(O)c([C@H]4OC(CO)[C@@H](O)[C@H](O)C4O)c3o2)ccc1O,C22H22O11,pos_2MH,462.116211524,YXHFXGHAELQJGK,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Knautia tatarica,5512969.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Knautia'],['Knautia montana'],6,2,7.0 111828,4498,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,YXHFXGHAELQJGK-NYIAETJKSA-N,"InChI=1S/C22H22O11/c1-31-14-4-8(2-3-9(14)24)13-6-12(27)16-10(25)5-11(26)17(21(16)32-13)22-20(30)19(29)18(28)15(7-23)33-22/h2-6,15,18-20,22-26,28-30H,7H2,1H3/t15?,18-,19+,20?,22-/m1/s1",COc1cc(-c2cc(=O)c3c(O)cc(O)c([C@H]4OC(CO)[C@@H](O)[C@H](O)C4O)c3o2)ccc1O,C22H22O11,pos_2MH,462.116211524,YXHFXGHAELQJGK,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Knautia montana,5512969.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Knautia'],['Knautia montana'],6,2,7.0 111829,4498,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,WKUHPOMCLBLCOV-MIUGBVLSSA-N,"InChI=1S/C22H22O11/c1-30-14-3-2-9(4-11(14)24)15-7-13(26)18-12(25)5-10(6-16(18)32-15)31-22-21(29)20(28)19(27)17(8-23)33-22/h2-7,17,19-25,27-29H,8H2,1H3/t17-,19-,20+,21-,22-/m1/s1",COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1O,C22H22O11,pos_2MH,462.1162115239998,WKUHPOMCLBLCOV,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Valeriana fedtschenkoi,139316.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana longiflora'],6,2,7.0 111830,4498,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,WKUHPOMCLBLCOV-MIUGBVLSSA-N,"InChI=1S/C22H22O11/c1-30-14-3-2-9(4-11(14)24)15-7-13(26)18-12(25)5-10(6-16(18)32-15)31-22-21(29)20(28)19(27)17(8-23)33-22/h2-7,17,19-25,27-29H,8H2,1H3/t17-,19-,20+,21-,22-/m1/s1",COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1O,C22H22O11,pos_2MH,462.1162115239998,WKUHPOMCLBLCOV,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Valeriana chionophila,6061606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana chionophila'],6,2,7.0 111791,4493,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,PUEUIRDVQIKCCG-UHFFFAOYSA-N,"InChI=1S/C16H22O10/c1-2-7-8(3-4-17)9(14(22)23)6-24-15(7)26-16-13(21)12(20)11(19)10(5-18)25-16/h2,4,6-8,10-13,15-16,18-21H,1,3,5H2,(H,22,23)",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)O)C1CC=O,C16H22O10,pos_2MHNH3,374.1212969039999,PUEUIRDVQIKCCG,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],8,2,9.0 111792,4493,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,PUEUIRDVQIKCCG-UHFFFAOYSA-N,"InChI=1S/C16H22O10/c1-2-7-8(3-4-17)9(14(22)23)6-24-15(7)26-16-13(21)12(20)11(19)10(5-18)25-16/h2,4,6-8,10-13,15-16,18-21H,1,3,5H2,(H,22,23)",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)O)C1CC=O,C16H22O10,pos_2MHNH3,374.1212969039999,PUEUIRDVQIKCCG,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],8,2,9.0 111777,4492,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,PUEUIRDVQIKCCG-UHFFFAOYSA-N,"InChI=1S/C16H22O10/c1-2-7-8(3-4-17)9(14(22)23)6-24-15(7)26-16-13(21)12(20)11(19)10(5-18)25-16/h2,4,6-8,10-13,15-16,18-21H,1,3,5H2,(H,22,23)",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)O)C1CC=O,C16H22O10,pos_2MH,374.1212969039999,PUEUIRDVQIKCCG,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],8,2,9.0 111778,4492,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,PUEUIRDVQIKCCG-UHFFFAOYSA-N,"InChI=1S/C16H22O10/c1-2-7-8(3-4-17)9(14(22)23)6-24-15(7)26-16-13(21)12(20)11(19)10(5-18)25-16/h2,4,6-8,10-13,15-16,18-21H,1,3,5H2,(H,22,23)",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)O)C1CC=O,C16H22O10,pos_2MH,374.1212969039999,PUEUIRDVQIKCCG,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],8,2,9.0 111766,4490,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,BGDMXWQJUGENQP-QPCLWJSESA-N,"InChI=1S/C21H34O11/c1-9(2)3-15(25)32-20-16-11(4-13(24)12(16)5-22)10(7-29-20)8-30-21-19(28)18(27)17(26)14(6-23)31-21/h7,9,11-14,16-24,26-28H,3-6,8H2,1-2H3/t11-,12+,13+,14-,16+,17-,18+,19-,20+,21-/m1/s1",CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2C[C@H](O)[C@H](CO)[C@@H]12,C21H34O11,pos_1_1proton,462.2101119079999,BGDMXWQJUGENQP,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 111767,4490,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,BGDMXWQJUGENQP-QPCLWJSESA-N,"InChI=1S/C21H34O11/c1-9(2)3-15(25)32-20-16-11(4-13(24)12(16)5-22)10(7-29-20)8-30-21-19(28)18(27)17(26)14(6-23)31-21/h7,9,11-14,16-24,26-28H,3-6,8H2,1-2H3/t11-,12+,13+,14-,16+,17-,18+,19-,20+,21-/m1/s1",CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2C[C@H](O)[C@H](CO)[C@@H]12,C21H34O11,pos_1_1proton,462.2101119079999,BGDMXWQJUGENQP,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana fauriei,228778.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana fauriei'],6,0,6.0 111768,4490,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,BGDMXWQJUGENQP-QPCLWJSESA-N,"InChI=1S/C21H34O11/c1-9(2)3-15(25)32-20-16-11(4-13(24)12(16)5-22)10(7-29-20)8-30-21-19(28)18(27)17(26)14(6-23)31-21/h7,9,11-14,16-24,26-28H,3-6,8H2,1-2H3/t11-,12+,13+,14-,16+,17-,18+,19-,20+,21-/m1/s1",CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2C[C@H](O)[C@H](CO)[C@@H]12,C21H34O11,pos_1_1proton,462.2101119079999,BGDMXWQJUGENQP,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia gibbosa,231859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia gibbosa'],6,0,6.0 111769,4490,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,BGDMXWQJUGENQP-UHFFFAOYSA-N,"InChI=1S/C21H34O11/c1-9(2)3-15(25)32-20-16-11(4-13(24)12(16)5-22)10(7-29-20)8-30-21-19(28)18(27)17(26)14(6-23)31-21/h7,9,11-14,16-24,26-28H,3-6,8H2,1-2H3",CC(C)CC(=O)OC1OC=C(COC2OC(CO)C(O)C(O)C2O)C2CC(O)C(CO)C12,C21H34O11,pos_1_1proton,462.2101119079999,BGDMXWQJUGENQP,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia scabiosifolia,231856.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia scabiosifolia'],6,0,6.0 111770,4490,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,BGDMXWQJUGENQP-QPCLWJSESA-N,"InChI=1S/C21H34O11/c1-9(2)3-15(25)32-20-16-11(4-13(24)12(16)5-22)10(7-29-20)8-30-21-19(28)18(27)17(26)14(6-23)31-21/h7,9,11-14,16-24,26-28H,3-6,8H2,1-2H3/t11-,12+,13+,14-,16+,17-,18+,19-,20+,21-/m1/s1",CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2C[C@H](O)[C@H](CO)[C@@H]12,C21H34O11,pos_1_1proton,462.2101119079999,BGDMXWQJUGENQP,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 111771,4490,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,BGDMXWQJUGENQP-QPCLWJSESA-N,"InChI=1S/C21H34O11/c1-9(2)3-15(25)32-20-16-11(4-13(24)12(16)5-22)10(7-29-20)8-30-21-19(28)18(27)17(26)14(6-23)31-21/h7,9,11-14,16-24,26-28H,3-6,8H2,1-2H3/t11-,12+,13+,14-,16+,17-,18+,19-,20+,21-/m1/s1",CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2C[C@H](O)[C@H](CO)[C@@H]12,C21H34O11,pos_1_1proton,462.2101119079999,BGDMXWQJUGENQP,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana fauriei,228778.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana fauriei'],6,0,6.0 111772,4490,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,BGDMXWQJUGENQP-QPCLWJSESA-N,"InChI=1S/C21H34O11/c1-9(2)3-15(25)32-20-16-11(4-13(24)12(16)5-22)10(7-29-20)8-30-21-19(28)18(27)17(26)14(6-23)31-21/h7,9,11-14,16-24,26-28H,3-6,8H2,1-2H3/t11-,12+,13+,14-,16+,17-,18+,19-,20+,21-/m1/s1",CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2C[C@H](O)[C@H](CO)[C@@H]12,C21H34O11,pos_1_1proton,462.2101119079999,BGDMXWQJUGENQP,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia gibbosa,231859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia gibbosa'],6,0,6.0 111773,4490,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,BGDMXWQJUGENQP-UHFFFAOYSA-N,"InChI=1S/C21H34O11/c1-9(2)3-15(25)32-20-16-11(4-13(24)12(16)5-22)10(7-29-20)8-30-21-19(28)18(27)17(26)14(6-23)31-21/h7,9,11-14,16-24,26-28H,3-6,8H2,1-2H3",CC(C)CC(=O)OC1OC=C(COC2OC(CO)C(O)C(O)C2O)C2CC(O)C(CO)C12,C21H34O11,pos_1_1proton,462.2101119079999,BGDMXWQJUGENQP,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia scabiosifolia,231856.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia scabiosifolia'],6,0,6.0 111774,4490,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RKKLMLPXHGWOKI-FXHXVMKNSA-N,"InChI=1S/C21H34O11/c1-10-5-31-21(11(2)3-4-12(10)21)9-30-18-16(25)15(24)14(23)13(32-18)6-28-19-17(26)20(27,7-22)8-29-19/h3,10,12-19,22-27H,4-9H2,1-2H3/t10-,12-,13-,14-,15+,16-,17+,18-,19-,20-,21-/m1/s1",CC1=CC[C@@H]2[C@H](C)CO[C@]12CO[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C21H34O11,pos_1_1proton,462.2101119079999,RKKLMLPXHGWOKI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia scabra,68239.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia scabra'],6,0,6.0 111775,4490,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,LANCLZFYVLANQS-RHMPUOGUSA-N,"InChI=1S/C21H34O11/c1-9(2)4-14(24)32-19-15-11(5-13(23)21(15,3)28)10(7-29-19)8-30-20-18(27)17(26)16(25)12(6-22)31-20/h7,9,11-13,15-20,22-23,25-28H,4-6,8H2,1-3H3/t11-,12-,13+,15-,16-,17+,18-,19+,20-,21-/m1/s1",CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2C[C@H](O)[C@@](C)(O)[C@@H]12,C21H34O11,pos_1_1proton,462.210111908,LANCLZFYVLANQS,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,0,6.0 111776,4490,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,LANCLZFYVLANQS-RHMPUOGUSA-N,"InChI=1S/C21H34O11/c1-9(2)4-14(24)32-19-15-11(5-13(23)21(15,3)28)10(7-29-19)8-30-20-18(27)17(26)16(25)12(6-22)31-20/h7,9,11-13,15-20,22-23,25-28H,4-6,8H2,1-3H3/t11-,12-,13+,15-,16-,17+,18-,19+,20-,21-/m1/s1",CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2C[C@H](O)[C@@](C)(O)[C@@H]12,C21H34O11,pos_1_1proton,462.210111908,LANCLZFYVLANQS,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia gibbosa,231859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia gibbosa'],6,0,6.0 111701,4487,173,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,AMBQHHVBBHTQBF-UOUCRYGSSA-N,"InChI=1S/C17H26O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6-,7+,9-,10+,11+,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](C)[C@@H](O)C[C@H]12,C17H26O10,pos_2MHNH3,390.1525970319999,AMBQHHVBBHTQBF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],8,3,9.5 111702,4487,173,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,AMBQHHVBBHTQBF-UOUCRYGSSA-N,"InChI=1S/C17H26O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6-,7+,9-,10+,11+,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](C)[C@@H](O)C[C@H]12,C17H26O10,pos_2MHNH3,390.1525970319999,AMBQHHVBBHTQBF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera periclymenum,811893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera periclymenum'],8,3,9.5 111703,4487,173,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,AMBQHHVBBHTQBF-UOUCRYGSSA-N,"InChI=1S/C17H26O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6-,7+,9-,10+,11+,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](C)[C@@H](O)C[C@H]12,C17H26O10,pos_2MHNH3,390.1525970319999,AMBQHHVBBHTQBF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera periclymenum,811893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera periclymenum'],8,3,9.5 111704,4487,173,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,AMBQHHVBBHTQBF-UOUCRYGSSA-N,"InChI=1S/C17H26O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6-,7+,9-,10+,11+,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](C)[C@@H](O)C[C@H]12,C17H26O10,pos_2MHNH3,390.1525970319999,AMBQHHVBBHTQBF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],8,3,9.5 111697,4486,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,GZSOSUNBTXMUFQ-UHFFFAOYSA-N,"InChI=1S/C28H32O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-8,10,19,21-30,32-37H,9H2,1-2H3",COc1ccc(-c2cc(=O)c3c(O)cc(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O)cc3o2)cc1O,C28H32O15,pos_1_1proton,608.174120324,GZSOSUNBTXMUFQ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Valeriana rossica,6061718.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana rossica'],6,2,7.0 111698,4486,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,GZSOSUNBTXMUFQ-CYZBKYQRSA-N,"InChI=1S/C28H32O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-8,10,19,21-30,32-37H,9H2,1-2H3/t10-,19+,21-,22+,23+,24-,25+,26+,27-,28+/m0/s1",COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1O,C28H32O15,pos_1_1proton,608.1741203239999,GZSOSUNBTXMUFQ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Lomelosia caucasica,994163.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lomelosia'],['Lomelosia caucasica'],6,2,7.0 111699,4486,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,GZSOSUNBTXMUFQ-UHFFFAOYSA-N,"InChI=1S/C28H32O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-8,10,19,21-30,32-37H,9H2,1-2H3",COc1ccc(-c2cc(=O)c3c(O)cc(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O)cc3o2)cc1O,C28H32O15,pos_1_1proton,608.174120324,GZSOSUNBTXMUFQ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Valeriana rossica,6061718.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana rossica'],6,2,7.0 111700,4486,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,GZSOSUNBTXMUFQ-CYZBKYQRSA-N,"InChI=1S/C28H32O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-8,10,19,21-30,32-37H,9H2,1-2H3/t10-,19+,21-,22+,23+,24-,25+,26+,27-,28+/m0/s1",COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1O,C28H32O15,pos_1_1proton,608.1741203239999,GZSOSUNBTXMUFQ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Lomelosia caucasica,994163.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lomelosia'],['Lomelosia caucasica'],6,2,7.0 111676,4485,343,Polyketides,Cyclic polyketides,Phthalide derivatives,0.6357538,ISDB,SATCULPHIDQDRE-UHFFFAOYSA-N,"InChI=1S/C8H6O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-4H,5H2",O=Cc1ccc2c(c1)OCO2,C8H6O3,,150.031694052,SATCULPHIDQDRE,Shikimates and Phenylpropanoids,,,Heliotropium lasiocarpum,805469.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Heliotropiaceae'],['Unknown'],['Heliotropium'],['Heliotropium lasiocarpum'],4,0,6.543015241622925 111677,4485,343,Polyketides,Cyclic polyketides,Phthalide derivatives,0.6357538,ISDB,SATCULPHIDQDRE-UHFFFAOYSA-N,"InChI=1S/C8H6O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-4H,5H2",O=Cc1ccc2c(c1)OCO2,C8H6O3,,150.031694052,SATCULPHIDQDRE,Shikimates and Phenylpropanoids,,,Rostrinucula dependens,284543.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Pogostemoneae'],['Rostrinucula'],['Rostrinucula dependens'],4,0,6.543015241622925 111678,4485,343,Polyketides,Cyclic polyketides,Phthalide derivatives,0.6357538,ISDB,SATCULPHIDQDRE-UHFFFAOYSA-N,"InChI=1S/C8H6O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-4H,5H2",O=Cc1ccc2c(c1)OCO2,C8H6O3,,150.031694052,SATCULPHIDQDRE,Shikimates and Phenylpropanoids,,,Cinnamomum parthenoxylon,129758.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum parthenoxylon'],4,0,6.543015241622925 111679,4485,343,Polyketides,Cyclic polyketides,Phthalide derivatives,0.6357538,ISDB,SATCULPHIDQDRE-UHFFFAOYSA-N,"InChI=1S/C8H6O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-4H,5H2",O=Cc1ccc2c(c1)OCO2,C8H6O3,,150.031694052,SATCULPHIDQDRE,Shikimates and Phenylpropanoids,,,Piper chaba,505281.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper retrofractum'],4,0,6.543015241622925 111680,4485,343,Polyketides,Cyclic polyketides,Phthalide derivatives,0.6357538,ISDB,SATCULPHIDQDRE-UHFFFAOYSA-N,"InChI=1S/C8H6O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-4H,5H2",O=Cc1ccc2c(c1)OCO2,C8H6O3,,150.031694052,SATCULPHIDQDRE,Shikimates and Phenylpropanoids,,,Piper retrofractum,505281.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper retrofractum'],4,0,6.543015241622925 111681,4485,343,Polyketides,Cyclic polyketides,Phthalide derivatives,0.6357538,ISDB,SATCULPHIDQDRE-UHFFFAOYSA-N,"InChI=1S/C8H6O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-4H,5H2",O=Cc1ccc2c(c1)OCO2,C8H6O3,,150.031694052,SATCULPHIDQDRE,Shikimates and Phenylpropanoids,,,Piper philippinum,290828.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper nudibaccatum'],4,0,6.543015241622925 111682,4485,343,Polyketides,Cyclic polyketides,Phthalide derivatives,0.6357538,ISDB,SATCULPHIDQDRE-UHFFFAOYSA-N,"InChI=1S/C8H6O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-4H,5H2",O=Cc1ccc2c(c1)OCO2,C8H6O3,,150.031694052,SATCULPHIDQDRE,Shikimates and Phenylpropanoids,,,Piper kwashoense,6030948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper kwashoense'],4,0,6.543015241622925 111683,4485,343,Polyketides,Cyclic polyketides,Phthalide derivatives,0.6357538,ISDB,SATCULPHIDQDRE-UHFFFAOYSA-N,"InChI=1S/C8H6O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-4H,5H2",O=Cc1ccc2c(c1)OCO2,C8H6O3,,150.031694052,SATCULPHIDQDRE,Shikimates and Phenylpropanoids,,,Achillea grandifolia,245232.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Achillea'],['Achillea grandifolia'],4,0,6.543015241622925 111684,4485,343,Polyketides,Cyclic polyketides,Phthalide derivatives,0.6357538,ISDB,SATCULPHIDQDRE-UHFFFAOYSA-N,"InChI=1S/C8H6O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-4H,5H2",O=Cc1ccc2c(c1)OCO2,C8H6O3,,150.031694052,SATCULPHIDQDRE,Shikimates and Phenylpropanoids,,,Mangifera indica,807634.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Anacardiaceae'],['Unknown'],['Mangifera'],['Mangifera indica'],4,0,6.543015241622925 111685,4485,343,Polyketides,Cyclic polyketides,Phthalide derivatives,0.6357538,ISDB,SATCULPHIDQDRE-UHFFFAOYSA-N,"InChI=1S/C8H6O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-4H,5H2",O=Cc1ccc2c(c1)OCO2,C8H6O3,,150.031694052,SATCULPHIDQDRE,Shikimates and Phenylpropanoids,,,Piper nigrum,472526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper nigrum'],4,0,6.543015241622925 111636,4484,-1,,,,0.0,MS1_match,KEOITPILCOILGM-FCWYPSSHSA-N,"InChI=1S/C41H66O12/c1-21-28(44)30(46)31(47)33(51-21)53-32-29(45)24(43)19-50-34(32)52-27-11-12-37(4)25(38(27,5)20-42)10-13-40(7)26(37)9-8-22-23-18-36(2,3)14-16-41(23,35(48)49)17-15-39(22,40)6/h8,21,23-34,42-47H,9-20H2,1-7H3,(H,48,49)/t21-,23-,24+,25+,26+,27-,28-,29+,30-,31+,32-,33-,34+,37-,38-,39+,40+,41-/m0/s1",C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)CC[C@]6(C(=O)O)CC[C@]45C)[C@]3(C)CO)OC[C@@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O,C41H66O12,pos_1_1proton1ammonium,750.455427552,KEOITPILCOILGM,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis tibetana,972666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tibetana'],8,0,8.0 111637,4484,-1,,,,0.0,MS1_match,KEOITPILCOILGM-LLJOFIFVSA-N,"InChI=1S/C41H66O12/c1-21-28(44)30(46)31(47)33(51-21)53-32-29(45)24(43)19-50-34(32)52-27-11-12-37(4)25(38(27,5)20-42)10-13-40(7)26(37)9-8-22-23-18-36(2,3)14-16-41(23,35(48)49)17-15-39(22,40)6/h8,21,23-34,42-47H,9-20H2,1-7H3,(H,48,49)/t21-,23-,24-,25+,26+,27-,28-,29-,30+,31+,32+,33-,34-,37-,38-,39+,40+,41-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)CC[C@]6(C(=O)O)CC[C@]45C)[C@]3(C)CO)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C41H66O12,pos_1_1proton1ammonium,750.4554275520003,KEOITPILCOILGM,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis orientalis,594147.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis orientalis'],8,0,8.0 111638,4484,-1,,,,0.0,MS1_match,KEOITPILCOILGM-FCWYPSSHSA-N,"InChI=1S/C41H66O12/c1-21-28(44)30(46)31(47)33(51-21)53-32-29(45)24(43)19-50-34(32)52-27-11-12-37(4)25(38(27,5)20-42)10-13-40(7)26(37)9-8-22-23-18-36(2,3)14-16-41(23,35(48)49)17-15-39(22,40)6/h8,21,23-34,42-47H,9-20H2,1-7H3,(H,48,49)/t21-,23-,24+,25+,26+,27-,28-,29+,30-,31+,32-,33-,34+,37-,38-,39+,40+,41-/m0/s1",C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)CC[C@]6(C(=O)O)CC[C@]45C)[C@]3(C)CO)OC[C@@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O,C41H66O12,pos_1_1proton1ammonium,750.455427552,KEOITPILCOILGM,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis tibetana,972666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tibetana'],8,0,8.0 111639,4484,-1,,,,0.0,MS1_match,KEOITPILCOILGM-ATMJNGMXSA-N,"InChI=1S/C41H66O12/c1-21-28(44)30(46)31(47)33(51-21)53-32-29(45)24(43)19-50-34(32)52-27-11-12-37(4)25(38(27,5)20-42)10-13-40(7)26(37)9-8-22-23-18-36(2,3)14-16-41(23,35(48)49)17-15-39(22,40)6/h8,21,23-34,42-47H,9-20H2,1-7H3,(H,48,49)/t21-,23+,24-,25+,26+,27-,28-,29-,30+,31+,32+,33-,34-,37-,38-,39+,40+,41-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C4[C@H]6CC(C)(C)CC[C@]6(C(=O)O)CC[C@]45C)[C@]3(C)CO)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C41H66O12,pos_1_1proton1ammonium,750.455427552,KEOITPILCOILGM,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis chinensis,841986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis chinensis'],8,0,8.0 111640,4484,-1,,,,0.0,MS1_match,KEOITPILCOILGM-ATMJNGMXSA-N,"InChI=1S/C41H66O12/c1-21-28(44)30(46)31(47)33(51-21)53-32-29(45)24(43)19-50-34(32)52-27-11-12-37(4)25(38(27,5)20-42)10-13-40(7)26(37)9-8-22-23-18-36(2,3)14-16-41(23,35(48)49)17-15-39(22,40)6/h8,21,23-34,42-47H,9-20H2,1-7H3,(H,48,49)/t21-,23+,24-,25+,26+,27-,28-,29-,30+,31+,32+,33-,34-,37-,38-,39+,40+,41-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C4[C@H]6CC(C)(C)CC[C@]6(C(=O)O)CC[C@]45C)[C@]3(C)CO)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C41H66O12,pos_1_1proton1ammonium,750.455427552,KEOITPILCOILGM,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis chinensis,841986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis chinensis'],8,0,8.0 111641,4484,-1,,,,0.0,MS1_match,KEOITPILCOILGM-LLJOFIFVSA-N,"InChI=1S/C41H66O12/c1-21-28(44)30(46)31(47)33(51-21)53-32-29(45)24(43)19-50-34(32)52-27-11-12-37(4)25(38(27,5)20-42)10-13-40(7)26(37)9-8-22-23-18-36(2,3)14-16-41(23,35(48)49)17-15-39(22,40)6/h8,21,23-34,42-47H,9-20H2,1-7H3,(H,48,49)/t21-,23-,24-,25+,26+,27-,28-,29-,30+,31+,32+,33-,34-,37-,38-,39+,40+,41-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)CC[C@]6(C(=O)O)CC[C@]45C)[C@]3(C)CO)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C41H66O12,pos_1_1proton1ammonium,750.4554275520003,KEOITPILCOILGM,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis orientalis,594147.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis orientalis'],8,0,8.0 111642,4484,-1,,,,0.0,MS1_match,KEOITPILCOILGM-LLJOFIFVSA-N,"InChI=1S/C41H66O12/c1-21-28(44)30(46)31(47)33(51-21)53-32-29(45)24(43)19-50-34(32)52-27-11-12-37(4)25(38(27,5)20-42)10-13-40(7)26(37)9-8-22-23-18-36(2,3)14-16-41(23,35(48)49)17-15-39(22,40)6/h8,21,23-34,42-47H,9-20H2,1-7H3,(H,48,49)/t21-,23-,24-,25+,26+,27-,28-,29-,30+,31+,32+,33-,34-,37-,38-,39+,40+,41-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)CC[C@]6(C(=O)O)CC[C@]45C)[C@]3(C)CO)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C41H66O12,pos_1_1proton1ammonium,750.4554275520003,KEOITPILCOILGM,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis tangutica,21285.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tangutica'],8,0,8.0 111643,4484,-1,,,,0.0,MS1_match,KEOITPILCOILGM-LLJOFIFVSA-N,"InChI=1S/C41H66O12/c1-21-28(44)30(46)31(47)33(51-21)53-32-29(45)24(43)19-50-34(32)52-27-11-12-37(4)25(38(27,5)20-42)10-13-40(7)26(37)9-8-22-23-18-36(2,3)14-16-41(23,35(48)49)17-15-39(22,40)6/h8,21,23-34,42-47H,9-20H2,1-7H3,(H,48,49)/t21-,23-,24-,25+,26+,27-,28-,29-,30+,31+,32+,33-,34-,37-,38-,39+,40+,41-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)CC[C@]6(C(=O)O)CC[C@]45C)[C@]3(C)CO)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C41H66O12,pos_1_1proton1ammonium,750.4554275520003,KEOITPILCOILGM,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis tangutica,21285.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tangutica'],8,0,8.0 111644,4484,-1,,,,0.0,MS1_match,GXWUEMSASMVWKO-LFGJQLCQSA-N,"InChI=1S/C41H66O12/c1-36(2)14-16-41(35(48)49)17-15-39(6)21(22(41)18-36)8-9-26-38(5)12-11-27(37(3,4)25(38)10-13-40(26,39)7)52-34-32(28(44)23(43)20-50-34)53-33-31(47)30(46)29(45)24(19-42)51-33/h8,22-34,42-47H,9-20H2,1-7H3,(H,48,49)/t22-,23-,24+,25-,26+,27-,28-,29+,30-,31+,32+,33-,34-,38-,39+,40+,41-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C41H66O12,pos_1_1proton1ammonium,750.4554275520002,GXWUEMSASMVWKO,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis tangutica,21285.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tangutica'],8,0,8.0 111645,4484,-1,,,,0.0,MS1_match,JIAZWFZSNYBPNC-UHFFFAOYSA-N,"InChI=1S/C41H66O12/c1-21-28(44)30(46)32(48)34(51-21)53-35(49)41-16-14-36(2,3)18-23(41)22-8-9-26-37(4)12-11-27(52-33-31(47)29(45)24(43)19-50-33)38(5,20-42)25(37)10-13-40(26,7)39(22,6)15-17-41/h8,21,23-34,42-48H,9-20H2,1-7H3",CC1OC(OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CCC(OC6OCC(O)C(O)C6O)C(C)(CO)C5CCC4(C)C2(C)CC3)C(O)C(O)C1O,C41H66O12,pos_1_1proton1ammonium,750.455427552,JIAZWFZSNYBPNC,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis tangutica,21285.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tangutica'],8,0,8.0 111646,4484,-1,,,,0.0,MS1_match,GXWUEMSASMVWKO-LFGJQLCQSA-N,"InChI=1S/C41H66O12/c1-36(2)14-16-41(35(48)49)17-15-39(6)21(22(41)18-36)8-9-26-38(5)12-11-27(37(3,4)25(38)10-13-40(26,39)7)52-34-32(28(44)23(43)20-50-34)53-33-31(47)30(46)29(45)24(19-42)51-33/h8,22-34,42-47H,9-20H2,1-7H3,(H,48,49)/t22-,23-,24+,25-,26+,27-,28-,29+,30-,31+,32+,33-,34-,38-,39+,40+,41-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C41H66O12,pos_1_1proton1ammonium,750.4554275520002,GXWUEMSASMVWKO,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis tangutica,21285.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tangutica'],8,0,8.0 111647,4484,-1,,,,0.0,MS1_match,GXWUEMSASMVWKO-LFGJQLCQSA-N,"InChI=1S/C41H66O12/c1-36(2)14-16-41(35(48)49)17-15-39(6)21(22(41)18-36)8-9-26-38(5)12-11-27(37(3,4)25(38)10-13-40(26,39)7)52-34-32(28(44)23(43)20-50-34)53-33-31(47)30(46)29(45)24(19-42)51-33/h8,22-34,42-47H,9-20H2,1-7H3,(H,48,49)/t22-,23-,24+,25-,26+,27-,28-,29+,30-,31+,32+,33-,34-,38-,39+,40+,41-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C41H66O12,pos_1_1proton1ammonium,750.4554275520002,GXWUEMSASMVWKO,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis tangutica,21285.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tangutica'],8,0,8.0 111616,4482,582,Terpenoids,Diterpenoids,Estrane steroids,0.2009615,ISDB,JMBKXUYCBVKSSY-DOTOQJQBSA-N,"InChI=1S/C17H22O3/c1-16(2)5-4-6-17(3)11-8-14(20)13(19)7-10(11)12(18)9-15(16)17/h7-8,15,19-20H,4-6,9H2,1-3H3/t15-,17+/m0/s1",CC1(C)CCC[C@]2(C)c3cc(O)c(O)cc3C(=O)C[C@@H]12,C17H22O3,,274.156894564,JMBKXUYCBVKSSY,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Celastrus orbiculatus,56757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Celastrus'],['Celastrus orbiculatus'],4,2,5.803846001625061 111617,4482,582,Terpenoids,Diterpenoids,Estrane steroids,0.2009615,ISDB,JMBKXUYCBVKSSY-DOTOQJQBSA-N,"InChI=1S/C17H22O3/c1-16(2)5-4-6-17(3)11-8-14(20)13(19)7-10(11)12(18)9-15(16)17/h7-8,15,19-20H,4-6,9H2,1-3H3/t15-,17+/m0/s1",CC1(C)CCC[C@]2(C)c3cc(O)c(O)cc3C(=O)C[C@@H]12,C17H22O3,,274.156894564,JMBKXUYCBVKSSY,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Celastrus stephanotifolius,6092505.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Celastrus'],['Celastrus stephanotifolius'],4,2,5.803846001625061 111618,4482,582,Terpenoids,Diterpenoids,Estrane steroids,0.2009615,ISDB,JMBKXUYCBVKSSY-DOTOQJQBSA-N,"InChI=1S/C17H22O3/c1-16(2)5-4-6-17(3)11-8-14(20)13(19)7-10(11)12(18)9-15(16)17/h7-8,15,19-20H,4-6,9H2,1-3H3/t15-,17+/m0/s1",CC1(C)CCC[C@]2(C)c3cc(O)c(O)cc3C(=O)C[C@@H]12,C17H22O3,,274.156894564,JMBKXUYCBVKSSY,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Azadirachta indica,481682.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Azadirachta'],['Azadirachta indica'],4,2,5.803846001625061 111606,4481,-1,,,,0.0,MS1_match,PGYAYSRVSAJXTE-CLONMANBSA-N,"InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-22-35-36(5,6)25-33(41)27-38(35,9)43)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)26-34(42)28-39(40,10)44-40/h11-21,23-24,33-34,41-43H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20+/t22?,33-,34-,38+,39+,40-/m0/s1",C/C(C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C,C40H56O4,pos_1_sodium,600.417860272,PGYAYSRVSAJXTE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Trollius europaeus,805006.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Adonideae'],['Trollius'],['Trollius europaeus'],6,0,6.0 111607,4481,-1,,,,0.0,MS1_match,ZVKXPPXCNUMUOR-WYZRDEAWSA-N,"InChI=1S/C40H56O4/c1-28(17-13-18-30(3)21-22-35-37(5,6)24-32(41)26-39(35,9)43)15-11-12-16-29(2)19-14-20-31(4)34-23-36-38(7,8)25-33(42)27-40(36,10)44-34/h11-21,23,32-34,41-43H,24-27H2,1-10H3/b12-11+,17-13+,19-14+,28-15+,29-16+,30-18+,31-20-/t22?,32-,33-,34?,39+,40+/m0/s1",C/C(=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O)C1C=C2C(C)(C)C[C@H](O)C[C@@]2(C)O1,C40H56O4,pos_1_sodium,600.417860272,ZVKXPPXCNUMUOR,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Ranunculus acris,387818.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus acris'],6,0,6.0 111608,4481,-1,,,,0.0,MS1_match,IPEHJNRNYPOFII-UHFFFAOYSA-N,"InChI=1S/C20H28O2/c1-12(2)13-9-14-15(10-16(13)21)20(5)8-6-7-19(3,4)18(20)11-17(14)22/h9-10,12,18,21H,6-8,11H2,1-5H3",CC(C)c1cc2c(cc1O)C1(C)CCCC(C)(C)C1CC2=O,C20H28O2,pos_2MNa,300.208930136,IPEHJNRNYPOFII,Terpenoids,Diterpenoids,Abietane diterpenoids,Delphinium cyphoplectrum,309504.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium cyphoplectrum'],6,0,6.0 111591,4480,-1,,,,0.0,MS1_match,GJOKUHOJKKOIEW-UHFFFAOYSA-N,"InChI=1S/C12H14O6/c1-7(4-13)12(17)3-11(18-8(2)16)9(5-14)10(12)6-15/h4,6,11,14,17H,1,3,5H2,2H3",C=C(C=O)C1(O)CC(OC(C)=O)C(CO)=C1C=O,C12H14O6,pos_1_1proton,254.079038168,GJOKUHOJKKOIEW,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,0,6.0 111533,4479,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,NFIQKUQYFSTGFU-VWZQPUASSA-N,"InChI=1S/C47H76O17/c1-42(2)14-16-47(41(58)64-40-37(57)34(54)32(52)26(62-40)21-60-38-36(56)33(53)31(51)25(19-48)61-38)17-15-45(6)22(23(47)18-42)8-9-28-44(5)12-11-29(43(3,4)27(44)10-13-46(28,45)7)63-39-35(55)30(50)24(49)20-59-39/h8,23-40,48-57H,9-21H2,1-7H3/t23-,24-,25+,26+,27-,28+,29-,30-,31+,32+,33-,34-,35+,36+,37+,38+,39-,40-,44-,45+,46+,47-/m0/s1",CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C47H76O17,pos_1_1proton,912.5082509720002,NFIQKUQYFSTGFU,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 111534,4479,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,NXJMINIPVKJRHD-CXGIBTINSA-N,"InChI=1S/C47H76O17/c1-22-30(51)33(54)35(56)38(60-22)63-37-31(52)25(50)20-59-40(37)62-29-11-12-43(4)27(44(29,5)21-49)10-13-46(7)28(43)9-8-23-24-18-42(2,3)14-16-47(24,17-15-45(23,46)6)41(58)64-39-36(57)34(55)32(53)26(19-48)61-39/h8,22,24-40,48-57H,9-21H2,1-7H3/t22-,24-,25-,26+,27+,28+,29-,30-,31-,32+,33+,34-,35+,36+,37+,38-,39-,40-,43-,44-,45+,46+,47-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)CC[C@]6(C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]45C)[C@]3(C)CO)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C47H76O17,pos_1_1proton,912.5082509720004,NXJMINIPVKJRHD,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 111535,4479,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,NXJMINIPVKJRHD-CXGIBTINSA-N,"InChI=1S/C47H76O17/c1-22-30(51)33(54)35(56)38(60-22)63-37-31(52)25(50)20-59-40(37)62-29-11-12-43(4)27(44(29,5)21-49)10-13-46(7)28(43)9-8-23-24-18-42(2,3)14-16-47(24,17-15-45(23,46)6)41(58)64-39-36(57)34(55)32(53)26(19-48)61-39/h8,22,24-40,48-57H,9-21H2,1-7H3/t22-,24-,25-,26+,27+,28+,29-,30-,31-,32+,33+,34-,35+,36+,37+,38-,39-,40-,43-,44-,45+,46+,47-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)CC[C@]6(C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]45C)[C@]3(C)CO)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C47H76O17,pos_1_1proton,912.5082509720004,NXJMINIPVKJRHD,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 111498,4478,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.30985123,ISDB,YEQBGJNMHDZXRG-NMTUBSNHSA-N,"InChI=1S/C27H40O2/c1-17-10-14-27(28-16-17)18(2)24-23(29-27)15-22-20-9-8-19-7-5-6-12-25(19,3)21(20)11-13-26(22,24)4/h5,7-8,17-18,20-24H,6,9-16H2,1-4H3/t17-,18+,20-,21-,22-,23+,24+,25-,26+,27-/m0/s1",C[C@H]1CC[C@]2(OC1)O[C@@H]1C[C@H]3[C@H]4CC=C5C=CCC[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]1[C@H]2C,C27H40O2,,396.30283051999993,YEQBGJNMHDZXRG,Terpenoids,Steroids,Spirostane steroids,Trigonella foenum-graecum,1007994.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Trigonella'],['Trigonella foenum-graecum'],4,1,5.739404916763306 111497,4473,173,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,JUJTUEBXXGRSJB-MTAKFWDWSA-N,"InChI=1S/C17H26O9/c1-3-9-10-4-12(22-2)23-6-8(10)7-24-16(9)26-17-15(21)14(20)13(19)11(5-18)25-17/h3,7,9-21H,1,4-6H2,2H3/t9-,10-,11-,12-,13-,14+,15-,16+,17+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2CO[C@@H](OC)C[C@H]21,C17H26O9,pos_1_1proton1ammonium,374.1576824119999,JUJTUEBXXGRSJB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,2,8.0 111493,4472,-1,,,,0.0,MS1_match,SRSSHSQCHFGYCO-ACHIHNKUSA-N,"InChI=1S/C38H44N2O6/c1-39-16-14-27-21-36(44-5)37(45-6)23-30(27)31(39)17-24-7-10-28(11-8-24)46-38-19-25(9-12-34(38)42-3)18-32-29-22-33(41)35(43-4)20-26(29)13-15-40(32)2/h7-12,19-23,31-32,41H,13-18H2,1-6H3/t31-,32-/m0/s1",COc1cc2c(cc1O)[C@H](Cc1ccc(OC)c(Oc3ccc(C[C@H]4c5cc(OC)c(OC)cc5CCN4C)cc3)c1)N(C)CC2,C38H44N2O6,pos_1_1proton2acetonitrile,624.319937128,SRSSHSQCHFGYCO,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Thalictrum revolutum,421843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum revolutum'],6,0,6.0 111494,4472,-1,,,,0.0,MS1_match,SRSSHSQCHFGYCO-ACHIHNKUSA-N,"InChI=1S/C38H44N2O6/c1-39-16-14-27-21-36(44-5)37(45-6)23-30(27)31(39)17-24-7-10-28(11-8-24)46-38-19-25(9-12-34(38)42-3)18-32-29-22-33(41)35(43-4)20-26(29)13-15-40(32)2/h7-12,19-23,31-32,41H,13-18H2,1-6H3/t31-,32-/m0/s1",COc1cc2c(cc1O)[C@H](Cc1ccc(OC)c(Oc3ccc(C[C@H]4c5cc(OC)c(OC)cc5CCN4C)cc3)c1)N(C)CC2,C38H44N2O6,pos_1_1proton2acetonitrile,624.319937128,SRSSHSQCHFGYCO,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Thalictrum dasycarpum,421841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum dasycarpum'],6,0,6.0 111495,4472,-1,,,,0.0,MS1_match,SRSSHSQCHFGYCO-ACHIHNKUSA-N,"InChI=1S/C38H44N2O6/c1-39-16-14-27-21-36(44-5)37(45-6)23-30(27)31(39)17-24-7-10-28(11-8-24)46-38-19-25(9-12-34(38)42-3)18-32-29-22-33(41)35(43-4)20-26(29)13-15-40(32)2/h7-12,19-23,31-32,41H,13-18H2,1-6H3/t31-,32-/m0/s1",COc1cc2c(cc1O)[C@H](Cc1ccc(OC)c(Oc3ccc(C[C@H]4c5cc(OC)c(OC)cc5CCN4C)cc3)c1)N(C)CC2,C38H44N2O6,pos_1_1proton2acetonitrile,624.319937128,SRSSHSQCHFGYCO,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Thalictrum lucidum,977702.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum lucidum'],6,0,6.0 111496,4472,-1,,,,0.0,MS1_match,SRSSHSQCHFGYCO-ACHIHNKUSA-N,"InChI=1S/C38H44N2O6/c1-39-16-14-27-21-36(44-5)37(45-6)23-30(27)31(39)17-24-7-10-28(11-8-24)46-38-19-25(9-12-34(38)42-3)18-32-29-22-33(41)35(43-4)20-26(29)13-15-40(32)2/h7-12,19-23,31-32,41H,13-18H2,1-6H3/t31-,32-/m0/s1",COc1cc2c(cc1O)[C@H](Cc1ccc(OC)c(Oc3ccc(C[C@H]4c5cc(OC)c(OC)cc5CCN4C)cc3)c1)N(C)CC2,C38H44N2O6,pos_1_1proton2acetonitrile,624.319937128,SRSSHSQCHFGYCO,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Thalictrum rugosum,421841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum dasycarpum'],6,0,6.0 111487,4471,242,Fatty acids,Sesquiterpenoids,Furans,0.529402,ISDB,CTLVRIOTFRWXKP-BGTYHANMSA-N,"InChI=1S/C18H28O/c1-13-7-6-8-16-17(13,4)11-9-14(2)18(16,5)12-10-15(3)19/h6-7,14,16H,1,8-12H2,2-5H3/t14-,16-,17+,18+/m1/s1",C=C1C=CC[C@H]2[C@@](C)(CCC(C)=O)[C@H](C)CC[C@@]12C,C18H28O,,260.214015516,CTLVRIOTFRWXKP,Terpenoids,Sesquiterpenoids,,Parentucellia latifolia,981066.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Orobanchaceae'],['Rhinantheae'],['Parentucellia'],['Parentucellia latifolia'],4,2,7.117608070373535 111468,4466,200,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.70533985,ISDB,YAMUFBLWGFFICM-PTGWMXDISA-N,"InChI=1S/C26H52NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h12-13,25,28H,5-11,14-24H2,1-4H3/b13-12-/t25-/m1/s1",CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C,C26H52NO7P,,521.348139634,YAMUFBLWGFFICM,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Trypanosoma brucei,494245.0,['Eukaryota'],['Unknown'],['Unknown'],['Unknown'],['Kinetoplastea'],['Unknown'],['Unknown'],['Trypanosoma'],['Trypanosoma brucei'],1,3,5.321359395980835 111466,4464,-1,,,,0.2725679,ISDB,IOUQUFVYKJOHBO-SYUMXFIHSA-N,"InChI=1S/C25H37NO3S/c1-16-8-6-9-21-24(16,3)11-10-17(2)25(21,4)15-18-22(28)19(14-20(27)23(18)29)26-12-7-13-30-5/h8,14,17,21,26,29H,6-7,9-13,15H2,1-5H3/t17-,21+,24-,25+/m0/s1",CSCCCNC1=CC(=O)C(O)=C(C[C@]2(C)[C@@H](C)CC[C@@]3(C)C(C)=CCC[C@@H]23)C1=O,C25H37NO3S,,431.2494150440001,IOUQUFVYKJOHBO,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Dactylospongia metachromia,533033.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Dictyoceratida'],['Thorectidae'],['Unknown'],['Dactylospongia'],['Dactylospongia metachromia'],1,0,2.0902715921401978 111425,4461,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.713977,ISDB,IHQUEBHATOOKPN-UHFFFAOYSA-N,"InChI=1S/C14H22/c1-9-7-8-10-5-4-6-11-13(12(9)10)14(11,2)3/h4-5,9-13H,6-8H2,1-3H3",CC1CCC2C=CCC3C(C12)C3(C)C,C14H22,,190.172150704,IHQUEBHATOOKPN,Terpenoids,Sesquiterpenoids,Aromadendrane sesquiterpenoids,Cyperus rotundus,338773.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Cyperaceae'],['Cypereae'],['Cyperus'],['Cyperus rotundus'],4,2,7.855907917022705 111426,4461,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.713977,ISDB,IHQUEBHATOOKPN-UHFFFAOYSA-N,"InChI=1S/C14H22/c1-9-7-8-10-5-4-6-11-13(12(9)10)14(11,2)3/h4-5,9-13H,6-8H2,1-3H3",CC1CCC2C=CCC3C(C12)C3(C)C,C14H22,,190.172150704,IHQUEBHATOOKPN,Terpenoids,Sesquiterpenoids,Aromadendrane sesquiterpenoids,Clausena excavata,571298.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Clausena'],['Clausena excavata'],4,2,7.855907917022705 111427,4461,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.713977,ISDB,IHQUEBHATOOKPN-UHFFFAOYSA-N,"InChI=1S/C14H22/c1-9-7-8-10-5-4-6-11-13(12(9)10)14(11,2)3/h4-5,9-13H,6-8H2,1-3H3",CC1CCC2C=CCC3C(C12)C3(C)C,C14H22,,190.172150704,IHQUEBHATOOKPN,Terpenoids,Sesquiterpenoids,Aromadendrane sesquiterpenoids,Ursinia speciosa,773007.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Ursinia'],['Ursinia speciosa'],4,2,7.855907917022705 111325,4460,1659,Fatty acids,Octadecanoids,Other Octadecanoids,0.7659935,ISDB,ACHDMUPTZYZIGR-CUHSZNQNSA-N,"InChI=1S/C18H28O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h3-4,6,8,11,14H,2,5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b4-3-,8-6-,14-11+",CC/C=C\C/C=C\C=C\C(=O)CCCCCCCC(=O)O,C18H28O3,,292.203844756,ACHDMUPTZYZIGR,Fatty acids,Octadecanoids,Other Octadecanoids,Isatis tinctoria,631500.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Isatideae'],['Isatis'],['Isatis tinctoria'],4,3,8.563973903656006 111326,4460,1659,Fatty acids,Octadecanoids,Other Octadecanoids,0.7659935,ISDB,ACHDMUPTZYZIGR-JPAZTHTMSA-N,"InChI=1S/C18H28O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h3-4,6,8,11,14H,2,5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b4-3+,8-6+,14-11+",CC/C=C/C/C=C/C=C/C(=O)CCCCCCCC(=O)O,C18H28O3,,292.203844756,ACHDMUPTZYZIGR,Fatty acids,Octadecanoids,Other Octadecanoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],4,3,8.563973903656006 111322,4458,86,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.45717695,ISDB,NCHUIUBVZLLXAJ-DDKCOJEUSA-N,"InChI=1S/C26H40O12/c1-13(8-10-27)5-4-6-14(2)23(33)35-12-17-19(28)20(29)21(30)25(37-17)38-24-18-15(7-9-26(18,3)34)16(11-36-24)22(31)32/h6,11,13,15,17-21,24-25,27-30,34H,4-5,7-10,12H2,1-3H3,(H,31,32)/b14-6+/t13-,15+,17+,18+,19+,20-,21+,24-,25-,26-/m0/s1",C/C(=C\CC[C@H](C)CCO)C(=O)OC[C@H]1O[C@@H](O[C@@H]2OC=C(C(=O)O)[C@H]3CC[C@](C)(O)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C26H40O12,,544.25197672,NCHUIUBVZLLXAJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Vitex agnus-castus,988127.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Vitex'],['Vitex agnus-castus'],4,2,6.828707814216614 111281,4455,335,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,GFPLPBCJRRNZHM-ICUGHKHQSA-N,"InChI=1S/C53H86O22/c1-23-32(57)36(61)40(65)44(70-23)74-42-33(58)26(56)20-68-46(42)73-31-11-12-49(4)29(50(31,5)22-55)10-13-52(7)30(49)9-8-24-25-18-48(2,3)14-16-53(25,17-15-51(24,52)6)47(67)75-45-41(66)38(63)35(60)28(72-45)21-69-43-39(64)37(62)34(59)27(19-54)71-43/h8,23,25-46,54-66H,9-22H2,1-7H3/t23-,25-,26-,27+,28+,29+,30+,31-,32-,33-,34+,35+,36+,37-,38-,39+,40+,41+,42+,43+,44-,45-,46-,49-,50-,51+,52+,53-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)CC[C@]6(C(=O)O[C@@H]6O[C@H](CO[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]45C)[C@]3(C)CO)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C53H86O22,pos_1_sodium,1074.5610743920006,GFPLPBCJRRNZHM,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis tibetana,972666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tibetana'],8,3,9.5 111282,4455,335,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,UEHILKCNLIKLEV-FMYTYVRISA-N,"InChI=1S/C53H86O22/c1-23-32(57)35(60)39(64)45(70-23)74-42-27(19-54)71-43(41(66)37(42)62)69-21-28-34(59)36(61)40(65)46(72-28)75-47(67)53-16-14-48(2,3)18-25(53)24-8-9-30-49(4)12-11-31(73-44-38(63)33(58)26(56)20-68-44)50(5,22-55)29(49)10-13-52(30,7)51(24,6)15-17-53/h8,23,25-46,54-66H,9-22H2,1-7H3/t23-,25-,26+,27+,28+,29+,30+,31-,32-,33+,34+,35+,36-,37+,38+,39+,40+,41+,42+,43+,44-,45-,46-,49-,50-,51+,52+,53-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C4=CC[C@@H]6[C@@]7(C)CC[C@H](O[C@@H]8OC[C@@H](O)[C@@H](O)[C@H]8O)[C@@](C)(CO)[C@@H]7CC[C@@]6(C)[C@]4(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O,C53H86O22,pos_1_sodium,1074.561074392,UEHILKCNLIKLEV,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis tibetana,972666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tibetana'],8,3,9.5 111283,4455,335,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,UEHILKCNLIKLEV-LXABABOZSA-N,"InChI=1S/C53H86O22/c1-23-32(57)35(60)39(64)45(70-23)74-42-27(19-54)71-43(41(66)37(42)62)69-21-28-34(59)36(61)40(65)46(72-28)75-47(67)53-16-14-48(2,3)18-25(53)24-8-9-30-49(4)12-11-31(73-44-38(63)33(58)26(56)20-68-44)50(5,22-55)29(49)10-13-52(30,7)51(24,6)15-17-53/h8,23,25-46,54-66H,9-22H2,1-7H3/t23-,25-,26-,27+,28+,29+,30+,31-,32-,33-,34+,35+,36-,37+,38+,39+,40+,41+,42+,43+,44-,45-,46-,49-,50-,51+,52+,53-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C4=CC[C@@H]6[C@@]7(C)CC[C@H](O[C@@H]8OC[C@H](O)[C@H](O)[C@H]8O)[C@@](C)(CO)[C@@H]7CC[C@@]6(C)[C@]4(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O,C53H86O22,pos_1_sodium,1074.561074392,UEHILKCNLIKLEV,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis chinensis,841986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis chinensis'],8,3,9.5 111284,4455,335,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,UEHILKCNLIKLEV-LXABABOZSA-N,"InChI=1S/C53H86O22/c1-23-32(57)35(60)39(64)45(70-23)74-42-27(19-54)71-43(41(66)37(42)62)69-21-28-34(59)36(61)40(65)46(72-28)75-47(67)53-16-14-48(2,3)18-25(53)24-8-9-30-49(4)12-11-31(73-44-38(63)33(58)26(56)20-68-44)50(5,22-55)29(49)10-13-52(30,7)51(24,6)15-17-53/h8,23,25-46,54-66H,9-22H2,1-7H3/t23-,25-,26-,27+,28+,29+,30+,31-,32-,33-,34+,35+,36-,37+,38+,39+,40+,41+,42+,43+,44-,45-,46-,49-,50-,51+,52+,53-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C4=CC[C@@H]6[C@@]7(C)CC[C@H](O[C@@H]8OC[C@H](O)[C@H](O)[C@H]8O)[C@@](C)(CO)[C@@H]7CC[C@@]6(C)[C@]4(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O,C53H86O22,pos_1_sodium,1074.561074392,UEHILKCNLIKLEV,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis orientalis,594147.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis orientalis'],8,3,9.5 111264,4454,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.96064395,ISDB,NBQPHANHNTWDML-HONGMTQGSA-N,"InChI=1S/C24H22O15/c25-9-4-12(28)17-13(5-9)37-22(8-1-2-10(26)11(27)3-8)23(19(17)33)39-24-21(35)20(34)18(32)14(38-24)7-36-16(31)6-15(29)30/h1-5,14,18,20-21,24-28,32,34-35H,6-7H2,(H,29,30)/t14-,18-,20+,21-,24+/m0/s1",O=C(O)CC(=O)OC[C@@H]1O[C@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@@H](O)[C@H](O)[C@H]1O,C24H22O15,,550.095870004,NBQPHANHNTWDML,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Corchorus olitorius,578269.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Apeibeae'],['Corchorus'],['Corchorus olitorius'],4,3,9.342575788497925 111265,4454,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.96064395,ISDB,NBQPHANHNTWDML-XTUREBQPSA-N,"InChI=1S/C24H22O15/c25-9-4-12(28)17-13(5-9)37-22(8-1-2-10(26)11(27)3-8)23(19(17)33)39-24-21(35)20(34)18(32)14(38-24)7-36-16(31)6-15(29)30/h1-5,14,18,20-21,24-28,32,34-35H,6-7H2,(H,29,30)/t14?,18-,20+,21-,24?/m1/s1",O=C(O)CC(=O)OCC1OC(Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C24H22O15,,550.095870004,NBQPHANHNTWDML,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Phyteuma orbiculare,743259.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Campanulaceae'],['Unknown'],['Phyteuma'],['Phyteuma orbiculare'],4,3,9.342575788497925 111266,4454,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.96064395,ISDB,NBQPHANHNTWDML-UJKBSQBPSA-N,"InChI=1S/C24H22O15/c25-9-4-12(28)17-13(5-9)37-22(8-1-2-10(26)11(27)3-8)23(19(17)33)39-24-21(35)20(34)18(32)14(38-24)7-36-16(31)6-15(29)30/h1-5,14,18,20-21,24-28,32,34-35H,6-7H2,(H,29,30)/t14-,18-,20+,21-,24+/m1/s1",O=C(O)CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C24H22O15,,550.0958700039998,NBQPHANHNTWDML,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rubus adenotrichos,3906459.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus adenotrichos'],4,3,9.342575788497925 111267,4454,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.96064395,ISDB,NBQPHANHNTWDML-UJKBSQBPSA-N,"InChI=1S/C24H22O15/c25-9-4-12(28)17-13(5-9)37-22(8-1-2-10(26)11(27)3-8)23(19(17)33)39-24-21(35)20(34)18(32)14(38-24)7-36-16(31)6-15(29)30/h1-5,14,18,20-21,24-28,32,34-35H,6-7H2,(H,29,30)/t14-,18-,20+,21-,24+/m1/s1",O=C(O)CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C24H22O15,,550.0958700039998,NBQPHANHNTWDML,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rubus adenotrichus,3906459.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus adenotrichos'],4,3,9.342575788497925 111268,4454,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.96064395,ISDB,NBQPHANHNTWDML-UJKBSQBPSA-N,"InChI=1S/C24H22O15/c25-9-4-12(28)17-13(5-9)37-22(8-1-2-10(26)11(27)3-8)23(19(17)33)39-24-21(35)20(34)18(32)14(38-24)7-36-16(31)6-15(29)30/h1-5,14,18,20-21,24-28,32,34-35H,6-7H2,(H,29,30)/t14-,18-,20+,21-,24+/m1/s1",O=C(O)CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C24H22O15,,550.0958700039998,NBQPHANHNTWDML,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rubus glaucus,896757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus glaucus'],4,3,9.342575788497925 111269,4454,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.96064395,ISDB,NBQPHANHNTWDML-NWFUCLLXSA-N,"InChI=1S/C24H22O15/c25-9-4-12(28)17-13(5-9)37-22(8-1-2-10(26)11(27)3-8)23(19(17)33)39-24-21(35)20(34)18(32)14(38-24)7-36-16(31)6-15(29)30/h1-5,14,18,20-21,24-28,32,34-35H,6-7H2,(H,29,30)/t14-,18-,20-,21-,24+/m1/s1",O=C(O)CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@@H]1O,C24H22O15,,550.095870004,NBQPHANHNTWDML,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Phaseolus vulgaris,825707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Phaseolus'],['Phaseolus vulgaris'],4,3,9.342575788497925 111270,4454,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.96064395,ISDB,NBQPHANHNTWDML-NWFUCLLXSA-N,"InChI=1S/C24H22O15/c25-9-4-12(28)17-13(5-9)37-22(8-1-2-10(26)11(27)3-8)23(19(17)33)39-24-21(35)20(34)18(32)14(38-24)7-36-16(31)6-15(29)30/h1-5,14,18,20-21,24-28,32,34-35H,6-7H2,(H,29,30)/t14-,18-,20-,21-,24+/m1/s1",O=C(O)CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@@H]1O,C24H22O15,,550.095870004,NBQPHANHNTWDML,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],4,3,9.342575788497925 111271,4454,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.96064395,ISDB,NBQPHANHNTWDML-NWFUCLLXSA-N,"InChI=1S/C24H22O15/c25-9-4-12(28)17-13(5-9)37-22(8-1-2-10(26)11(27)3-8)23(19(17)33)39-24-21(35)20(34)18(32)14(38-24)7-36-16(31)6-15(29)30/h1-5,14,18,20-21,24-28,32,34-35H,6-7H2,(H,29,30)/t14-,18-,20-,21-,24+/m1/s1",O=C(O)CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@@H]1O,C24H22O15,,550.095870004,NBQPHANHNTWDML,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Morus alba,658488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Morus'],['Morus alba'],4,3,9.342575788497925 111272,4454,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.96064395,ISDB,NBQPHANHNTWDML-UJKBSQBPSA-N,"InChI=1S/C24H22O15/c25-9-4-12(28)17-13(5-9)37-22(8-1-2-10(26)11(27)3-8)23(19(17)33)39-24-21(35)20(34)18(32)14(38-24)7-36-16(31)6-15(29)30/h1-5,14,18,20-21,24-28,32,34-35H,6-7H2,(H,29,30)/t14-,18-,20+,21-,24+/m1/s1",O=C(O)CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C24H22O15,,550.0958700039998,NBQPHANHNTWDML,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Smyrnium olusatrum,478994.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Smyrnieae'],['Smyrnium'],['Smyrnium olusatrum'],4,3,9.342575788497925 111273,4454,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.96064395,ISDB,NBQPHANHNTWDML-NWFUCLLXSA-N,"InChI=1S/C24H22O15/c25-9-4-12(28)17-13(5-9)37-22(8-1-2-10(26)11(27)3-8)23(19(17)33)39-24-21(35)20(34)18(32)14(38-24)7-36-16(31)6-15(29)30/h1-5,14,18,20-21,24-28,32,34-35H,6-7H2,(H,29,30)/t14-,18-,20-,21-,24+/m1/s1",O=C(O)CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@@H]1O,C24H22O15,,550.095870004,NBQPHANHNTWDML,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Humulus lupulus,84020.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Cannabaceae'],['Unknown'],['Humulus'],['Humulus lupulus'],4,3,9.342575788497925 111274,4454,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.96064395,ISDB,NBQPHANHNTWDML-NWFUCLLXSA-N,"InChI=1S/C24H22O15/c25-9-4-12(28)17-13(5-9)37-22(8-1-2-10(26)11(27)3-8)23(19(17)33)39-24-21(35)20(34)18(32)14(38-24)7-36-16(31)6-15(29)30/h1-5,14,18,20-21,24-28,32,34-35H,6-7H2,(H,29,30)/t14-,18-,20-,21-,24+/m1/s1",O=C(O)CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@@H]1O,C24H22O15,,550.095870004,NBQPHANHNTWDML,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Salicornia depressa,245804.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Chenopodiaceae'],['Unknown'],['Salicornia'],['Salicornia virginica'],4,3,9.342575788497925 111275,4454,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.96064395,ISDB,NBQPHANHNTWDML-NWFUCLLXSA-N,"InChI=1S/C24H22O15/c25-9-4-12(28)17-13(5-9)37-22(8-1-2-10(26)11(27)3-8)23(19(17)33)39-24-21(35)20(34)18(32)14(38-24)7-36-16(31)6-15(29)30/h1-5,14,18,20-21,24-28,32,34-35H,6-7H2,(H,29,30)/t14-,18-,20-,21-,24+/m1/s1",O=C(O)CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@@H]1O,C24H22O15,,550.095870004,NBQPHANHNTWDML,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Salicornia maritima,1024331.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Chenopodiaceae'],['Unknown'],['Salicornia'],['Salicornia maritima'],4,3,9.342575788497925 111276,4454,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.96064395,ISDB,NBQPHANHNTWDML-NWFUCLLXSA-N,"InChI=1S/C24H22O15/c25-9-4-12(28)17-13(5-9)37-22(8-1-2-10(26)11(27)3-8)23(19(17)33)39-24-21(35)20(34)18(32)14(38-24)7-36-16(31)6-15(29)30/h1-5,14,18,20-21,24-28,32,34-35H,6-7H2,(H,29,30)/t14-,18-,20-,21-,24+/m1/s1",O=C(O)CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@@H]1O,C24H22O15,,550.095870004,NBQPHANHNTWDML,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Salicornia europaea,138420.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Chenopodiaceae'],['Unknown'],['Salicornia'],['Salicornia europaea'],4,3,9.342575788497925 110970,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium pentagynum,782529.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium pentagynum'],6,0,6.0 110971,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,JVBLTQQBEQQLEV-QSWCHXNUSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15-,16-,17+,18-,19-,20-,21?,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@@H](O)[C@]34C1[C@](O)([C@H](OC)[C@H]23)[C@@]1(O)C[C@@H](OC)[C@H]2C[C@@H]4[C@H]1[C@@H]2OC,C25H41NO7,pos_1_1proton1ammonium,467.288302652,JVBLTQQBEQQLEV,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum napellus,586780.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum napellus'],6,0,6.0 110972,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,JVBLTQQBEQQLEV-QSWCHXNUSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15-,16-,17+,18-,19-,20-,21?,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@@H](O)[C@]34C1[C@](O)([C@H](OC)[C@H]23)[C@@]1(O)C[C@@H](OC)[C@H]2C[C@@H]4[C@H]1[C@@H]2OC,C25H41NO7,pos_1_1proton1ammonium,467.288302652,JVBLTQQBEQQLEV,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum barbatum,625500.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum barbatum'],6,0,6.0 110973,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,JVBLTQQBEQQLEV-YAEAOFIFSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21?,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@H](O)[C@]34C1[C@](O)([C@@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2OC,C25H41NO7,pos_1_1proton1ammonium,467.288302652,JVBLTQQBEQQLEV,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium ambiguum,756488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida ajacis'],6,0,6.0 110974,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,JVBLTQQBEQQLEV-QSWCHXNUSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15-,16-,17+,18-,19-,20-,21?,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@@H](O)[C@]34C1[C@](O)([C@H](OC)[C@H]23)[C@@]1(O)C[C@@H](OC)[C@H]2C[C@@H]4[C@H]1[C@@H]2OC,C25H41NO7,pos_1_1proton1ammonium,467.288302652,JVBLTQQBEQQLEV,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Consolida ambigua,693548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida ambigua'],6,0,6.0 110975,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,JVBLTQQBEQQLEV-QSWCHXNUSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15-,16-,17+,18-,19-,20-,21?,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@@H](O)[C@]34C1[C@](O)([C@H](OC)[C@H]23)[C@@]1(O)C[C@@H](OC)[C@H]2C[C@@H]4[C@H]1[C@@H]2OC,C25H41NO7,pos_1_1proton1ammonium,467.288302652,JVBLTQQBEQQLEV,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium potaninii,699542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium potaninii'],6,0,6.0 110976,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,JVBLTQQBEQQLEV-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,JVBLTQQBEQQLEV,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum variegatum,586783.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum variegatum'],6,0,6.0 110977,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,JVBLTQQBEQQLEV-QSWCHXNUSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15-,16-,17+,18-,19-,20-,21?,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@@H](O)[C@]34C1[C@](O)([C@H](OC)[C@H]23)[C@@]1(O)C[C@@H](OC)[C@H]2C[C@@H]4[C@H]1[C@@H]2OC,C25H41NO7,pos_1_1proton1ammonium,467.288302652,JVBLTQQBEQQLEV,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum vulparia,5511358.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum lycoctonum'],6,0,6.0 110978,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,JVBLTQQBEQQLEV-YAEAOFIFSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21?,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@H](O)[C@]34C1[C@](O)([C@@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2OC,C25H41NO7,pos_1_1proton1ammonium,467.288302652,JVBLTQQBEQQLEV,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Consolida pubescens,733338.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida pubescens'],6,0,6.0 110979,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,JVBLTQQBEQQLEV-QSWCHXNUSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15-,16-,17+,18-,19-,20-,21?,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@@H](O)[C@]34C1[C@](O)([C@H](OC)[C@H]23)[C@@]1(O)C[C@@H](OC)[C@H]2C[C@@H]4[C@H]1[C@@H]2OC,C25H41NO7,pos_1_1proton1ammonium,467.288302652,JVBLTQQBEQQLEV,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Consolida orientalis,701719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida orientalis'],6,0,6.0 110980,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,JVBLTQQBEQQLEV-QSWCHXNUSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15-,16-,17+,18-,19-,20-,21?,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@@H](O)[C@]34C1[C@](O)([C@H](OC)[C@H]23)[C@@]1(O)C[C@@H](OC)[C@H]2C[C@@H]4[C@H]1[C@@H]2OC,C25H41NO7,pos_1_1proton1ammonium,467.288302652,JVBLTQQBEQQLEV,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium oliverianum,733345.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida oliveriana'],6,0,6.0 110981,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,JVBLTQQBEQQLEV-QSWCHXNUSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15-,16-,17+,18-,19-,20-,21?,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@@H](O)[C@]34C1[C@](O)([C@H](OC)[C@H]23)[C@@]1(O)C[C@@H](OC)[C@H]2C[C@@H]4[C@H]1[C@@H]2OC,C25H41NO7,pos_1_1proton1ammonium,467.288302652,JVBLTQQBEQQLEV,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Consolida ajacis,756488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida ajacis'],6,0,6.0 110982,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,JVBLTQQBEQQLEV-QSWCHXNUSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15-,16-,17+,18-,19-,20-,21?,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@@H](O)[C@]34C1[C@](O)([C@H](OC)[C@H]23)[C@@]1(O)C[C@@H](OC)[C@H]2C[C@@H]4[C@H]1[C@@H]2OC,C25H41NO7,pos_1_1proton1ammonium,467.288302652,JVBLTQQBEQQLEV,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium ajacis,756488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida ajacis'],6,0,6.0 110983,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,JVBLTQQBEQQLEV-JOPURWDVSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20-,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.288302652,JVBLTQQBEQQLEV,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum karakolicum,44345.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum karakolicum'],6,0,6.0 110984,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,JVBLTQQBEQQLEV-QSWCHXNUSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15-,16-,17+,18-,19-,20-,21?,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@@H](O)[C@]34C1[C@](O)([C@H](OC)[C@H]23)[C@@]1(O)C[C@@H](OC)[C@H]2C[C@@H]4[C@H]1[C@@H]2OC,C25H41NO7,pos_1_1proton1ammonium,467.288302652,JVBLTQQBEQQLEV,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium confusum,6131625.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium confusum'],6,0,6.0 110985,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,JVBLTQQBEQQLEV-YAEAOFIFSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21?,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@H](O)[C@]34C1[C@](O)([C@@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2OC,C25H41NO7,pos_1_1proton1ammonium,467.288302652,JVBLTQQBEQQLEV,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium pubescens,756488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida ajacis'],6,0,6.0 110986,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,MODXUQZMEBLSJD-WIRSCEAYSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(32-4)24-14-9-13-15(31-3)10-23(28,17(14)18(13)27)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16-,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,MODXUQZMEBLSJD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium carolinianum,529153.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium carolinianum'],6,0,6.0 110987,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,JVBLTQQBEQQLEV-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,JVBLTQQBEQQLEV,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum lycoctonum,14055.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum lycoctonum'],6,0,6.0 110988,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,JVBLTQQBEQQLEV-QSWCHXNUSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15-,16-,17+,18-,19-,20-,21?,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@@H](O)[C@]34C1[C@](O)([C@H](OC)[C@H]23)[C@@]1(O)C[C@@H](OC)[C@H]2C[C@@H]4[C@H]1[C@@H]2OC,C25H41NO7,pos_1_1proton1ammonium,467.288302652,JVBLTQQBEQQLEV,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium barbeyi,591161.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium barbeyi'],6,0,6.0 110989,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,JVBLTQQBEQQLEV-QSWCHXNUSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15-,16-,17+,18-,19-,20-,21?,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@@H](O)[C@]34C1[C@](O)([C@H](OC)[C@H]23)[C@@]1(O)C[C@@H](OC)[C@H]2C[C@@H]4[C@H]1[C@@H]2OC,C25H41NO7,pos_1_1proton1ammonium,467.288302652,JVBLTQQBEQQLEV,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium ajacis,756488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida ajacis'],6,0,6.0 110990,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,JVBLTQQBEQQLEV-JOPURWDVSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20-,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.288302652,JVBLTQQBEQQLEV,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum karakolicum,44345.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum karakolicum'],6,0,6.0 110991,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,JVBLTQQBEQQLEV-QSWCHXNUSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15-,16-,17+,18-,19-,20-,21?,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@@H](O)[C@]34C1[C@](O)([C@H](OC)[C@H]23)[C@@]1(O)C[C@@H](OC)[C@H]2C[C@@H]4[C@H]1[C@@H]2OC,C25H41NO7,pos_1_1proton1ammonium,467.288302652,JVBLTQQBEQQLEV,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium confusum,6131625.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium confusum'],6,0,6.0 110992,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,JVBLTQQBEQQLEV-UHFFFAOYSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3",CCN1CC2(COC)CCC(O)C34C5CC6C(OC)CC(O)(C5C6OC)C(O)(C(OC)C23)C14,C25H41NO7,pos_1_1proton1ammonium,467.288302652,JVBLTQQBEQQLEV,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium consolida,756488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida ajacis'],6,0,6.0 110993,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,JVBLTQQBEQQLEV-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,JVBLTQQBEQQLEV,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Consolida regalis,733334.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida regalis'],6,0,6.0 110994,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,JVBLTQQBEQQLEV-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,JVBLTQQBEQQLEV,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium tatsienense,176347.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium tatsienense'],6,0,6.0 110995,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,JVBLTQQBEQQLEV-QSWCHXNUSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15-,16-,17+,18-,19-,20-,21?,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@@H](O)[C@]34C1[C@](O)([C@H](OC)[C@H]23)[C@@]1(O)C[C@@H](OC)[C@H]2C[C@@H]4[C@H]1[C@@H]2OC,C25H41NO7,pos_1_1proton1ammonium,467.288302652,JVBLTQQBEQQLEV,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium biternatum,884042.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium biternatum'],6,0,6.0 110996,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,JVBLTQQBEQQLEV-UHFFFAOYSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3",CCN1CC2(COC)CCC(O)C34C5CC6C(OC)CC(O)(C5C6OC)C(O)(C(OC)C23)C14,C25H41NO7,pos_1_1proton1ammonium,467.288302652,JVBLTQQBEQQLEV,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum georgei,1061369.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum georgei'],6,0,6.0 110997,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,JVBLTQQBEQQLEV-UHFFFAOYSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3",CCN1CC2(COC)CCC(O)C34C5CC6C(OC)CC(O)(C5C6OC)C(O)(C(OC)C23)C14,C25H41NO7,pos_1_1proton1ammonium,467.288302652,JVBLTQQBEQQLEV,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum franchetii,1088654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum franchetii'],6,0,6.0 110998,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,JVBLTQQBEQQLEV-QSWCHXNUSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15-,16-,17+,18-,19-,20-,21?,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@@H](O)[C@]34C1[C@](O)([C@H](OC)[C@H]23)[C@@]1(O)C[C@@H](OC)[C@H]2C[C@@H]4[C@H]1[C@@H]2OC,C25H41NO7,pos_1_1proton1ammonium,467.288302652,JVBLTQQBEQQLEV,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum monticola,625485.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum monticola'],6,0,6.0 110999,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,JVBLTQQBEQQLEV-QSWCHXNUSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15-,16-,17+,18-,19-,20-,21?,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@@H](O)[C@]34C1[C@](O)([C@H](OC)[C@H]23)[C@@]1(O)C[C@@H](OC)[C@H]2C[C@@H]4[C@H]1[C@@H]2OC,C25H41NO7,pos_1_1proton1ammonium,467.288302652,JVBLTQQBEQQLEV,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium yunnanense,6131857.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium yunnanense'],6,0,6.0 111000,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,JVBLTQQBEQQLEV-QSWCHXNUSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15-,16-,17+,18-,19-,20-,21?,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@@H](O)[C@]34C1[C@](O)([C@H](OC)[C@H]23)[C@@]1(O)C[C@@H](OC)[C@H]2C[C@@H]4[C@H]1[C@@H]2OC,C25H41NO7,pos_1_1proton1ammonium,467.288302652,JVBLTQQBEQQLEV,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum leucostomum,723178.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum leucostomum'],6,0,6.0 111001,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,JVBLTQQBEQQLEV-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,JVBLTQQBEQQLEV,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium uralense,6131833.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium uralense'],6,0,6.0 111002,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,JVBLTQQBEQQLEV-QSWCHXNUSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15-,16-,17+,18-,19-,20-,21?,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@@H](O)[C@]34C1[C@](O)([C@H](OC)[C@H]23)[C@@]1(O)C[C@@H](OC)[C@H]2C[C@@H]4[C@H]1[C@@H]2OC,C25H41NO7,pos_1_1proton1ammonium,467.288302652,JVBLTQQBEQQLEV,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium occidentale,3944974.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium occidentale'],6,0,6.0 111003,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,JVBLTQQBEQQLEV-UHFFFAOYSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3",CCN1CC2(COC)CCC(O)C34C5CC6C(OC)CC(O)(C5C6OC)C(O)(C(OC)C23)C14,C25H41NO7,pos_1_1proton1ammonium,467.288302652,JVBLTQQBEQQLEV,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum longtouense,488241.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum longtouense'],6,0,6.0 111004,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,MODXUQZMEBLSJD-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(32-4)24-14-9-13-15(31-3)10-23(28,17(14)18(13)27)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,MODXUQZMEBLSJD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium confusum,6131625.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium confusum'],6,0,6.0 111005,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,MODXUQZMEBLSJD-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(32-4)24-14-9-13-15(31-3)10-23(28,17(14)18(13)27)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,MODXUQZMEBLSJD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium yunnanense,6131857.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium yunnanense'],6,0,6.0 111006,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,MODXUQZMEBLSJD-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(32-4)24-14-9-13-15(31-3)10-23(28,17(14)18(13)27)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,MODXUQZMEBLSJD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium umbrosum,5737858.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium umbrosum'],6,0,6.0 111007,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,MODXUQZMEBLSJD-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(32-4)24-14-9-13-15(31-3)10-23(28,17(14)18(13)27)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,MODXUQZMEBLSJD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium menziesii,643534.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium menziesii'],6,0,6.0 111008,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,MODXUQZMEBLSJD-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(32-4)24-14-9-13-15(31-3)10-23(28,17(14)18(13)27)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,MODXUQZMEBLSJD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium occidentale,3944974.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium occidentale'],6,0,6.0 111009,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,MODXUQZMEBLSJD-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(32-4)24-14-9-13-15(31-3)10-23(28,17(14)18(13)27)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,MODXUQZMEBLSJD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium leroyi,259373.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium leroyi'],6,0,6.0 111010,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,MODXUQZMEBLSJD-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(32-4)24-14-9-13-15(31-3)10-23(28,17(14)18(13)27)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,MODXUQZMEBLSJD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Consolida ambigua,693548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida ambigua'],6,0,6.0 111011,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,MODXUQZMEBLSJD-UHFFFAOYSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(32-4)24-14-9-13-15(31-3)10-23(28,17(14)18(13)27)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3",CCN1CC2(COC)CCC(OC)C34C5CC6C(OC)CC(O)(C5C6O)C(O)(C(OC)C23)C14,C25H41NO7,pos_1_1proton1ammonium,467.288302652,MODXUQZMEBLSJD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium majus,6131723.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium majus'],6,0,6.0 111012,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,MODXUQZMEBLSJD-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(32-4)24-14-9-13-15(31-3)10-23(28,17(14)18(13)27)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,MODXUQZMEBLSJD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Consolida orientalis,701719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida orientalis'],6,0,6.0 111013,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,MODXUQZMEBLSJD-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(32-4)24-14-9-13-15(31-3)10-23(28,17(14)18(13)27)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,MODXUQZMEBLSJD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium nuttallianum,643524.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium nuttallianum'],6,0,6.0 111014,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,MODXUQZMEBLSJD-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(32-4)24-14-9-13-15(31-3)10-23(28,17(14)18(13)27)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,MODXUQZMEBLSJD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium oliverianum,733345.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida oliveriana'],6,0,6.0 111015,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,MODXUQZMEBLSJD-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(32-4)24-14-9-13-15(31-3)10-23(28,17(14)18(13)27)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,MODXUQZMEBLSJD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium ajacis,756488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida ajacis'],6,0,6.0 111016,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,MODXUQZMEBLSJD-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(32-4)24-14-9-13-15(31-3)10-23(28,17(14)18(13)27)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,MODXUQZMEBLSJD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium omeiense,699546.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium omeiense'],6,0,6.0 111017,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,MODXUQZMEBLSJD-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(32-4)24-14-9-13-15(31-3)10-23(28,17(14)18(13)27)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,MODXUQZMEBLSJD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium pentagynum,782529.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium pentagynum'],6,0,6.0 111018,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,MODXUQZMEBLSJD-WIRSCEAYSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(32-4)24-14-9-13-15(31-3)10-23(28,17(14)18(13)27)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16-,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,MODXUQZMEBLSJD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium carolinianum,529153.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium carolinianum'],6,0,6.0 111019,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,MODXUQZMEBLSJD-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(32-4)24-14-9-13-15(31-3)10-23(28,17(14)18(13)27)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,MODXUQZMEBLSJD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium confusum,6131625.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium confusum'],6,0,6.0 111020,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,MODXUQZMEBLSJD-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(32-4)24-14-9-13-15(31-3)10-23(28,17(14)18(13)27)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,MODXUQZMEBLSJD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium yunnanense,6131857.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium yunnanense'],6,0,6.0 111021,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,MODXUQZMEBLSJD-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(32-4)24-14-9-13-15(31-3)10-23(28,17(14)18(13)27)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,MODXUQZMEBLSJD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Consolida ajacis,756488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida ajacis'],6,0,6.0 111022,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,MODXUQZMEBLSJD-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(32-4)24-14-9-13-15(31-3)10-23(28,17(14)18(13)27)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,MODXUQZMEBLSJD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium barbeyi,591161.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium barbeyi'],6,0,6.0 111023,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,MODXUQZMEBLSJD-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(32-4)24-14-9-13-15(31-3)10-23(28,17(14)18(13)27)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,MODXUQZMEBLSJD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium brunonianum,259375.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium minjanense'],6,0,6.0 111024,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,MODXUQZMEBLSJD-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(32-4)24-14-9-13-15(31-3)10-23(28,17(14)18(13)27)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,MODXUQZMEBLSJD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium macrocentrum,259368.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium macrocentrum'],6,0,6.0 111025,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,MODXUQZMEBLSJD-QLPMSXOHSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(32-4)24-14-9-13-15(31-3)10-23(28,17(14)18(13)27)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16-,17-,18-,19-,20-,21+,22+,23-,24+,25-/m0/s1",CCN1C[C@@]2(COC)CC[C@H](OC)[C@@]34[C@@H]1[C@@](O)([C@@H](OC)[C@@H]23)[C@]1(O)C[C@@H](OC)[C@@H]2C[C@H]4[C@H]1[C@H]2O,C25H41NO7,pos_1_1proton1ammonium,467.288302652,MODXUQZMEBLSJD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium glaucum,931149.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium glaucum'],6,0,6.0 111026,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,MODXUQZMEBLSJD-UHFFFAOYSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(32-4)24-14-9-13-15(31-3)10-23(28,17(14)18(13)27)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3",CCN1CC2(COC)CCC(OC)C34C5CC6C(OC)CC(O)(C5C6O)C(O)(C(OC)C23)C14,C25H41NO7,pos_1_1proton1ammonium,467.288302652,MODXUQZMEBLSJD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum delphiniifolium,506023.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum delphiniifolium'],6,0,6.0 111027,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,MODXUQZMEBLSJD-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(32-4)24-14-9-13-15(31-3)10-23(28,17(14)18(13)27)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,MODXUQZMEBLSJD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum orientale,586781.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum orientale'],6,0,6.0 111028,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,MODXUQZMEBLSJD-OGYQBBOKSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(32-4)24-14-9-13-15(31-3)10-23(28,17(14)18(13)27)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16-,17-,18+,19+,20+,21-,22+,23-,24-,25+/m1/s1",CCN1C[C@]2(COC)CC[C@@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@H]13)[C@@H](OC)[C@@H]24,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,MODXUQZMEBLSJD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium biternatum,884042.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium biternatum'],6,0,6.0 111029,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,MODXUQZMEBLSJD-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(32-4)24-14-9-13-15(31-3)10-23(28,17(14)18(13)27)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,MODXUQZMEBLSJD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium tatsienense,176347.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium tatsienense'],6,0,6.0 111030,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,MODXUQZMEBLSJD-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(32-4)24-14-9-13-15(31-3)10-23(28,17(14)18(13)27)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,MODXUQZMEBLSJD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium glaucescens,70143.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium glaucescens'],6,0,6.0 111031,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,MODXUQZMEBLSJD-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(32-4)24-14-9-13-15(31-3)10-23(28,17(14)18(13)27)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,MODXUQZMEBLSJD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium zalil,224726.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium semibarbatum'],6,0,6.0 111032,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,MODXUQZMEBLSJD-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(32-4)24-14-9-13-15(31-3)10-23(28,17(14)18(13)27)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,MODXUQZMEBLSJD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium semibarbartum,3944980.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium semibarbartum'],6,0,6.0 111033,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,MODXUQZMEBLSJD-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(32-4)24-14-9-13-15(31-3)10-23(28,17(14)18(13)27)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,MODXUQZMEBLSJD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium semibarbatum,224726.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium semibarbatum'],6,0,6.0 111034,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,MODXUQZMEBLSJD-UHFFFAOYSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(32-4)24-14-9-13-15(31-3)10-23(28,17(14)18(13)27)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3",CCN1CC2(COC)CCC(OC)C34C5CC6C(OC)CC(O)(C5C6O)C(O)(C(OC)C23)C14,C25H41NO7,pos_1_1proton1ammonium,467.288302652,MODXUQZMEBLSJD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium mollipilum,6131736.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium mollipilum'],6,0,6.0 111035,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,MODXUQZMEBLSJD-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(32-4)24-14-9-13-15(31-3)10-23(28,17(14)18(13)27)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,MODXUQZMEBLSJD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium crispulum,309502.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium crispulum'],6,0,6.0 111036,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,MODXUQZMEBLSJD-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(32-4)24-14-9-13-15(31-3)10-23(28,17(14)18(13)27)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,MODXUQZMEBLSJD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium linearilobum,7591246.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium linearilobum'],6,0,6.0 111037,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,MODXUQZMEBLSJD-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(32-4)24-14-9-13-15(31-3)10-23(28,17(14)18(13)27)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,MODXUQZMEBLSJD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium corymbosum,5737883.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium iliense'],6,0,6.0 111038,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,MODXUQZMEBLSJD-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(32-4)24-14-9-13-15(31-3)10-23(28,17(14)18(13)27)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,MODXUQZMEBLSJD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium iliense,5737883.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium iliense'],6,0,6.0 111039,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,MODXUQZMEBLSJD-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(32-4)24-14-9-13-15(31-3)10-23(28,17(14)18(13)27)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,MODXUQZMEBLSJD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium cyphoplectrum,309504.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium cyphoplectrum'],6,0,6.0 111040,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,JVBLTQQBEQQLEV-QSWCHXNUSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15-,16-,17+,18-,19-,20-,21?,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@@H](O)[C@]34C1[C@](O)([C@H](OC)[C@H]23)[C@@]1(O)C[C@@H](OC)[C@H]2C[C@@H]4[C@H]1[C@@H]2OC,C25H41NO7,pos_1_1proton1ammonium,467.288302652,JVBLTQQBEQQLEV,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Consolida ajacis,756488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida ajacis'],6,0,6.0 111041,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,JVBLTQQBEQQLEV-QSWCHXNUSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15-,16-,17+,18-,19-,20-,21?,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@@H](O)[C@]34C1[C@](O)([C@H](OC)[C@H]23)[C@@]1(O)C[C@@H](OC)[C@H]2C[C@@H]4[C@H]1[C@@H]2OC,C25H41NO7,pos_1_1proton1ammonium,467.288302652,JVBLTQQBEQQLEV,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium oliverianum,733345.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida oliveriana'],6,0,6.0 111042,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,JVBLTQQBEQQLEV-QSWCHXNUSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15-,16-,17+,18-,19-,20-,21?,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@@H](O)[C@]34C1[C@](O)([C@H](OC)[C@H]23)[C@@]1(O)C[C@@H](OC)[C@H]2C[C@@H]4[C@H]1[C@@H]2OC,C25H41NO7,pos_1_1proton1ammonium,467.288302652,JVBLTQQBEQQLEV,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Consolida orientalis,701719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida orientalis'],6,0,6.0 111043,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,JVBLTQQBEQQLEV-YAEAOFIFSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21?,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@H](O)[C@]34C1[C@](O)([C@@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2OC,C25H41NO7,pos_1_1proton1ammonium,467.288302652,JVBLTQQBEQQLEV,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium pubescens,756488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida ajacis'],6,0,6.0 111044,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,ZUMVRGDGUZROMJ-UHFFFAOYSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(33-5,17(14)18(13)28)25(29,21(24)26)20(32-4)19(22)24/h13-21,27-29H,6-12H2,1-5H3",CCN1CC2(COC)CCC(O)C34C5CC6C(OC)CC(OC)(C5C6O)C(O)(C(OC)C23)C14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,ZUMVRGDGUZROMJ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium crispulum,309502.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium crispulum'],6,0,6.0 111045,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,ZUMVRGDGUZROMJ-UHFFFAOYSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(33-5,17(14)18(13)28)25(29,21(24)26)20(32-4)19(22)24/h13-21,27-29H,6-12H2,1-5H3",CCN1CC2(COC)CCC(O)C34C5CC6C(OC)CC(OC)(C5C6O)C(O)(C(OC)C23)C14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,ZUMVRGDGUZROMJ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Consolida orientalis,701719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida orientalis'],6,0,6.0 111046,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,ZUMVRGDGUZROMJ-UHFFFAOYSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(33-5,17(14)18(13)28)25(29,21(24)26)20(32-4)19(22)24/h13-21,27-29H,6-12H2,1-5H3",CCN1CC2(COC)CCC(O)C34C5CC6C(OC)CC(OC)(C5C6O)C(O)(C(OC)C23)C14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,ZUMVRGDGUZROMJ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium scabriflorum,6131796.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium scabriflorum'],6,0,6.0 111047,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,ZUMVRGDGUZROMJ-QNITWFEASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(33-5,17(14)18(13)28)25(29,21(24)26)20(32-4)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25?/m1/s1",CCN1C[C@]2(COC)CC[C@H](O)[C@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](OC)(C[C@@H]6OC)C(O)([C@@H]13)[C@@H](OC)[C@H]24,C25H41NO7,pos_1_1proton1ammonium,467.288302652,ZUMVRGDGUZROMJ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium macrocentrum,259368.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium macrocentrum'],6,0,6.0 111048,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,ZUMVRGDGUZROMJ-QNITWFEASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(33-5,17(14)18(13)28)25(29,21(24)26)20(32-4)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25?/m1/s1",CCN1C[C@]2(COC)CC[C@H](O)[C@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](OC)(C[C@@H]6OC)C(O)([C@@H]13)[C@@H](OC)[C@H]24,C25H41NO7,pos_1_1proton1ammonium,467.288302652,ZUMVRGDGUZROMJ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium nuttallianum,643524.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium nuttallianum'],6,0,6.0 111049,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,ZUMVRGDGUZROMJ-QNITWFEASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(33-5,17(14)18(13)28)25(29,21(24)26)20(32-4)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25?/m1/s1",CCN1C[C@]2(COC)CC[C@H](O)[C@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](OC)(C[C@@H]6OC)C(O)([C@@H]13)[C@@H](OC)[C@H]24,C25H41NO7,pos_1_1proton1ammonium,467.288302652,ZUMVRGDGUZROMJ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium menziesii,643534.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium menziesii'],6,0,6.0 111050,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,ZUMVRGDGUZROMJ-UHFFFAOYSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(33-5,17(14)18(13)28)25(29,21(24)26)20(32-4)19(22)24/h13-21,27-29H,6-12H2,1-5H3",CCN1CC2(COC)CCC(O)C34C5CC6C(OC)CC(OC)(C5C6O)C(O)(C(OC)C23)C14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,ZUMVRGDGUZROMJ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium stapeliosum,6131808.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium stapeliosum'],6,0,6.0 111051,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,ZUMVRGDGUZROMJ-QNITWFEASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(33-5,17(14)18(13)28)25(29,21(24)26)20(32-4)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25?/m1/s1",CCN1C[C@]2(COC)CC[C@H](O)[C@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](OC)(C[C@@H]6OC)C(O)([C@@H]13)[C@@H](OC)[C@H]24,C25H41NO7,pos_1_1proton1ammonium,467.288302652,ZUMVRGDGUZROMJ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium leroyi,259373.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium leroyi'],6,0,6.0 111052,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,ZUMVRGDGUZROMJ-QNITWFEASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(33-5,17(14)18(13)28)25(29,21(24)26)20(32-4)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25?/m1/s1",CCN1C[C@]2(COC)CC[C@H](O)[C@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](OC)(C[C@@H]6OC)C(O)([C@@H]13)[C@@H](OC)[C@H]24,C25H41NO7,pos_1_1proton1ammonium,467.288302652,ZUMVRGDGUZROMJ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium ajacis,756488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida ajacis'],6,0,6.0 111053,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,ZUMVRGDGUZROMJ-QNITWFEASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(33-5,17(14)18(13)28)25(29,21(24)26)20(32-4)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25?/m1/s1",CCN1C[C@]2(COC)CC[C@H](O)[C@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](OC)(C[C@@H]6OC)C(O)([C@@H]13)[C@@H](OC)[C@H]24,C25H41NO7,pos_1_1proton1ammonium,467.288302652,ZUMVRGDGUZROMJ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Consolida ajacis,756488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida ajacis'],6,0,6.0 111054,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,ZUMVRGDGUZROMJ-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(33-5,17(14)18(13)28)25(29,21(24)26)20(32-4)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](OC)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,ZUMVRGDGUZROMJ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Consolida pubescens,733338.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida pubescens'],6,0,6.0 111055,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,ZUMVRGDGUZROMJ-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(33-5,17(14)18(13)28)25(29,21(24)26)20(32-4)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](OC)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,ZUMVRGDGUZROMJ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium pubescens,756488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida ajacis'],6,0,6.0 111056,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,ZUMVRGDGUZROMJ-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(33-5,17(14)18(13)28)25(29,21(24)26)20(32-4)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](OC)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,ZUMVRGDGUZROMJ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium orientale,701719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida orientalis'],6,0,6.0 111057,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,ZUMVRGDGUZROMJ-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(33-5,17(14)18(13)28)25(29,21(24)26)20(32-4)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](OC)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,ZUMVRGDGUZROMJ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium linearilobum,7591246.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium linearilobum'],6,0,6.0 111058,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,ZUMVRGDGUZROMJ-QNITWFEASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(33-5,17(14)18(13)28)25(29,21(24)26)20(32-4)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25?/m1/s1",CCN1C[C@]2(COC)CC[C@H](O)[C@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](OC)(C[C@@H]6OC)C(O)([C@@H]13)[C@@H](OC)[C@H]24,C25H41NO7,pos_1_1proton1ammonium,467.288302652,ZUMVRGDGUZROMJ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium potaninii,699542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium potaninii'],6,0,6.0 111059,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,ZUMVRGDGUZROMJ-UHFFFAOYSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(33-5,17(14)18(13)28)25(29,21(24)26)20(32-4)19(22)24/h13-21,27-29H,6-12H2,1-5H3",CCN1CC2(COC)CCC(O)C34C5CC6C(OC)CC(OC)(C5C6O)C(O)(C(OC)C23)C14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,ZUMVRGDGUZROMJ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium carduchorum,884028.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium carduchorum'],6,0,6.0 111060,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,ZUMVRGDGUZROMJ-YVNSXEBHSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(33-5,17(14)18(13)28)25(29,21(24)26)20(32-4)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16-,17-,18-,19+,20+,21-,22-,23-,24-,25+/m0/s1",CCN1C[C@]2(COC)CC[C@H](O)[C@@]34[C@@H]2[C@@H](OC)[C@@](O)([C@@H]13)[C@]1(OC)C[C@@H](OC)[C@@H]2C[C@H]4[C@H]1[C@H]2O,C25H41NO7,pos_1_1proton1ammonium,467.288302652,ZUMVRGDGUZROMJ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium grandiflorum,1004833.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium grandiflorum'],6,0,6.0 111061,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,ZUMVRGDGUZROMJ-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(33-5,17(14)18(13)28)25(29,21(24)26)20(32-4)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](OC)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,ZUMVRGDGUZROMJ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium tatsienense,176347.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium tatsienense'],6,0,6.0 111062,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,ZHKWZOSWJFLWBA-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(32-4)24-14-9-13-15(31-3)10-23(28,17(14)18(13)33-5)25(29,21(24)26)20(27)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](O)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.288302652,ZHKWZOSWJFLWBA,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum sajanense,5737820.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum sajanense'],6,0,6.0 111063,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,ZHKWZOSWJFLWBA-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(32-4)24-14-9-13-15(31-3)10-23(28,17(14)18(13)33-5)25(29,21(24)26)20(27)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](O)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.288302652,ZHKWZOSWJFLWBA,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum barbatum,625500.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum barbatum'],6,0,6.0 111064,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,BWOVBUJCJDASBC-WPENWWETSA-N,"InChI=1S/C25H41NO7/c1-5-26-11-22(12-31-2)7-6-17(27)24-15-8-13-16(32-3)10-23(29,9-14(15)18(13)28)25(30,21(24)26)20(33-4)19(22)24/h13-21,27-30H,5-12H2,1-4H3/t13-,14-,15-,16+,17+,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5C[C@@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.288302652,BWOVBUJCJDASBC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium leroyi,259373.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium leroyi'],6,0,6.0 111065,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,ODGJERSCDQAVFS-UHFFFAOYSA-N,"InChI=1S/C25H41NO7/c1-5-8-26-11-22(12-27)7-6-16(32-3)24-14-9-13-15(31-2)10-23(29,17(14)18(13)28)25(30,21(24)26)20(33-4)19(22)24/h13-21,27-30H,5-12H2,1-4H3",CCCN1CC2(CO)CCC(OC)C34C5CC6C(OC)CC(O)(C5C6O)C(O)(C(OC)C23)C14,C25H41NO7,pos_1_1proton1ammonium,467.288302652,ODGJERSCDQAVFS,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium macrocentrum,259368.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium macrocentrum'],6,0,6.0 111066,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YWHBAYCZDOMFAJ-UHFFFAOYSA-N,"InChI=1S/C25H41NO7/c1-5-8-26-11-22(12-31-2)7-6-16(27)24-14-9-13-15(32-3)10-23(29,17(14)18(13)28)25(30,21(24)26)20(33-4)19(22)24/h13-21,27-30H,5-12H2,1-4H3",CCCN1CC2(COC)CCC(O)C34C5CC6C(OC)CC(O)(C5C6O)C(O)(C(OC)C23)C14,C25H41NO7,pos_1_1proton1ammonium,467.288302652,YWHBAYCZDOMFAJ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium macrocentrum,259368.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium macrocentrum'],6,0,6.0 111067,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,PABNTGUVPKRNRM-KCOJYJFYSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(33-5,17(14)18(13)32-4)25(29,21(24)26)20(28)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18-,19+,20+,21-,22-,23-,24-,25+/m0/s1",CCN1C[C@]2(COC)CC[C@@H](O)[C@@]34[C@@H]2[C@@H](O)[C@@](O)([C@@H]13)[C@]1(OC)C[C@@H](OC)[C@@H]2C[C@H]4[C@H]1[C@H]2OC,C25H41NO7,pos_1_1proton1ammonium,467.288302652,PABNTGUVPKRNRM,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium consolida,756488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida ajacis'],6,0,6.0 111068,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,PABNTGUVPKRNRM-JOPURWDVSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(33-5,17(14)18(13)32-4)25(29,21(24)26)20(28)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20-,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](OC)(C[C@@H]6OC)[C@@](O)([C@H](O)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.288302652,PABNTGUVPKRNRM,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Consolida regalis,733334.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida regalis'],6,0,6.0 111069,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,PABNTGUVPKRNRM-JOPURWDVSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(33-5,17(14)18(13)32-4)25(29,21(24)26)20(28)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20-,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](OC)(C[C@@H]6OC)[C@@](O)([C@H](O)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.288302652,PABNTGUVPKRNRM,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium oliverianum,733345.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida oliveriana'],6,0,6.0 111070,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,DQEABNIOXCZHOW-UNPHAQEPSA-N,"InChI=1S/C25H41NO7/c1-6-26-10-23(11-30-2)15(27)8-16(32-4)25-13-7-12-14(31-3)9-24(29,17(13)19(12)28)18(22(25)26)20(33-5)21(23)25/h12-22,27-29H,6-11H2,1-5H3/t12-,13-,14+,15-,16+,17-,18+,19+,20-,21-,22-,23+,24-,25+/m1/s1",CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H]([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.288302652,DQEABNIOXCZHOW,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium crispulum,309502.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium crispulum'],6,0,6.0 111071,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,DQEABNIOXCZHOW-UNPHAQEPSA-N,"InChI=1S/C25H41NO7/c1-6-26-10-23(11-30-2)15(27)8-16(32-4)25-13-7-12-14(31-3)9-24(29,17(13)19(12)28)18(22(25)26)20(33-5)21(23)25/h12-22,27-29H,6-11H2,1-5H3/t12-,13-,14+,15-,16+,17-,18+,19+,20-,21-,22-,23+,24-,25+/m1/s1",CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H]([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.288302652,DQEABNIOXCZHOW,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum lethale,6131432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum lethale'],6,0,6.0 111072,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,DQEABNIOXCZHOW-UNPHAQEPSA-N,"InChI=1S/C25H41NO7/c1-6-26-10-23(11-30-2)15(27)8-16(32-4)25-13-7-12-14(31-3)9-24(29,17(13)19(12)28)18(22(25)26)20(33-5)21(23)25/h12-22,27-29H,6-11H2,1-5H3/t12-,13-,14+,15-,16+,17-,18+,19+,20-,21-,22-,23+,24-,25+/m1/s1",CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H]([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.288302652,DQEABNIOXCZHOW,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum falconeri,6131385.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum falconeri'],6,0,6.0 111073,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,ZUMVRGDGUZROMJ-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(33-5,17(14)18(13)28)25(29,21(24)26)20(32-4)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](OC)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,ZUMVRGDGUZROMJ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Consolida pubescens,733338.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida pubescens'],6,0,6.0 111074,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,ZUMVRGDGUZROMJ-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(33-5,17(14)18(13)28)25(29,21(24)26)20(32-4)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](OC)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,ZUMVRGDGUZROMJ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium pubescens,756488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida ajacis'],6,0,6.0 111075,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,ZUMVRGDGUZROMJ-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(33-5,17(14)18(13)28)25(29,21(24)26)20(32-4)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](OC)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,ZUMVRGDGUZROMJ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium orientale,701719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida orientalis'],6,0,6.0 111076,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,ZUMVRGDGUZROMJ-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(33-5,17(14)18(13)28)25(29,21(24)26)20(32-4)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](OC)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,ZUMVRGDGUZROMJ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium linearilobum,7591246.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium linearilobum'],6,0,6.0 111077,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,ZUMVRGDGUZROMJ-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(33-5,17(14)18(13)28)25(29,21(24)26)20(32-4)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](OC)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,ZUMVRGDGUZROMJ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium tatsienense,176347.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium tatsienense'],6,0,6.0 111078,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,MODXUQZMEBLSJD-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(32-4)24-14-9-13-15(31-3)10-23(28,17(14)18(13)27)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,MODXUQZMEBLSJD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium umbrosum,5737858.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium umbrosum'],6,0,6.0 111079,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,ZUMVRGDGUZROMJ-YVNSXEBHSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(33-5,17(14)18(13)28)25(29,21(24)26)20(32-4)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16-,17-,18-,19+,20+,21-,22-,23-,24-,25+/m0/s1",CCN1C[C@]2(COC)CC[C@H](O)[C@@]34[C@@H]2[C@@H](OC)[C@@](O)([C@@H]13)[C@]1(OC)C[C@@H](OC)[C@@H]2C[C@H]4[C@H]1[C@H]2O,C25H41NO7,pos_1_1proton1ammonium,467.288302652,ZUMVRGDGUZROMJ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium grandiflorum,1004833.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium grandiflorum'],6,0,6.0 111080,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,ZUMVRGDGUZROMJ-UHFFFAOYSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(33-5,17(14)18(13)28)25(29,21(24)26)20(32-4)19(22)24/h13-21,27-29H,6-12H2,1-5H3",CCN1CC2(COC)CCC(O)C34C5CC6C(OC)CC(OC)(C5C6O)C(O)(C(OC)C23)C14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,ZUMVRGDGUZROMJ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium stapeliosum,6131808.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium stapeliosum'],6,0,6.0 111081,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,JVBLTQQBEQQLEV-QSWCHXNUSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15-,16-,17+,18-,19-,20-,21?,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@@H](O)[C@]34C1[C@](O)([C@H](OC)[C@H]23)[C@@]1(O)C[C@@H](OC)[C@H]2C[C@@H]4[C@H]1[C@@H]2OC,C25H41NO7,pos_1_1proton1ammonium,467.288302652,JVBLTQQBEQQLEV,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum leucostomum,723178.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum leucostomum'],6,0,6.0 111082,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,JVBLTQQBEQQLEV-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,JVBLTQQBEQQLEV,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium uralense,6131833.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium uralense'],6,0,6.0 111083,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,JVBLTQQBEQQLEV-QSWCHXNUSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15-,16-,17+,18-,19-,20-,21?,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@@H](O)[C@]34C1[C@](O)([C@H](OC)[C@H]23)[C@@]1(O)C[C@@H](OC)[C@H]2C[C@@H]4[C@H]1[C@@H]2OC,C25H41NO7,pos_1_1proton1ammonium,467.288302652,JVBLTQQBEQQLEV,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium occidentale,3944974.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium occidentale'],6,0,6.0 111084,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,JVBLTQQBEQQLEV-QSWCHXNUSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15-,16-,17+,18-,19-,20-,21?,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@@H](O)[C@]34C1[C@](O)([C@H](OC)[C@H]23)[C@@]1(O)C[C@@H](OC)[C@H]2C[C@@H]4[C@H]1[C@@H]2OC,C25H41NO7,pos_1_1proton1ammonium,467.288302652,JVBLTQQBEQQLEV,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium barbeyi,591161.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium barbeyi'],6,0,6.0 111085,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,JVBLTQQBEQQLEV-QSWCHXNUSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15-,16-,17+,18-,19-,20-,21?,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@@H](O)[C@]34C1[C@](O)([C@H](OC)[C@H]23)[C@@]1(O)C[C@@H](OC)[C@H]2C[C@@H]4[C@H]1[C@@H]2OC,C25H41NO7,pos_1_1proton1ammonium,467.288302652,JVBLTQQBEQQLEV,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium biternatum,884042.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium biternatum'],6,0,6.0 111086,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,JVBLTQQBEQQLEV-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,JVBLTQQBEQQLEV,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum lycoctonum,14055.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum lycoctonum'],6,0,6.0 111087,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,JVBLTQQBEQQLEV-QSWCHXNUSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15-,16-,17+,18-,19-,20-,21?,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@@H](O)[C@]34C1[C@](O)([C@H](OC)[C@H]23)[C@@]1(O)C[C@@H](OC)[C@H]2C[C@@H]4[C@H]1[C@@H]2OC,C25H41NO7,pos_1_1proton1ammonium,467.288302652,JVBLTQQBEQQLEV,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium yunnanense,6131857.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium yunnanense'],6,0,6.0 111088,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,JVBLTQQBEQQLEV-QSWCHXNUSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15-,16-,17+,18-,19-,20-,21?,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@@H](O)[C@]34C1[C@](O)([C@H](OC)[C@H]23)[C@@]1(O)C[C@@H](OC)[C@H]2C[C@@H]4[C@H]1[C@@H]2OC,C25H41NO7,pos_1_1proton1ammonium,467.288302652,JVBLTQQBEQQLEV,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum vulparia,5511358.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum lycoctonum'],6,0,6.0 111089,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,JVBLTQQBEQQLEV-QSWCHXNUSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15-,16-,17+,18-,19-,20-,21?,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@@H](O)[C@]34C1[C@](O)([C@H](OC)[C@H]23)[C@@]1(O)C[C@@H](OC)[C@H]2C[C@@H]4[C@H]1[C@@H]2OC,C25H41NO7,pos_1_1proton1ammonium,467.288302652,JVBLTQQBEQQLEV,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum barbatum,625500.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum barbatum'],6,0,6.0 111090,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,JVBLTQQBEQQLEV-YAEAOFIFSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21?,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@H](O)[C@]34C1[C@](O)([C@@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2OC,C25H41NO7,pos_1_1proton1ammonium,467.288302652,JVBLTQQBEQQLEV,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium ambiguum,756488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida ajacis'],6,0,6.0 111091,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,JVBLTQQBEQQLEV-QSWCHXNUSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15-,16-,17+,18-,19-,20-,21?,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@@H](O)[C@]34C1[C@](O)([C@H](OC)[C@H]23)[C@@]1(O)C[C@@H](OC)[C@H]2C[C@@H]4[C@H]1[C@@H]2OC,C25H41NO7,pos_1_1proton1ammonium,467.288302652,JVBLTQQBEQQLEV,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Consolida ambigua,693548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida ambigua'],6,0,6.0 111092,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,JVBLTQQBEQQLEV-QSWCHXNUSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15-,16-,17+,18-,19-,20-,21?,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@@H](O)[C@]34C1[C@](O)([C@H](OC)[C@H]23)[C@@]1(O)C[C@@H](OC)[C@H]2C[C@@H]4[C@H]1[C@@H]2OC,C25H41NO7,pos_1_1proton1ammonium,467.288302652,JVBLTQQBEQQLEV,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium potaninii,699542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium potaninii'],6,0,6.0 111093,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,JVBLTQQBEQQLEV-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,JVBLTQQBEQQLEV,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum variegatum,586783.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum variegatum'],6,0,6.0 111094,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,JVBLTQQBEQQLEV-YAEAOFIFSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21?,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@H](O)[C@]34C1[C@](O)([C@@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2OC,C25H41NO7,pos_1_1proton1ammonium,467.288302652,JVBLTQQBEQQLEV,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Consolida pubescens,733338.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida pubescens'],6,0,6.0 111095,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,JVBLTQQBEQQLEV-QSWCHXNUSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15-,16-,17+,18-,19-,20-,21?,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@@H](O)[C@]34C1[C@](O)([C@H](OC)[C@H]23)[C@@]1(O)C[C@@H](OC)[C@H]2C[C@@H]4[C@H]1[C@@H]2OC,C25H41NO7,pos_1_1proton1ammonium,467.288302652,JVBLTQQBEQQLEV,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum napellus,586780.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum napellus'],6,0,6.0 111096,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,JVBLTQQBEQQLEV-QSWCHXNUSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15-,16-,17+,18-,19-,20-,21?,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@@H](O)[C@]34C1[C@](O)([C@H](OC)[C@H]23)[C@@]1(O)C[C@@H](OC)[C@H]2C[C@@H]4[C@H]1[C@@H]2OC,C25H41NO7,pos_1_1proton1ammonium,467.288302652,JVBLTQQBEQQLEV,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum monticola,625485.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum monticola'],6,0,6.0 111097,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,JVBLTQQBEQQLEV-UHFFFAOYSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3",CCN1CC2(COC)CCC(O)C34C5CC6C(OC)CC(O)(C5C6OC)C(O)(C(OC)C23)C14,C25H41NO7,pos_1_1proton1ammonium,467.288302652,JVBLTQQBEQQLEV,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum franchetii,1088654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum franchetii'],6,0,6.0 111098,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,JVBLTQQBEQQLEV-UHFFFAOYSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3",CCN1CC2(COC)CCC(O)C34C5CC6C(OC)CC(O)(C5C6OC)C(O)(C(OC)C23)C14,C25H41NO7,pos_1_1proton1ammonium,467.288302652,JVBLTQQBEQQLEV,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum longtouense,488241.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum longtouense'],6,0,6.0 111099,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,ZUMVRGDGUZROMJ-UHFFFAOYSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(33-5,17(14)18(13)28)25(29,21(24)26)20(32-4)19(22)24/h13-21,27-29H,6-12H2,1-5H3",CCN1CC2(COC)CCC(O)C34C5CC6C(OC)CC(OC)(C5C6O)C(O)(C(OC)C23)C14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,ZUMVRGDGUZROMJ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium crispulum,309502.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium crispulum'],6,0,6.0 111100,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,ZUMVRGDGUZROMJ-UHFFFAOYSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(33-5,17(14)18(13)28)25(29,21(24)26)20(32-4)19(22)24/h13-21,27-29H,6-12H2,1-5H3",CCN1CC2(COC)CCC(O)C34C5CC6C(OC)CC(OC)(C5C6O)C(O)(C(OC)C23)C14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,ZUMVRGDGUZROMJ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Consolida orientalis,701719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida orientalis'],6,0,6.0 111101,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,ZUMVRGDGUZROMJ-UHFFFAOYSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(33-5,17(14)18(13)28)25(29,21(24)26)20(32-4)19(22)24/h13-21,27-29H,6-12H2,1-5H3",CCN1CC2(COC)CCC(O)C34C5CC6C(OC)CC(OC)(C5C6O)C(O)(C(OC)C23)C14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,ZUMVRGDGUZROMJ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium scabriflorum,6131796.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium scabriflorum'],6,0,6.0 111102,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,ZUMVRGDGUZROMJ-QNITWFEASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(33-5,17(14)18(13)28)25(29,21(24)26)20(32-4)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25?/m1/s1",CCN1C[C@]2(COC)CC[C@H](O)[C@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](OC)(C[C@@H]6OC)C(O)([C@@H]13)[C@@H](OC)[C@H]24,C25H41NO7,pos_1_1proton1ammonium,467.288302652,ZUMVRGDGUZROMJ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium macrocentrum,259368.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium macrocentrum'],6,0,6.0 111103,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,ZUMVRGDGUZROMJ-QNITWFEASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(33-5,17(14)18(13)28)25(29,21(24)26)20(32-4)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25?/m1/s1",CCN1C[C@]2(COC)CC[C@H](O)[C@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](OC)(C[C@@H]6OC)C(O)([C@@H]13)[C@@H](OC)[C@H]24,C25H41NO7,pos_1_1proton1ammonium,467.288302652,ZUMVRGDGUZROMJ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium nuttallianum,643524.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium nuttallianum'],6,0,6.0 111104,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,ZUMVRGDGUZROMJ-QNITWFEASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(33-5,17(14)18(13)28)25(29,21(24)26)20(32-4)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25?/m1/s1",CCN1C[C@]2(COC)CC[C@H](O)[C@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](OC)(C[C@@H]6OC)C(O)([C@@H]13)[C@@H](OC)[C@H]24,C25H41NO7,pos_1_1proton1ammonium,467.288302652,ZUMVRGDGUZROMJ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium menziesii,643534.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium menziesii'],6,0,6.0 111105,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,ZUMVRGDGUZROMJ-QNITWFEASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(33-5,17(14)18(13)28)25(29,21(24)26)20(32-4)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25?/m1/s1",CCN1C[C@]2(COC)CC[C@H](O)[C@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](OC)(C[C@@H]6OC)C(O)([C@@H]13)[C@@H](OC)[C@H]24,C25H41NO7,pos_1_1proton1ammonium,467.288302652,ZUMVRGDGUZROMJ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium leroyi,259373.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium leroyi'],6,0,6.0 111106,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,ZUMVRGDGUZROMJ-QNITWFEASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(33-5,17(14)18(13)28)25(29,21(24)26)20(32-4)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25?/m1/s1",CCN1C[C@]2(COC)CC[C@H](O)[C@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](OC)(C[C@@H]6OC)C(O)([C@@H]13)[C@@H](OC)[C@H]24,C25H41NO7,pos_1_1proton1ammonium,467.288302652,ZUMVRGDGUZROMJ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium potaninii,699542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium potaninii'],6,0,6.0 111107,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,ZUMVRGDGUZROMJ-QNITWFEASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(33-5,17(14)18(13)28)25(29,21(24)26)20(32-4)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25?/m1/s1",CCN1C[C@]2(COC)CC[C@H](O)[C@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](OC)(C[C@@H]6OC)C(O)([C@@H]13)[C@@H](OC)[C@H]24,C25H41NO7,pos_1_1proton1ammonium,467.288302652,ZUMVRGDGUZROMJ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium ajacis,756488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida ajacis'],6,0,6.0 111108,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,ZUMVRGDGUZROMJ-QNITWFEASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(33-5,17(14)18(13)28)25(29,21(24)26)20(32-4)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25?/m1/s1",CCN1C[C@]2(COC)CC[C@H](O)[C@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](OC)(C[C@@H]6OC)C(O)([C@@H]13)[C@@H](OC)[C@H]24,C25H41NO7,pos_1_1proton1ammonium,467.288302652,ZUMVRGDGUZROMJ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Consolida ajacis,756488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida ajacis'],6,0,6.0 111109,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,PJAKSXLGPWJDTL-BVVKAGQZSA-N,"InChI=1S/C25H41NO7/c1-7-26-12-21(2)9-8-15(31-4)24-18(21)19(33-6)25(29,20(24)26)23(28)11-14(30-3)13-10-22(24,27)17(23)16(13)32-5/h13-20,27-29H,7-12H2,1-6H3/t13-,14+,15+,16+,17+,18-,19+,20+,21+,22+,23-,24-,25+/m1/s1",CCN1C[C@]2(C)CC[C@H](OC)[C@@]34[C@@H]2[C@H](OC)[C@](O)([C@@H]13)[C@@]1(O)C[C@H](OC)[C@H]2C[C@]4(O)[C@@H]1[C@H]2OC,C25H41NO7,pos_1_1proton1ammonium,467.288302652,PJAKSXLGPWJDTL,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium ternatum,6131820.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium ternatum'],6,0,6.0 111110,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,JVBLTQQBEQQLEV-UHFFFAOYSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3",CCN1CC2(COC)CCC(O)C34C5CC6C(OC)CC(O)(C5C6OC)C(O)(C(OC)C23)C14,C25H41NO7,pos_1_1proton1ammonium,467.288302652,JVBLTQQBEQQLEV,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium consolida,756488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida ajacis'],6,0,6.0 111111,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,JVBLTQQBEQQLEV-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,JVBLTQQBEQQLEV,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Consolida regalis,733334.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida regalis'],6,0,6.0 111112,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,JVBLTQQBEQQLEV-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,JVBLTQQBEQQLEV,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium tatsienense,176347.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium tatsienense'],6,0,6.0 111113,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,JVBLTQQBEQQLEV-UHFFFAOYSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3",CCN1CC2(COC)CCC(O)C34C5CC6C(OC)CC(O)(C5C6OC)C(O)(C(OC)C23)C14,C25H41NO7,pos_1_1proton1ammonium,467.288302652,JVBLTQQBEQQLEV,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum georgei,1061369.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum georgei'],6,0,6.0 111114,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,ZUMVRGDGUZROMJ-UHFFFAOYSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(33-5,17(14)18(13)28)25(29,21(24)26)20(32-4)19(22)24/h13-21,27-29H,6-12H2,1-5H3",CCN1CC2(COC)CCC(O)C34C5CC6C(OC)CC(OC)(C5C6O)C(O)(C(OC)C23)C14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,ZUMVRGDGUZROMJ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium carduchorum,884028.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium carduchorum'],6,0,6.0 111115,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,MODXUQZMEBLSJD-QLPMSXOHSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(32-4)24-14-9-13-15(31-3)10-23(28,17(14)18(13)27)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16-,17-,18-,19-,20-,21+,22+,23-,24+,25-/m0/s1",CCN1C[C@@]2(COC)CC[C@H](OC)[C@@]34[C@@H]1[C@@](O)([C@@H](OC)[C@@H]23)[C@]1(O)C[C@@H](OC)[C@@H]2C[C@H]4[C@H]1[C@H]2O,C25H41NO7,pos_1_1proton1ammonium,467.288302652,MODXUQZMEBLSJD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium glaucum,931149.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium glaucum'],6,0,6.0 111116,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,MODXUQZMEBLSJD-UHFFFAOYSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(32-4)24-14-9-13-15(31-3)10-23(28,17(14)18(13)27)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3",CCN1CC2(COC)CCC(OC)C34C5CC6C(OC)CC(O)(C5C6O)C(O)(C(OC)C23)C14,C25H41NO7,pos_1_1proton1ammonium,467.288302652,MODXUQZMEBLSJD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum delphiniifolium,506023.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum delphiniifolium'],6,0,6.0 111117,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,MODXUQZMEBLSJD-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(32-4)24-14-9-13-15(31-3)10-23(28,17(14)18(13)27)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,MODXUQZMEBLSJD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum orientale,586781.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum orientale'],6,0,6.0 111118,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-VCDUNCIKSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25+/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.288302652,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium consolida,756488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida ajacis'],6,0,6.0 111119,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-VCDUNCIKSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25+/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.288302652,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Consolida regalis,733334.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida regalis'],6,0,6.0 111120,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium umbrosum,5737858.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium umbrosum'],6,0,6.0 111121,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-UHFFFAOYSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3",CCN1CC2(CO)CCC(OC)C34C5CC6C(OC)CC(O)(C5C6OC)C(O)(C(OC)C23)C14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum brachypodum,50012.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum brachypodum'],6,0,6.0 111122,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-UHFFFAOYSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3",CCN1CC2(CO)CCC(OC)C34C5CC6C(OC)CC(O)(C5C6OC)C(O)(C(OC)C23)C14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum carmichaelii,549536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum carmichaelii'],6,0,6.0 111123,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-UHFFFAOYSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3",CCN1CC2(CO)CCC(OC)C34C5CC6C(OC)CC(O)(C5C6OC)C(O)(C(OC)C23)C14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum japonicum,5511352.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum japonicum'],6,0,6.0 111124,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-WIRSCEAYSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16-,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(CO)CC[C@@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium glaucum,931149.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium glaucum'],6,0,6.0 111125,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-UHFFFAOYSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3",CCN1CC2(CO)CCC(OC)C34C5CC6C(OC)CC(O)(C5C6OC)C(O)(C(OC)C23)C14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum finetianum,556431.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum finetianum'],6,0,6.0 111126,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium scabriflorum,6131796.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium scabriflorum'],6,0,6.0 111127,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium tatsienense,176347.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium tatsienense'],6,0,6.0 111128,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium hohenackeri,591154.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitella'],['Aconitella hohenackeri'],6,0,6.0 111129,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-VCDUNCIKSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25+/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.288302652,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum lycoctonum,14055.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum lycoctonum'],6,0,6.0 111130,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-VCDUNCIKSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25+/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.288302652,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum septentrionale,586782.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum septentrionale'],6,0,6.0 111131,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium delavayi,70138.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium delavayi'],6,0,6.0 111132,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium nudicaule,643530.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium nudicaule'],6,0,6.0 111133,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium fissum,833960.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium fissum'],6,0,6.0 111134,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium schmalhausenii,7591251.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium schmalhausenii'],6,0,6.0 111135,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium yunnanense,6131857.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium yunnanense'],6,0,6.0 111136,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-UHFFFAOYSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3",CCN1CC2(CO)CCC(OC)C34C5CC6C(OC)CC(O)(C5C6OC)C(O)(C(OC)C23)C14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium linearilobum,7591246.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium linearilobum'],6,0,6.0 111137,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-UHFFFAOYSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3",CCN1CC2(CO)CCC(OC)C34C5CC6C(OC)CC(O)(C5C6OC)C(O)(C(OC)C23)C14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium crispulum,309502.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium crispulum'],6,0,6.0 111138,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium dictyocarpum,6131639.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium dictyocarpum'],6,0,6.0 111139,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-VCDUNCIKSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25+/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.288302652,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Consolida orientalis,701719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida orientalis'],6,0,6.0 111140,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-VCDUNCIKSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25+/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.288302652,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Consolida ajacis,756488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida ajacis'],6,0,6.0 111141,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-VCDUNCIKSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25+/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.288302652,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium ajacis,756488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida ajacis'],6,0,6.0 111142,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-VCDUNCIKSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25+/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.288302652,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium orientale,701719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida orientalis'],6,0,6.0 111143,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-WIXPRNEISA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14+,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]2[C@H](OC)[C@@](O)([C@@H]13)[C@@]1(O)C[C@H](OC)[C@H]2C[C@H]4[C@@H]1[C@H]2OC,C25H41NO7,pos_1_1proton1ammonium,467.288302652,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium stenocarpum,784182.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitella'],['Aconitella stenocarpa'],6,0,6.0 111144,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-URABJAIZSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14?,15+,16+,17?,18?,19?,20?,21?,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34C5C[C@H]6C(OC)C5[C@](O)(C[C@@H]6OC)[C@@](O)(C(OC)C23)C14,C25H41NO7,pos_1_1proton1ammonium,467.288302652,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium oliverianum,733345.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida oliveriana'],6,0,6.0 111145,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-VCDUNCIKSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25+/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.288302652,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium armeniacum,643530.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium nudicaule'],6,0,6.0 111146,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-WQDZHITMSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22-,23-,24+,25+/m1/s1",CCN1C[C@@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum orientale,586781.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum orientale'],6,0,6.0 111147,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium pentagynum,782529.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium pentagynum'],6,0,6.0 111148,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-VCDUNCIKSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25+/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.288302652,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium nuttallianum,643524.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium nuttallianum'],6,0,6.0 111149,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-VCDUNCIKSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25+/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.288302652,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium cashmerianum,884026.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium cashmerianum'],6,0,6.0 111150,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-VCDUNCIKSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25+/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.288302652,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum racemulosum,892121.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum racemulosum'],6,0,6.0 111151,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium retropilosum,5737876.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium retropilosum'],6,0,6.0 111152,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-URABJAIZSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14?,15+,16+,17?,18?,19?,20?,21?,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34C5C[C@H]6C(OC)C5[C@](O)(C[C@@H]6OC)[C@@](O)(C(OC)C23)C14,C25H41NO7,pos_1_1proton1ammonium,467.288302652,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium albiflorum,6131751.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium albiflorum'],6,0,6.0 111153,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-VCDUNCIKSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25+/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.288302652,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium glaucescens,70143.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium glaucescens'],6,0,6.0 111154,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-VCDUNCIKSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25+/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.288302652,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium semibarbatum,224726.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium semibarbatum'],6,0,6.0 111155,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-URABJAIZSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14?,15+,16+,17?,18?,19?,20?,21?,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34C5C[C@H]6C(OC)C5[C@](O)(C[C@@H]6OC)[C@@](O)(C(OC)C23)C14,C25H41NO7,pos_1_1proton1ammonium,467.288302652,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium potaninii,699542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium potaninii'],6,0,6.0 111156,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-UHFFFAOYSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3",CCN1CC2(CO)CCC(OC)C34C5CC6C(OC)CC(O)(C5C6OC)C(O)(C(OC)C23)C14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium majus,6131723.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium majus'],6,0,6.0 111157,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-URABJAIZSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14?,15+,16+,17?,18?,19?,20?,21?,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34C5C[C@H]6C(OC)C5[C@](O)(C[C@@H]6OC)[C@@](O)(C(OC)C23)C14,C25H41NO7,pos_1_1proton1ammonium,467.288302652,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium albiflorum,6131751.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium albiflorum'],6,0,6.0 111158,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-UHFFFAOYSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3",CCN1CC2(CO)CCC(OC)C34C5CC6C(OC)CC(O)(C5C6OC)C(O)(C(OC)C23)C14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium linearilobum,7591246.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium linearilobum'],6,0,6.0 111159,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-UHFFFAOYSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3",CCN1CC2(CO)CCC(OC)C34C5CC6C(OC)CC(O)(C5C6OC)C(O)(C(OC)C23)C14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium crispulum,309502.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium crispulum'],6,0,6.0 111160,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium dictyocarpum,6131639.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium dictyocarpum'],6,0,6.0 111161,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium nordhagenii,5737855.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium nordhagenii'],6,0,6.0 111162,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-VCDUNCIKSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25+/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.288302652,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Consolida orientalis,701719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida orientalis'],6,0,6.0 111163,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-VCDUNCIKSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25+/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.288302652,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium ajacis,756488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida ajacis'],6,0,6.0 111164,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-VCDUNCIKSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25+/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.288302652,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium orientale,701719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida orientalis'],6,0,6.0 111165,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-WIXPRNEISA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14+,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]2[C@H](OC)[C@@](O)([C@@H]13)[C@@]1(O)C[C@H](OC)[C@H]2C[C@H]4[C@@H]1[C@H]2OC,C25H41NO7,pos_1_1proton1ammonium,467.288302652,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium stenocarpum,784182.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitella'],['Aconitella stenocarpa'],6,0,6.0 111166,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-URABJAIZSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14?,15+,16+,17?,18?,19?,20?,21?,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34C5C[C@H]6C(OC)C5[C@](O)(C[C@@H]6OC)[C@@](O)(C(OC)C23)C14,C25H41NO7,pos_1_1proton1ammonium,467.288302652,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium oliverianum,733345.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida oliveriana'],6,0,6.0 111167,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-VCDUNCIKSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25+/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.288302652,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium armeniacum,643530.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium nudicaule'],6,0,6.0 111168,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-WQDZHITMSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22-,23-,24+,25+/m1/s1",CCN1C[C@@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum orientale,586781.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum orientale'],6,0,6.0 111169,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-VCDUNCIKSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25+/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.288302652,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Consolida ajacis,756488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida ajacis'],6,0,6.0 111170,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-URABJAIZSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14?,15+,16+,17?,18?,19?,20?,21?,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34C5C[C@H]6C(OC)C5[C@](O)(C[C@@H]6OC)[C@@](O)(C(OC)C23)C14,C25H41NO7,pos_1_1proton1ammonium,467.288302652,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium thamarae,6131823.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium thamarae'],6,0,6.0 111171,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-VCDUNCIKSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25+/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.288302652,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium caeruleum,884038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium caeruleum'],6,0,6.0 111172,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-VCDUNCIKSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25+/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.288302652,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Consolida ambigua,693548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida ambigua'],6,0,6.0 111173,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-VCDUNCIKSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25+/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.288302652,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium semibarbartum,3944980.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium semibarbartum'],6,0,6.0 111174,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-VCDUNCIKSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25+/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.288302652,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium elatum,518362.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium elatum'],6,0,6.0 111175,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-UHFFFAOYSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3",CCN1CC2(CO)CCC(OC)C34C5CC6C(OC)CC(O)(C5C6OC)C(O)(C(OC)C23)C14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum cochleare,7591220.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum cochleare'],6,0,6.0 111176,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-VCDUNCIKSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25+/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.288302652,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium corymbosum,5737883.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium iliense'],6,0,6.0 111177,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-VCDUNCIKSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25+/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.288302652,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium iliense,5737883.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium iliense'],6,0,6.0 111178,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-VCDUNCIKSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25+/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.288302652,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum barbatum,625500.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum barbatum'],6,0,6.0 111179,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-VCDUNCIKSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25+/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.288302652,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium andersonii,591156.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium andersonii'],6,0,6.0 111180,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-VCDUNCIKSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25+/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.288302652,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium occidentale,3944974.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium occidentale'],6,0,6.0 111181,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-VCDUNCIKSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25+/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.288302652,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium barbeyi,591161.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium barbeyi'],6,0,6.0 111182,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-VCDUNCIKSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25+/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.288302652,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium brunonianum,259375.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium minjanense'],6,0,6.0 111183,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium formosum,3944990.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium formosum'],6,0,6.0 111184,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-VCDUNCIKSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25+/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.288302652,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum vulparia,5511358.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum lycoctonum'],6,0,6.0 111185,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-VCDUNCIKSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25+/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.288302652,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium ambiguum,756488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida ajacis'],6,0,6.0 111186,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-VCDUNCIKSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25+/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.288302652,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Consolida pubescens,733338.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida pubescens'],6,0,6.0 111187,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-VCDUNCIKSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25+/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.288302652,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium pubescens,756488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida ajacis'],6,0,6.0 111188,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-VCDUNCIKSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25+/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.288302652,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium zalil,224726.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium semibarbatum'],6,0,6.0 111189,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YPJNTJHXPKFINJ-QRMYGITRSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)16(27)7-8-23-14-9-13-15(31-3)10-24(28,17(14)18(13)32-4)25(29,21(23)26)20(33-5)19(22)23/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16-,17-,18+,19-,20+,21+,22+,23-,24-,25-/m1/s1",CCN1C[C@]2(COC)[C@H](O)CC[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,YPJNTJHXPKFINJ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium biternatum,884042.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium biternatum'],6,0,6.0 111190,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-UHFFFAOYSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3",CCN1CC2(CO)CCC(OC)C34C5CC6C(OC)CC(O)(C5C6OC)C(O)(C(OC)C23)C14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium majus,6131723.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium majus'],6,0,6.0 111191,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium nordhagenii,5737855.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium nordhagenii'],6,0,6.0 111192,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,MODXUQZMEBLSJD-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(32-4)24-14-9-13-15(31-3)10-23(28,17(14)18(13)27)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,MODXUQZMEBLSJD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Consolida ambigua,693548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida ambigua'],6,0,6.0 111193,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,MODXUQZMEBLSJD-UHFFFAOYSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(32-4)24-14-9-13-15(31-3)10-23(28,17(14)18(13)27)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3",CCN1CC2(COC)CCC(OC)C34C5CC6C(OC)CC(O)(C5C6O)C(O)(C(OC)C23)C14,C25H41NO7,pos_1_1proton1ammonium,467.288302652,MODXUQZMEBLSJD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium majus,6131723.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium majus'],6,0,6.0 111194,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,MODXUQZMEBLSJD-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(32-4)24-14-9-13-15(31-3)10-23(28,17(14)18(13)27)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,MODXUQZMEBLSJD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Consolida orientalis,701719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida orientalis'],6,0,6.0 111195,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,MODXUQZMEBLSJD-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(32-4)24-14-9-13-15(31-3)10-23(28,17(14)18(13)27)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,MODXUQZMEBLSJD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium oliverianum,733345.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida oliveriana'],6,0,6.0 111196,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,MODXUQZMEBLSJD-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(32-4)24-14-9-13-15(31-3)10-23(28,17(14)18(13)27)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,MODXUQZMEBLSJD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Consolida ajacis,756488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida ajacis'],6,0,6.0 111197,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,MODXUQZMEBLSJD-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(32-4)24-14-9-13-15(31-3)10-23(28,17(14)18(13)27)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,MODXUQZMEBLSJD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium ajacis,756488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida ajacis'],6,0,6.0 111198,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,MODXUQZMEBLSJD-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(32-4)24-14-9-13-15(31-3)10-23(28,17(14)18(13)27)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,MODXUQZMEBLSJD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium leroyi,259373.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium leroyi'],6,0,6.0 111199,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,MODXUQZMEBLSJD-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(32-4)24-14-9-13-15(31-3)10-23(28,17(14)18(13)27)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,MODXUQZMEBLSJD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium omeiense,699546.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium omeiense'],6,0,6.0 111200,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-VCDUNCIKSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25+/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.288302652,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium nuttallianum,643524.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium nuttallianum'],6,0,6.0 111201,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-VCDUNCIKSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25+/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.288302652,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium cashmerianum,884026.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium cashmerianum'],6,0,6.0 111202,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-VCDUNCIKSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25+/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.288302652,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum racemulosum,892121.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum racemulosum'],6,0,6.0 111203,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium yunnanense,6131857.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium yunnanense'],6,0,6.0 111204,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium schmalhausenii,7591251.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium schmalhausenii'],6,0,6.0 111205,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium fissum,833960.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium fissum'],6,0,6.0 111206,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,MODXUQZMEBLSJD-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(32-4)24-14-9-13-15(31-3)10-23(28,17(14)18(13)27)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,MODXUQZMEBLSJD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium pentagynum,782529.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium pentagynum'],6,0,6.0 111207,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,MODXUQZMEBLSJD-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(32-4)24-14-9-13-15(31-3)10-23(28,17(14)18(13)27)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,MODXUQZMEBLSJD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium occidentale,3944974.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium occidentale'],6,0,6.0 111208,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,MODXUQZMEBLSJD-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(32-4)24-14-9-13-15(31-3)10-23(28,17(14)18(13)27)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,MODXUQZMEBLSJD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium menziesii,643534.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium menziesii'],6,0,6.0 111209,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,MODXUQZMEBLSJD-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(32-4)24-14-9-13-15(31-3)10-23(28,17(14)18(13)27)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,MODXUQZMEBLSJD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium nuttallianum,643524.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium nuttallianum'],6,0,6.0 111210,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,MODXUQZMEBLSJD-OGYQBBOKSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(32-4)24-14-9-13-15(31-3)10-23(28,17(14)18(13)27)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16-,17-,18+,19+,20+,21-,22+,23-,24-,25+/m1/s1",CCN1C[C@]2(COC)CC[C@@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@H]13)[C@@H](OC)[C@@H]24,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,MODXUQZMEBLSJD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium biternatum,884042.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium biternatum'],6,0,6.0 111211,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,MODXUQZMEBLSJD-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(32-4)24-14-9-13-15(31-3)10-23(28,17(14)18(13)27)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,MODXUQZMEBLSJD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium tatsienense,176347.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium tatsienense'],6,0,6.0 111212,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,MODXUQZMEBLSJD-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(32-4)24-14-9-13-15(31-3)10-23(28,17(14)18(13)27)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,MODXUQZMEBLSJD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium glaucescens,70143.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium glaucescens'],6,0,6.0 111213,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,MODXUQZMEBLSJD-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(32-4)24-14-9-13-15(31-3)10-23(28,17(14)18(13)27)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,MODXUQZMEBLSJD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium zalil,224726.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium semibarbatum'],6,0,6.0 111214,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,MODXUQZMEBLSJD-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(32-4)24-14-9-13-15(31-3)10-23(28,17(14)18(13)27)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,MODXUQZMEBLSJD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium semibarbartum,3944980.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium semibarbartum'],6,0,6.0 111215,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,MODXUQZMEBLSJD-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(32-4)24-14-9-13-15(31-3)10-23(28,17(14)18(13)27)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,MODXUQZMEBLSJD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium semibarbatum,224726.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium semibarbatum'],6,0,6.0 111216,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,MODXUQZMEBLSJD-UHFFFAOYSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(32-4)24-14-9-13-15(31-3)10-23(28,17(14)18(13)27)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3",CCN1CC2(COC)CCC(OC)C34C5CC6C(OC)CC(O)(C5C6O)C(O)(C(OC)C23)C14,C25H41NO7,pos_1_1proton1ammonium,467.288302652,MODXUQZMEBLSJD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium mollipilum,6131736.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium mollipilum'],6,0,6.0 111217,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,MODXUQZMEBLSJD-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(32-4)24-14-9-13-15(31-3)10-23(28,17(14)18(13)27)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,MODXUQZMEBLSJD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium crispulum,309502.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium crispulum'],6,0,6.0 111218,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,MODXUQZMEBLSJD-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(32-4)24-14-9-13-15(31-3)10-23(28,17(14)18(13)27)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,MODXUQZMEBLSJD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium linearilobum,7591246.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium linearilobum'],6,0,6.0 111219,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,MODXUQZMEBLSJD-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(32-4)24-14-9-13-15(31-3)10-23(28,17(14)18(13)27)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,MODXUQZMEBLSJD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium corymbosum,5737883.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium iliense'],6,0,6.0 111220,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,MODXUQZMEBLSJD-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(32-4)24-14-9-13-15(31-3)10-23(28,17(14)18(13)27)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,MODXUQZMEBLSJD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium iliense,5737883.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium iliense'],6,0,6.0 111221,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,MODXUQZMEBLSJD-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(32-4)24-14-9-13-15(31-3)10-23(28,17(14)18(13)27)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,MODXUQZMEBLSJD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium cyphoplectrum,309504.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium cyphoplectrum'],6,0,6.0 111222,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,MODXUQZMEBLSJD-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(32-4)24-14-9-13-15(31-3)10-23(28,17(14)18(13)27)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,MODXUQZMEBLSJD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium macrocentrum,259368.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium macrocentrum'],6,0,6.0 111223,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,MODXUQZMEBLSJD-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(32-4)24-14-9-13-15(31-3)10-23(28,17(14)18(13)27)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,MODXUQZMEBLSJD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium brunonianum,259375.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium minjanense'],6,0,6.0 111224,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,MODXUQZMEBLSJD-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(32-4)24-14-9-13-15(31-3)10-23(28,17(14)18(13)27)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,MODXUQZMEBLSJD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium barbeyi,591161.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium barbeyi'],6,0,6.0 111225,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-WIRSCEAYSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16-,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(CO)CC[C@@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium glaucum,931149.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium glaucum'],6,0,6.0 111226,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-URABJAIZSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14?,15+,16+,17?,18?,19?,20?,21?,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34C5C[C@H]6C(OC)C5[C@](O)(C[C@@H]6OC)[C@@](O)(C(OC)C23)C14,C25H41NO7,pos_1_1proton1ammonium,467.288302652,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium potaninii,699542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium potaninii'],6,0,6.0 111227,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-VCDUNCIKSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25+/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.288302652,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium consolida,756488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida ajacis'],6,0,6.0 111228,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium umbrosum,5737858.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium umbrosum'],6,0,6.0 111229,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-VCDUNCIKSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25+/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.288302652,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium iliense,5737883.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium iliense'],6,0,6.0 111230,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-VCDUNCIKSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25+/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.288302652,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum barbatum,625500.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum barbatum'],6,0,6.0 111231,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-VCDUNCIKSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25+/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.288302652,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium andersonii,591156.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium andersonii'],6,0,6.0 111232,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-VCDUNCIKSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25+/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.288302652,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium occidentale,3944974.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium occidentale'],6,0,6.0 111233,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-VCDUNCIKSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25+/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.288302652,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium barbeyi,591161.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium barbeyi'],6,0,6.0 111234,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-VCDUNCIKSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25+/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.288302652,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium brunonianum,259375.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium minjanense'],6,0,6.0 111235,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-VCDUNCIKSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25+/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.288302652,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium corymbosum,5737883.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium iliense'],6,0,6.0 111236,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium formosum,3944990.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium formosum'],6,0,6.0 111237,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-VCDUNCIKSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25+/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.288302652,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium ambiguum,756488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida ajacis'],6,0,6.0 111238,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-VCDUNCIKSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25+/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.288302652,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Consolida pubescens,733338.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida pubescens'],6,0,6.0 111239,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-VCDUNCIKSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25+/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.288302652,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium pubescens,756488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida ajacis'],6,0,6.0 111240,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-VCDUNCIKSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25+/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.288302652,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Consolida ambigua,693548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida ambigua'],6,0,6.0 111241,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-VCDUNCIKSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25+/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.288302652,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium caeruleum,884038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium caeruleum'],6,0,6.0 111242,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-URABJAIZSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14?,15+,16+,17?,18?,19?,20?,21?,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34C5C[C@H]6C(OC)C5[C@](O)(C[C@@H]6OC)[C@@](O)(C(OC)C23)C14,C25H41NO7,pos_1_1proton1ammonium,467.288302652,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium thamarae,6131823.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium thamarae'],6,0,6.0 111243,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-VCDUNCIKSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25+/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.288302652,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum vulparia,5511358.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum lycoctonum'],6,0,6.0 111244,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-UHFFFAOYSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3",CCN1CC2(CO)CCC(OC)C34C5CC6C(OC)CC(O)(C5C6OC)C(O)(C(OC)C23)C14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum cochleare,7591220.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum cochleare'],6,0,6.0 111245,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-VCDUNCIKSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25+/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.288302652,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium elatum,518362.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium elatum'],6,0,6.0 111246,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-VCDUNCIKSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25+/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.288302652,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium semibarbartum,3944980.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium semibarbartum'],6,0,6.0 111247,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-UHFFFAOYSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3",CCN1CC2(CO)CCC(OC)C34C5CC6C(OC)CC(O)(C5C6OC)C(O)(C(OC)C23)C14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum brachypodum,50012.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum brachypodum'],6,0,6.0 111248,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-UHFFFAOYSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3",CCN1CC2(CO)CCC(OC)C34C5CC6C(OC)CC(O)(C5C6OC)C(O)(C(OC)C23)C14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum carmichaelii,549536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum carmichaelii'],6,0,6.0 111249,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-UHFFFAOYSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3",CCN1CC2(CO)CCC(OC)C34C5CC6C(OC)CC(O)(C5C6OC)C(O)(C(OC)C23)C14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum japonicum,5511352.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum japonicum'],6,0,6.0 111250,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-UHFFFAOYSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3",CCN1CC2(CO)CCC(OC)C34C5CC6C(OC)CC(O)(C5C6OC)C(O)(C(OC)C23)C14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum finetianum,556431.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum finetianum'],6,0,6.0 111251,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium nudicaule,643530.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium nudicaule'],6,0,6.0 111252,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium scabriflorum,6131796.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium scabriflorum'],6,0,6.0 111253,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium tatsienense,176347.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium tatsienense'],6,0,6.0 111254,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium hohenackeri,591154.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitella'],['Aconitella hohenackeri'],6,0,6.0 111255,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-VCDUNCIKSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25+/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.288302652,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum lycoctonum,14055.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum lycoctonum'],6,0,6.0 111256,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-VCDUNCIKSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25+/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.288302652,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum septentrionale,586782.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum septentrionale'],6,0,6.0 111257,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium delavayi,70138.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium delavayi'],6,0,6.0 111258,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-DIZROUMASA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium retropilosum,5737876.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium retropilosum'],6,0,6.0 111259,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-VCDUNCIKSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25+/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.288302652,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium glaucescens,70143.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium glaucescens'],6,0,6.0 111260,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-VCDUNCIKSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25+/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.288302652,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium zalil,224726.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium semibarbatum'],6,0,6.0 111261,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-VCDUNCIKSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25+/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.288302652,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium semibarbatum,224726.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium semibarbatum'],6,0,6.0 111262,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YOTUXHIWBVZAJQ-VCDUNCIKSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25+/m1/s1",CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.288302652,YOTUXHIWBVZAJQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Consolida regalis,733334.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida regalis'],6,0,6.0 111263,4453,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,AKYZMAZEPZKCAR-WIRSCEAYSA-N,"InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(31-3)24-14-9-13-15(27)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16-,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1",CCN1C[C@]2(COC)CC[C@@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6O)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C25H41NO7,pos_1_1proton1ammonium,467.2883026519999,AKYZMAZEPZKCAR,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium biternatum,884042.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium biternatum'],6,0,6.0 110961,4449,-1,,,,0.0,MS1_match,WQSDYZZEIBAPIN-VBQORRLJSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+/t10-,12-,13+,14-,15+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O9,pos_1_1proton1acetonitrile,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis tashiroi,21287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tashiroi'],8,0,8.0 110962,4449,-1,,,,0.0,MS1_match,WQSDYZZEIBAPIN-VBQORRLJSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+/t10-,12-,13+,14-,15+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O9,pos_1_1proton1acetonitrile,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis tashiroi,21287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tashiroi'],8,0,8.0 110963,4449,-1,,,,0.0,MS1_match,WQSDYZZEIBAPIN-VBQORRLJSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+/t10-,12-,13+,14-,15+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O9,pos_1_1proton1acetonitrile,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis tashiroi,21287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tashiroi'],8,0,8.0 110964,4449,-1,,,,0.0,MS1_match,OHEYCHKLBCPRLZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(24-10)23-9-3-1-7(5-8(9)17)2-4-11(18)19/h1-5,10,12-17,20-22H,6H2,(H,18,19)/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1,C15H18O9,pos_1_1proton1acetonitrile,342.09508215599993,OHEYCHKLBCPRLZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis tashiroi,21287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tashiroi'],8,0,8.0 110965,4449,-1,,,,0.0,MS1_match,OHEYCHKLBCPRLZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(24-10)23-9-3-1-7(5-8(9)17)2-4-11(18)19/h1-5,10,12-17,20-22H,6H2,(H,18,19)/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1,C15H18O9,pos_1_1proton1acetonitrile,342.09508215599993,OHEYCHKLBCPRLZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis tashiroi,21287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tashiroi'],8,0,8.0 110966,4449,-1,,,,0.0,MS1_match,OHEYCHKLBCPRLZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(24-10)23-9-3-1-7(5-8(9)17)2-4-11(18)19/h1-5,10,12-17,20-22H,6H2,(H,18,19)/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1,C15H18O9,pos_1_1proton1acetonitrile,342.09508215599993,OHEYCHKLBCPRLZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis tashiroi,21287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tashiroi'],8,0,8.0 110967,4449,-1,,,,0.0,MS1_match,JVVFTHAOTNXPOZ-SSLCBRODSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1proton1acetonitrile,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis tashiroi,21287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tashiroi'],8,0,8.0 110968,4449,-1,,,,0.0,MS1_match,JVVFTHAOTNXPOZ-SSLCBRODSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1proton1acetonitrile,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis tashiroi,21287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tashiroi'],8,0,8.0 110969,4449,-1,,,,0.0,MS1_match,NEVMWOQJRSZYIC-UUANRDTJSA-N,"InChI=1S/C30H36O18/c1-39-13-5-11-6-14(40-2)25(13)47-29-23(35)21(33)19(31)17(45-29)10-44-28(38)12-7-15(41-3)26(16(8-12)42-4)48-30-24(36)22(34)20(32)18(46-30)9-43-27(11)37/h5-8,17-24,29-36H,9-10H2,1-4H3/t17-,18-,19-,20-,21+,22+,23-,24-,29+,30+/m1/s1",COc1cc2cc(OC)c1O[C@@H]1O[C@H](COC(=O)c3cc(OC)c(c(OC)c3)O[C@@H]3O[C@H](COC2=O)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]1O,C30H36O18,pos_2_2proton2acetonitrile,684.190164312,NEVMWOQJRSZYIC,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Clematis hexapetala,226633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis hexapetala'],8,0,8.0 110827,4446,-1,,,,0.45444843,ISDB,GMTBKCJRMNJNFL-UHFFFAOYSA-N,"InChI=1S/C17H26O2/c1-11(10-19-14(4)18)9-15-7-5-12(2)16-8-6-13(3)17(15)16/h9,12,15-16H,5-8,10H2,1-4H3",CC(=O)OCC(C)=CC1CCC(C)C2CCC(C)=C12,C17H26O2,,262.193280072,GMTBKCJRMNJNFL,Terpenoids,Sesquiterpenoids,Valerenane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,7.8177937269210815 110825,4443,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.25345242,ISDB,YJPSPAUZXUUWRY-SSBOKUKZSA-N,"InChI=1S/C29H60O3/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-23-25-28(31)29(32)26-27(30)24-22-8-6-4-2/h27-32H,3-26H2,1-2H3/t27-,28+,29-/m1/s1",CCCCCCCCCCCCCCCCCCC[C@H](O)[C@H](O)C[C@H](O)CCCCCC,C29H60O3,,456.45424578,YJPSPAUZXUUWRY,Fatty acids,Fatty acyls,Fatty alcohols,Typha angustifolia,17923.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Typhaceae'],['Unknown'],['Typha'],['Typha angustifolia'],4,1,5.513809680938721 110821,4442,-1,,,,0.0,MS1_match,BMRSEYFENKXDIS-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O8,pos_1_1proton1ammonium,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],8,0,8.0 110822,4442,-1,,,,0.0,MS1_match,BMRSEYFENKXDIS-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O8,pos_1_1proton1ammonium,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],8,0,8.0 109959,4439,-1,,,,0.5332477,ISDB,QFANMAOKAWEBQA-UHFFFAOYSA-N,"InChI=1S/C20H32O2/c1-13(2)10-19(21)22-12-14(3)11-17-8-6-15(4)18-9-7-16(5)20(17)18/h11,13,15,17-18H,6-10,12H2,1-5H3",CC(=CC1CCC(C)C2CCC(C)=C12)COC(=O)CC(C)C,C20H32O2,,304.240230264,QFANMAOKAWEBQA,Terpenoids,Sesquiterpenoids,Valerenane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,8.132990837097168 109937,4438,173,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.44808087,ISDB,JIUJVEDQFZYETQ-RCZWDNKTSA-N,"InChI=1S/C16H20O8/c17-6-12-13(20)14(21)15(22)16(24-12)23-11-4-3-10(19)8-2-1-7(18)5-9(8)11/h1-2,5,11-18,20-22H,3-4,6H2/t11-,12+,13+,14-,15+,16+/m0/s1",O=C1CC[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2cc(O)ccc21,C16H20O8,,340.1158175999999,JIUJVEDQFZYETQ,Polyketides,Naphthalenes,Naphthalenones,Juglans mandshurica,70093.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Juglandaceae'],['Unknown'],['Juglans'],['Juglans mandshurica'],4,0,5.792323470115662 109905,4436,-1,,,,0.0,MS1_match,KEOITPILCOILGM-FCWYPSSHSA-N,"InChI=1S/C41H66O12/c1-21-28(44)30(46)31(47)33(51-21)53-32-29(45)24(43)19-50-34(32)52-27-11-12-37(4)25(38(27,5)20-42)10-13-40(7)26(37)9-8-22-23-18-36(2,3)14-16-41(23,35(48)49)17-15-39(22,40)6/h8,21,23-34,42-47H,9-20H2,1-7H3,(H,48,49)/t21-,23-,24+,25+,26+,27-,28-,29+,30-,31+,32-,33-,34+,37-,38-,39+,40+,41-/m0/s1",C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)CC[C@]6(C(=O)O)CC[C@]45C)[C@]3(C)CO)OC[C@@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O,C41H66O12,pos_1_sodium,750.455427552,KEOITPILCOILGM,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis tibetana,972666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tibetana'],8,0,8.0 109906,4436,-1,,,,0.0,MS1_match,KEOITPILCOILGM-LLJOFIFVSA-N,"InChI=1S/C41H66O12/c1-21-28(44)30(46)31(47)33(51-21)53-32-29(45)24(43)19-50-34(32)52-27-11-12-37(4)25(38(27,5)20-42)10-13-40(7)26(37)9-8-22-23-18-36(2,3)14-16-41(23,35(48)49)17-15-39(22,40)6/h8,21,23-34,42-47H,9-20H2,1-7H3,(H,48,49)/t21-,23-,24-,25+,26+,27-,28-,29-,30+,31+,32+,33-,34-,37-,38-,39+,40+,41-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)CC[C@]6(C(=O)O)CC[C@]45C)[C@]3(C)CO)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C41H66O12,pos_1_sodium,750.4554275520003,KEOITPILCOILGM,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis orientalis,594147.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis orientalis'],8,0,8.0 109907,4436,-1,,,,0.0,MS1_match,KEOITPILCOILGM-FCWYPSSHSA-N,"InChI=1S/C41H66O12/c1-21-28(44)30(46)31(47)33(51-21)53-32-29(45)24(43)19-50-34(32)52-27-11-12-37(4)25(38(27,5)20-42)10-13-40(7)26(37)9-8-22-23-18-36(2,3)14-16-41(23,35(48)49)17-15-39(22,40)6/h8,21,23-34,42-47H,9-20H2,1-7H3,(H,48,49)/t21-,23-,24+,25+,26+,27-,28-,29+,30-,31+,32-,33-,34+,37-,38-,39+,40+,41-/m0/s1",C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)CC[C@]6(C(=O)O)CC[C@]45C)[C@]3(C)CO)OC[C@@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O,C41H66O12,pos_1_sodium,750.455427552,KEOITPILCOILGM,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis tibetana,972666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tibetana'],8,0,8.0 109908,4436,-1,,,,0.0,MS1_match,KEOITPILCOILGM-ATMJNGMXSA-N,"InChI=1S/C41H66O12/c1-21-28(44)30(46)31(47)33(51-21)53-32-29(45)24(43)19-50-34(32)52-27-11-12-37(4)25(38(27,5)20-42)10-13-40(7)26(37)9-8-22-23-18-36(2,3)14-16-41(23,35(48)49)17-15-39(22,40)6/h8,21,23-34,42-47H,9-20H2,1-7H3,(H,48,49)/t21-,23+,24-,25+,26+,27-,28-,29-,30+,31+,32+,33-,34-,37-,38-,39+,40+,41-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C4[C@H]6CC(C)(C)CC[C@]6(C(=O)O)CC[C@]45C)[C@]3(C)CO)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C41H66O12,pos_1_sodium,750.455427552,KEOITPILCOILGM,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis chinensis,841986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis chinensis'],8,0,8.0 109909,4436,-1,,,,0.0,MS1_match,KEOITPILCOILGM-ATMJNGMXSA-N,"InChI=1S/C41H66O12/c1-21-28(44)30(46)31(47)33(51-21)53-32-29(45)24(43)19-50-34(32)52-27-11-12-37(4)25(38(27,5)20-42)10-13-40(7)26(37)9-8-22-23-18-36(2,3)14-16-41(23,35(48)49)17-15-39(22,40)6/h8,21,23-34,42-47H,9-20H2,1-7H3,(H,48,49)/t21-,23+,24-,25+,26+,27-,28-,29-,30+,31+,32+,33-,34-,37-,38-,39+,40+,41-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C4[C@H]6CC(C)(C)CC[C@]6(C(=O)O)CC[C@]45C)[C@]3(C)CO)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C41H66O12,pos_1_sodium,750.455427552,KEOITPILCOILGM,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis chinensis,841986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis chinensis'],8,0,8.0 109910,4436,-1,,,,0.0,MS1_match,KEOITPILCOILGM-LLJOFIFVSA-N,"InChI=1S/C41H66O12/c1-21-28(44)30(46)31(47)33(51-21)53-32-29(45)24(43)19-50-34(32)52-27-11-12-37(4)25(38(27,5)20-42)10-13-40(7)26(37)9-8-22-23-18-36(2,3)14-16-41(23,35(48)49)17-15-39(22,40)6/h8,21,23-34,42-47H,9-20H2,1-7H3,(H,48,49)/t21-,23-,24-,25+,26+,27-,28-,29-,30+,31+,32+,33-,34-,37-,38-,39+,40+,41-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)CC[C@]6(C(=O)O)CC[C@]45C)[C@]3(C)CO)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C41H66O12,pos_1_sodium,750.4554275520003,KEOITPILCOILGM,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis orientalis,594147.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis orientalis'],8,0,8.0 109911,4436,-1,,,,0.0,MS1_match,KEOITPILCOILGM-LLJOFIFVSA-N,"InChI=1S/C41H66O12/c1-21-28(44)30(46)31(47)33(51-21)53-32-29(45)24(43)19-50-34(32)52-27-11-12-37(4)25(38(27,5)20-42)10-13-40(7)26(37)9-8-22-23-18-36(2,3)14-16-41(23,35(48)49)17-15-39(22,40)6/h8,21,23-34,42-47H,9-20H2,1-7H3,(H,48,49)/t21-,23-,24-,25+,26+,27-,28-,29-,30+,31+,32+,33-,34-,37-,38-,39+,40+,41-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)CC[C@]6(C(=O)O)CC[C@]45C)[C@]3(C)CO)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C41H66O12,pos_1_sodium,750.4554275520003,KEOITPILCOILGM,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis tangutica,21285.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tangutica'],8,0,8.0 109912,4436,-1,,,,0.0,MS1_match,KEOITPILCOILGM-LLJOFIFVSA-N,"InChI=1S/C41H66O12/c1-21-28(44)30(46)31(47)33(51-21)53-32-29(45)24(43)19-50-34(32)52-27-11-12-37(4)25(38(27,5)20-42)10-13-40(7)26(37)9-8-22-23-18-36(2,3)14-16-41(23,35(48)49)17-15-39(22,40)6/h8,21,23-34,42-47H,9-20H2,1-7H3,(H,48,49)/t21-,23-,24-,25+,26+,27-,28-,29-,30+,31+,32+,33-,34-,37-,38-,39+,40+,41-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)CC[C@]6(C(=O)O)CC[C@]45C)[C@]3(C)CO)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C41H66O12,pos_1_sodium,750.4554275520003,KEOITPILCOILGM,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis tangutica,21285.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tangutica'],8,0,8.0 109913,4436,-1,,,,0.0,MS1_match,GXWUEMSASMVWKO-LFGJQLCQSA-N,"InChI=1S/C41H66O12/c1-36(2)14-16-41(35(48)49)17-15-39(6)21(22(41)18-36)8-9-26-38(5)12-11-27(37(3,4)25(38)10-13-40(26,39)7)52-34-32(28(44)23(43)20-50-34)53-33-31(47)30(46)29(45)24(19-42)51-33/h8,22-34,42-47H,9-20H2,1-7H3,(H,48,49)/t22-,23-,24+,25-,26+,27-,28-,29+,30-,31+,32+,33-,34-,38-,39+,40+,41-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C41H66O12,pos_1_sodium,750.4554275520002,GXWUEMSASMVWKO,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis tangutica,21285.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tangutica'],8,0,8.0 109914,4436,-1,,,,0.0,MS1_match,JIAZWFZSNYBPNC-UHFFFAOYSA-N,"InChI=1S/C41H66O12/c1-21-28(44)30(46)32(48)34(51-21)53-35(49)41-16-14-36(2,3)18-23(41)22-8-9-26-37(4)12-11-27(52-33-31(47)29(45)24(43)19-50-33)38(5,20-42)25(37)10-13-40(26,7)39(22,6)15-17-41/h8,21,23-34,42-48H,9-20H2,1-7H3",CC1OC(OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CCC(OC6OCC(O)C(O)C6O)C(C)(CO)C5CCC4(C)C2(C)CC3)C(O)C(O)C1O,C41H66O12,pos_1_sodium,750.455427552,JIAZWFZSNYBPNC,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis tangutica,21285.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tangutica'],8,0,8.0 109915,4436,-1,,,,0.0,MS1_match,GXWUEMSASMVWKO-LFGJQLCQSA-N,"InChI=1S/C41H66O12/c1-36(2)14-16-41(35(48)49)17-15-39(6)21(22(41)18-36)8-9-26-38(5)12-11-27(37(3,4)25(38)10-13-40(26,39)7)52-34-32(28(44)23(43)20-50-34)53-33-31(47)30(46)29(45)24(19-42)51-33/h8,22-34,42-47H,9-20H2,1-7H3,(H,48,49)/t22-,23-,24+,25-,26+,27-,28-,29+,30-,31+,32+,33-,34-,38-,39+,40+,41-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C41H66O12,pos_1_sodium,750.4554275520002,GXWUEMSASMVWKO,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis tangutica,21285.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tangutica'],8,0,8.0 109916,4436,-1,,,,0.0,MS1_match,GXWUEMSASMVWKO-LFGJQLCQSA-N,"InChI=1S/C41H66O12/c1-36(2)14-16-41(35(48)49)17-15-39(6)21(22(41)18-36)8-9-26-38(5)12-11-27(37(3,4)25(38)10-13-40(26,39)7)52-34-32(28(44)23(43)20-50-34)53-33-31(47)30(46)29(45)24(19-42)51-33/h8,22-34,42-47H,9-20H2,1-7H3,(H,48,49)/t22-,23-,24+,25-,26+,27-,28-,29+,30-,31+,32+,33-,34-,38-,39+,40+,41-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C41H66O12,pos_1_sodium,750.4554275520002,GXWUEMSASMVWKO,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis tangutica,21285.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tangutica'],8,0,8.0 109898,4435,147,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,FILRFEXGRQEKMM-ZYAMGDOSSA-N,"InChI=1S/C16H26O9/c1-6-7-3-10(16(2,22)14(7)23-5-8(6)18)25-15-13(21)12(20)11(19)9(4-17)24-15/h6-7,9-15,17,19-22H,3-5H2,1-2H3/t6-,7-,9-,10+,11-,12+,13-,14+,15+,16-/m1/s1",C[C@H]1C(=O)CO[C@H]2[C@@H]1C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@]2(C)O,C16H26O9,pos_1_1sodium1acetonitrile,362.157682412,FILRFEXGRQEKMM,Terpenoids,Monoterpenoids,,Patrinia scabra,68239.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia scabra'],6,0,6.0 109899,4435,147,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,DPBCFTHDJGXWRI-ZYAMGDOSSA-N,"InChI=1S/C16H26O9/c1-6-7-3-10(19)16(2,14(7)23-5-8(6)18)25-15-13(22)12(21)11(20)9(4-17)24-15/h6-7,9-15,17,19-22H,3-5H2,1-2H3/t6-,7-,9-,10+,11-,12+,13-,14+,15+,16-/m1/s1",C[C@H]1C(=O)CO[C@H]2[C@@H]1C[C@H](O)[C@@]2(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H26O9,pos_1_1sodium1acetonitrile,362.157682412,DPBCFTHDJGXWRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia scabra,68239.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia scabra'],6,0,6.0 109900,4435,147,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,DBLVGADGVDUSHJ-XBNYBDERSA-N,"InChI=1S/C16H26O9/c1-6-7-3-10(18)16(2,8(7)5-23-14(6)22)25-15-13(21)12(20)11(19)9(4-17)24-15/h6-13,15,17-21H,3-5H2,1-2H3/t6-,7-,8+,9-,10+,11-,12+,13-,15+,16+/m1/s1",C[C@H]1C(=O)OC[C@H]2[C@@H]1C[C@H](O)[C@@]2(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H26O9,pos_1_1sodium1acetonitrile,362.157682412,DBLVGADGVDUSHJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia scabra,68239.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia scabra'],6,0,6.0 109901,4435,147,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,DBLVGADGVDUSHJ-RLIMOHGTSA-N,"InChI=1S/C16H26O9/c1-6-7-3-10(18)16(2,8(7)5-23-14(6)22)25-15-13(21)12(20)11(19)9(4-17)24-15/h6-13,15,17-21H,3-5H2,1-2H3/t6-,7+,8-,9-,10+,11-,12+,13-,15+,16+/m1/s1",C[C@H]1C(=O)OC[C@@H]2[C@H]1C[C@H](O)[C@@]2(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H26O9,pos_1_1sodium1acetonitrile,362.157682412,DBLVGADGVDUSHJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia villosa,971855.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia villosa'],6,0,6.0 109902,4435,147,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAKWYUWXLTYDQR-LTPIHACHSA-N,"InChI=1S/C16H26O9/c1-6-7-2-10(8(3-17)9(7)5-23-15(6)22)24-16-14(21)13(20)12(19)11(4-18)25-16/h6-14,16-21H,2-5H2,1H3/t6-,7-,8-,9+,10+,11-,12-,13+,14-,16-/m1/s1",C[C@H]1C(=O)OC[C@@H]2[C@@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C[C@@H]21,C16H26O9,pos_1_1sodium1acetonitrile,362.157682412,RAKWYUWXLTYDQR,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia gibbosa,231859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia gibbosa'],6,0,6.0 109903,4435,147,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ZHEBCILICLSWEG-XBNYBDERSA-N,"InChI=1S/C16H26O9/c1-6-7-3-10(16(2,22)8(7)5-23-14(6)21)25-15-13(20)12(19)11(18)9(4-17)24-15/h6-13,15,17-20,22H,3-5H2,1-2H3/t6-,7-,8+,9-,10+,11-,12+,13-,15+,16+/m1/s1",C[C@H]1C(=O)OC[C@H]2[C@@H]1C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@]2(C)O,C16H26O9,pos_1_1sodium1acetonitrile,362.15768241199993,ZHEBCILICLSWEG,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia scabra,68239.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia scabra'],6,0,6.0 109904,4435,147,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ZHEBCILICLSWEG-XBNYBDERSA-N,"InChI=1S/C16H26O9/c1-6-7-3-10(16(2,22)8(7)5-23-14(6)21)25-15-13(20)12(19)11(18)9(4-17)24-15/h6-13,15,17-20,22H,3-5H2,1-2H3/t6-,7-,8+,9-,10+,11-,12+,13-,15+,16+/m1/s1",C[C@H]1C(=O)OC[C@H]2[C@@H]1C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@]2(C)O,C16H26O9,pos_1_1sodium1acetonitrile,362.15768241199993,ZHEBCILICLSWEG,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia scabra,68239.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia scabra'],6,0,6.0 109896,4434,-1,,,,0.0,MS1_match,ZHKYTTFZXBSTEE-UHFFFAOYSA-N,"InChI=1S/C10H18O4/c1-6(4-11)7-3-9(13)10(2,14)8(7)5-12/h7-9,11-14H,1,3-5H2,2H3",C=C(CO)C1CC(O)C(C)(O)C1CO,C10H18O4,pos_1_1proton1acetonitrile,202.120509056,ZHKYTTFZXBSTEE,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,0,6.0 109897,4434,-1,,,,0.0,MS1_match,ZHKYTTFZXBSTEE-KATARQTJSA-N,"InChI=1S/C10H18O4/c1-6(4-11)7-3-9(13)10(2,14)8(7)5-12/h7-9,11-14H,1,3-5H2,2H3/t7-,8+,9+,10+/m1/s1",C=C(CO)[C@H]1C[C@H](O)[C@@](C)(O)[C@H]1CO,C10H18O4,pos_1_1proton1acetonitrile,202.120509056,ZHKYTTFZXBSTEE,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia scabra,68239.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia scabra'],6,0,6.0 109890,4432,-1,,,,0.0,MS1_match,MDFCJNFOINXVSU-LVRKTUNHSA-N,"InChI=1S/C31H43NO9/c1-32-14-28(15-37-2)12-11-18(38-3)30-17-13-29(35)25(41-27(34)16-9-7-6-8-10-16)19(17)31(36,24(33)26(29)40-5)20(23(30)32)21(39-4)22(28)30/h6-10,17-26,33,35-36H,11-15H2,1-5H3/t17-,18?,19-,20?,21?,22-,23?,24?,25?,26?,28-,29+,30?,31+/m0/s1",COC[C@@]12CCC(OC)C34C(C(C(OC)[C@H]31)[C@@]1(O)C(O)C(OC)[C@@]3(O)C[C@H]4[C@H]1C3OC(=O)c1ccccc1)N(C)C2,C31H43NO9,pos_1_sodium,573.293781956,MDFCJNFOINXVSU,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum,756111.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Unknown'],6,0,6.0 109891,4432,-1,,,,0.0,MS1_match,MDFCJNFOINXVSU-LVRKTUNHSA-N,"InChI=1S/C31H43NO9/c1-32-14-28(15-37-2)12-11-18(38-3)30-17-13-29(35)25(41-27(34)16-9-7-6-8-10-16)19(17)31(36,24(33)26(29)40-5)20(23(30)32)21(39-4)22(28)30/h6-10,17-26,33,35-36H,11-15H2,1-5H3/t17-,18?,19-,20?,21?,22-,23?,24?,25?,26?,28-,29+,30?,31+/m0/s1",COC[C@@]12CCC(OC)C34C(C(C(OC)[C@H]31)[C@@]1(O)C(O)C(OC)[C@@]3(O)C[C@H]4[C@H]1C3OC(=O)c1ccccc1)N(C)C2,C31H43NO9,pos_1_sodium,573.293781956,MDFCJNFOINXVSU,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum carmichaelii,549536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum carmichaelii'],6,0,6.0 109892,4432,-1,,,,0.0,MS1_match,KRMUYGOMMRXYIO-STWAPHNASA-N,"InChI=1S/C31H43NO9/c1-5-32-15-27(16-38-2)11-10-21(40-4)31-19-12-29(36)22(41-26(34)17-6-8-18(39-3)9-7-17)14-28(35,23(19)25(29)33)20(24(31)32)13-30(27,31)37/h6-9,19-25,33,35-37H,5,10-16H2,1-4H3/t19-,20-,21+,22-,23-,24+,25+,27-,28+,29+,30-,31+/m1/s1",CCN1C[C@@]2(COC)CC[C@H](OC)[C@]34[C@@H]5C[C@]6(O)[C@H](OC(=O)c7ccc(OC)cc7)C[C@@](O)([C@H]5[C@@H]6O)[C@H](C[C@@]23O)[C@H]14,C31H43NO9,pos_1_sodium,573.293781956,KRMUYGOMMRXYIO,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum hemsleyanum var. circinatum,97183.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum hemsleyanum'],6,0,6.0 109893,4432,-1,,,,0.0,MS1_match,XCECFGZDBQDQKX-KANZPMOTSA-N,"InChI=1S/C31H43NO9/c1-5-32-15-27(16-38-2)11-10-22(40-4)31-19-12-29(36)21(33)14-28(35,20(24(31)32)13-30(27,31)37)23(19)25(29)41-26(34)17-6-8-18(39-3)9-7-17/h6-9,19-25,33,35-37H,5,10-16H2,1-4H3/t19-,20+,21+,22-,23-,24-,25+,27+,28+,29+,30+,31-/m1/s1",CCN1C[C@]2(COC)CC[C@@H](OC)[C@@]34[C@@H]5C[C@]6(O)[C@@H](O)C[C@@](O)([C@H]5[C@@H]6OC(=O)c5ccc(OC)cc5)[C@@H](C[C@]23O)[C@@H]14,C31H43NO9,pos_1_sodium,573.293781956,XCECFGZDBQDQKX,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum hemsleyanum var. circinatum,97183.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum hemsleyanum'],6,0,6.0 109894,4432,-1,,,,0.0,MS1_match,BPPDVTFLQRAEDV-HLJIRSTQSA-N,"InChI=1S/C31H43NO9/c1-5-32-15-27(16-38-2)11-10-23(40-4)30-21-12-19-20(41-25(34)17-6-8-18(39-3)9-7-17)13-29(36,31(21,37)24(19)33)28(35,26(30)32)14-22(27)30/h6-9,19-24,26,33,35-37H,5,10-16H2,1-4H3/t19-,20+,21+,22-,23+,24+,26-,27+,28-,29+,30-,31+/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]2C[C@@](O)([C@@H]13)[C@@]1(O)C[C@H](OC(=O)c2ccc(OC)cc2)[C@H]2C[C@@H]4[C@]1(O)[C@H]2O,C31H43NO9,pos_1_sodium,573.293781956,BPPDVTFLQRAEDV,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum hemsleyanum,511674.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum hemsleyanum'],6,0,6.0 109895,4432,-1,,,,0.0,MS1_match,GKENHHXNKHSDMD-HLJIRSTQSA-N,"InChI=1S/C31H43NO9/c1-5-32-15-27(16-38-2)11-10-23(40-4)30-21-12-19-20(33)13-29(36,28(35,26(30)32)14-22(27)30)31(21,37)24(19)41-25(34)17-6-8-18(39-3)9-7-17/h6-9,19-24,26,33,35-37H,5,10-16H2,1-4H3/t19-,20+,21+,22-,23+,24+,26-,27+,28-,29+,30-,31+/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]2C[C@@](O)([C@@H]13)[C@@]1(O)C[C@H](O)[C@H]2C[C@@H]4[C@]1(O)[C@H]2OC(=O)c1ccc(OC)cc1,C31H43NO9,pos_1_sodium,573.293781956,GKENHHXNKHSDMD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum hemsleyanum,511674.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum hemsleyanum'],6,0,6.0 109797,4431,-1,,,,0.0,MS1_match,VESROWPDCSMBRM-RMTQGBGSSA-N,"InChI=1S/C14H22O2/c1-9-4-5-11(8-10(2)15)14-12(9)6-7-13(14,3)16-14/h9,11-12H,4-8H2,1-3H3/t9-,11+,12-,13+,14-/m1/s1",CC(=O)C[C@@H]1CC[C@@H](C)[C@H]2CC[C@]3(C)O[C@]123,C14H22O2,pos_2MH,222.161979944,VESROWPDCSMBRM,Terpenoids,Sesquiterpenoids,Arteminisin,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 109796,4427,-1,,,,0.22486156,ISDB,,,,,,,PPVRJCXEIBRCDT,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.8994462490081787 109794,4426,25,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.35606763,ISDB,ILKCZSIFTWFKAX-HEUMWBDUSA-N,"InChI=1S/C12H20O9/c13-3-6-8(17)9(18)10(19)12(20-6)21-11-5(15)2-1-4(14)7(11)16/h1-2,4-19H,3H2/t4-,5+,6+,7-,8+,9-,10+,11-,12-/m0/s1",OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)C=C[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,C12H20O9,,308.11073222,ILKCZSIFTWFKAX,Carbohydrates,Saccharides,,Vincetoxicum tanakae,204104.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Asclepiadeae'],['Vincetoxicum'],['Vincetoxicum tanakae'],4,0,5.424270510673523 109792,4425,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OCBGWPJNUZMLCA-RDJZCZTQSA-N,"InChI=1S/C20H18O8/c1-24-13-7-10(3-5-12(13)22)17-15(9-21)26-20-18-11(4-6-16(23)27-18)8-14(25-2)19(20)28-17/h3-8,15,17,21-22H,9H2,1-2H3/t15-,17-/m0/s1",COc1cc([C@@H]2Oc3c(OC)cc4ccc(=O)oc4c3O[C@H]2CO)ccc1O,C20H18O8,pos_1_minus1proton2potassium,386.100167536,OCBGWPJNUZMLCA,Shikimates and Phenylpropanoids,Coumarins,Coumarinolignans,Coptis japonica,387829.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Coptis'],['Coptis japonica'],6,1,6.5 109793,4425,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OCBGWPJNUZMLCA-RDJZCZTQSA-N,"InChI=1S/C20H18O8/c1-24-13-7-10(3-5-12(13)22)17-15(9-21)26-20-18-11(4-6-16(23)27-18)8-14(25-2)19(20)28-17/h3-8,15,17,21-22H,9H2,1-2H3/t15-,17-/m0/s1",COc1cc([C@@H]2Oc3c(OC)cc4ccc(=O)oc4c3O[C@H]2CO)ccc1O,C20H18O8,pos_1_minus1proton2potassium,386.100167536,OCBGWPJNUZMLCA,Shikimates and Phenylpropanoids,Coumarins,Coumarinolignans,Coptis japonica,387829.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Coptis'],['Coptis japonica'],6,1,6.5 109780,4424,-1,,,,0.0,MS1_match,BKATZVAUANSCKN-QWRGUYRKSA-N,"InChI=1S/C12H18O2/c1-8(13)14-7-9-4-5-10-6-11(9)12(10,2)3/h4,10-11H,5-7H2,1-3H3/t10-,11-/m0/s1",CC(=O)OCC1=CC[C@H]2C[C@@H]1C2(C)C,C12H18O2,pos_1_1proton,194.130679816,BKATZVAUANSCKN,Terpenoids,Monoterpenoids,Pinane monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 109781,4424,-1,,,,0.0,MS1_match,PBWRFXQNNGSAQG-UHFFFAOYSA-N,"InChI=1S/C12H18O2/c1-7(2)12-5-10(12)8(3)11(6-12)14-9(4)13/h7,10-11H,3,5-6H2,1-2,4H3",C=C1C(OC(C)=O)CC2(C(C)C)CC12,C12H18O2,pos_1_1proton,194.130679816,PBWRFXQNNGSAQG,Terpenoids,Monoterpenoids,Thujane monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 109782,4424,-1,,,,0.0,MS1_match,ALVJDUNBMKMTDC-UHFFFAOYSA-N,"InChI=1S/C12H18O2/c1-12(2,3)10-8-9(13-4)6-7-11(10)14-5/h6-8H,1-5H3",COc1ccc(OC)c(C(C)(C)C)c1,C12H18O2,pos_1_1proton,194.130679816,ALVJDUNBMKMTDC,Shikimates and Phenylpropanoids,,,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 109783,4424,-1,,,,0.0,MS1_match,RWENJYLCELUBAE-UHFFFAOYSA-N,"InChI=1S/C12H18O2/c1-8(2)10-6-11(13-4)9(3)12(7-10)14-5/h6-8H,1-5H3",COc1cc(C(C)C)cc(OC)c1C,C12H18O2,pos_1_1proton,194.130679816,RWENJYLCELUBAE,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 109784,4424,-1,,,,0.0,MS1_match,GVZSSHYAFJPRJY-GARJFASQSA-N,"InChI=1S/C12H18O2/c1-7-10-5-9(12(7,3)4)6-11(10)14-8(2)13/h9-11H,1,5-6H2,2-4H3/t9-,10-,11+/m0/s1",C=C1[C@@H]2C[C@@H](C[C@H]2OC(C)=O)C1(C)C,C12H18O2,pos_1_1proton,194.130679816,GVZSSHYAFJPRJY,Terpenoids,Monoterpenoids,Camphane monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 109785,4424,-1,,,,0.0,MS1_match,OZBFUQLOVFXDNK-VWYCJHECSA-N,"InChI=1S/C12H18O2/c1-7-5-11(14-8(2)13)10-6-9(7)12(10,3)4/h5,9-11H,6H2,1-4H3/t9-,10+,11+/m1/s1",CC(=O)O[C@H]1C=C(C)[C@H]2C[C@@H]1C2(C)C,C12H18O2,pos_1_1proton,194.130679816,OZBFUQLOVFXDNK,Terpenoids,Monoterpenoids,Pinane monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 109775,4423,1105,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RRAFCDWBNXTKKO-UHFFFAOYSA-N,"InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3",C=CCc1ccc(O)c(OC)c1,C10H12O2,pos_1_1proton,164.083729624,RRAFCDWBNXTKKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],8,3,9.5 109776,4423,1105,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,LREHGXOCZVBABG-UHFFFAOYSA-N,"InChI=1S/C10H12O2/c1-3-5-8-6-4-7-9(12-2)10(8)11/h3-4,6-7,11H,1,5H2,2H3",C=CCc1cccc(OC)c1O,C10H12O2,pos_1_1proton,164.083729624,LREHGXOCZVBABG,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],8,3,9.5 109774,4421,-1,,,,0.30502918,ISDB,,,,,,,VQGMGYYBHAOTTE,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.2201167345046997 109771,4420,86,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.68295443,ISDB,,,,,,,QGQZZVMZZMLDQI,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.7318177223205566 109764,4419,173,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,UEEFSWPSRLSUQJ-NOMYRAODSA-N,"InChI=1S/C25H31NO11/c1-2-15-16(8-7-14-5-3-9-26(11-14)10-4-6-19(28)29)17(23(33)34)13-35-24(15)37-25-22(32)21(31)20(30)18(12-27)36-25/h2-3,5,7-9,11,13,15-16,18,20-22,24-25,27,30-32H,1,4,6,10,12H2,(H-,28,29,33,34)/b8-7+/t15-,16+,18-,20-,21+,22-,24+,25+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)[O-])[C@H]1/C=C/c1ccc[n+](CCCC(=O)O)c1,C25H31NO11,pos_1_1proton1methanol,521.1897108119997,UEEFSWPSRLSUQJ,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 109765,4419,173,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,QGCICTMJHHIGBT-LSWTWQANSA-N,"InChI=1S/C25H31NO11/c1-4-15-16(7-6-13-8-14(22(31)32)10-26(5-2)9-13)17(23(33)34-3)12-35-24(15)37-25-21(30)20(29)19(28)18(11-27)36-25/h4,6-10,12,15-16,18-21,24-25,27-30H,1,5,11H2,2-3H3/b7-6+/t15-,16+,18-,19-,20+,21-,24+,25+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1/C=C/c1cc(C(=O)[O-])c[n+](CC)c1,C25H31NO11,pos_1_1proton1methanol,521.1897108119998,QGCICTMJHHIGBT,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 109754,4418,-1,,,,0.0,MS1_match,LLTOPKQGFAAMKH-UHFFFAOYSA-N,"InChI=1S/C12H12O4/c1-7-4-8(14-2)5-10-12(7)9(15-3)6-11(13)16-10/h4-6H,1-3H3",COc1cc(C)c2c(OC)cc(=O)oc2c1,C12H12O4,pos_2_2proton2acetonitrile,220.073558864,LLTOPKQGFAAMKH,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Clematis delavayi,72769.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis delavayi'],8,0,8.0 109682,4417,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.24950835,ISDB,CCRXMHCQWYVXTE-AWALXHGNSA-N,"InChI=1S/C47H76O18/c1-42(2)13-15-47(41(59)65-40-37(58)34(55)32(53)26(63-40)20-61-38-36(57)33(54)31(52)25(18-48)62-38)16-14-45(5)22(23(47)17-42)7-8-28-43(3)11-10-29(64-39-35(56)30(51)24(50)19-60-39)44(4,21-49)27(43)9-12-46(28,45)6/h7,23-40,48-58H,8-21H2,1-6H3/t23-,24+,25+,26+,27+,28+,29-,30+,31+,32+,33-,34-,35-,36+,37+,38+,39-,40-,43-,44-,45+,46+,47-/m0/s1",CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@@H](O)[C@@H](O)[C@@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C47H76O18,,928.503165592,CCRXMHCQWYVXTE,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lonicera nigra,179065.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera nigra'],8,3,10.49803340435028 109677,4414,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.34338242,ISDB,WVOVTSGMSZJIRX-BPKVZKIVSA-N,"InChI=1S/C27H46O12/c1-6-14(2)8-7-9-15(3)10-11-18(27(4,5)35)38-25-23(34)21(32)24(17(13-29)37-25)39-26-22(33)20(31)19(30)16(12-28)36-26/h6,9,16-26,28-35H,1-2,7-8,10-13H2,3-5H3/b15-9+/t16-,17-,18-,19-,20+,21-,22-,23-,24-,25+,26+/m1/s1",C=CC(=C)CC/C=C(\C)CC[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)C(C)(C)O,C27H46O12,,562.298926912,WVOVTSGMSZJIRX,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Trillium camschatcense,76103.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Liliales'],['Melanthiaceae'],['Unknown'],['Trillium'],['Trillium camschatcense'],4,2,6.373529672622681 109678,4414,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.34338242,ISDB,WVOVTSGMSZJIRX-BPKVZKIVSA-N,"InChI=1S/C27H46O12/c1-6-14(2)8-7-9-15(3)10-11-18(27(4,5)35)38-25-23(34)21(32)24(17(13-29)37-25)39-26-22(33)20(31)19(30)16(12-28)36-26/h6,9,16-26,28-35H,1-2,7-8,10-13H2,3-5H3/b15-9+/t16-,17-,18-,19-,20+,21-,22-,23-,24-,25+,26+/m1/s1",C=CC(=C)CC/C=C(\C)CC[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)C(C)(C)O,C27H46O12,,562.298926912,WVOVTSGMSZJIRX,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Trillium kamtschaticum,76103.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Liliales'],['Melanthiaceae'],['Unknown'],['Trillium'],['Trillium camschatcense'],4,2,6.373529672622681 109679,4414,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.34338242,ISDB,WVOVTSGMSZJIRX-PEMOUXNASA-N,"InChI=1S/C27H46O12/c1-6-14(2)8-7-9-15(3)10-11-18(27(4,5)35)38-25-23(34)21(32)24(17(13-29)37-25)39-26-22(33)20(31)19(30)16(12-28)36-26/h6,9,16-26,28-35H,1-2,7-8,10-13H2,3-5H3/b15-9+/t16-,17-,18+,19-,20+,21-,22-,23-,24-,25+,26+/m1/s1",C=CC(=C)CC/C=C(\C)CC[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)C(C)(C)O,C27H46O12,,562.298926912,WVOVTSGMSZJIRX,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Trillium tschonoskii,594650.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Liliales'],['Melanthiaceae'],['Unknown'],['Trillium'],['Trillium tschonoskii'],4,2,6.373529672622681 109675,4411,-1,,,,0.0,MS1_match,CNYNNXTXLZLYLM-WKZDHGJNSA-N,"InChI=1S/C38H60O12/c1-18-15-20(29(33(5,6)45)47-19(2)40)50-38(46)28(18)34(7)13-14-37-17-36(37)12-11-24(49-30-27(43)26(42)25(41)21(16-39)48-30)32(3,4)22(36)9-10-23(37)35(34,8)31(38)44/h10,18,20-22,24-31,39,41-46H,9,11-17H2,1-8H3/t18-,20-,21-,22+,24+,25+,26+,27-,28-,29-,30+,31-,34-,35-,36-,37+,38-/m1/s1",CC(=O)O[C@H]([C@H]1C[C@@H](C)[C@H]2[C@@](O)(O1)[C@H](O)[C@@]1(C)C3=CC[C@H]4C(C)(C)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O,C38H60O12,pos_2_2proton,708.40847736,CNYNNXTXLZLYLM,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Actaea simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],6,0,6.0 109676,4411,-1,,,,0.0,MS1_match,CNYNNXTXLZLYLM-WKZDHGJNSA-N,"InChI=1S/C38H60O12/c1-18-15-20(29(33(5,6)45)47-19(2)40)50-38(46)28(18)34(7)13-14-37-17-36(37)12-11-24(49-30-27(43)26(42)25(41)21(16-39)48-30)32(3,4)22(36)9-10-23(37)35(34,8)31(38)44/h10,18,20-22,24-31,39,41-46H,9,11-17H2,1-8H3/t18-,20-,21-,22+,24+,25+,26+,27-,28-,29-,30+,31-,34-,35-,36-,37+,38-/m1/s1",CC(=O)O[C@H]([C@H]1C[C@@H](C)[C@H]2[C@@](O)(O1)[C@H](O)[C@@]1(C)C3=CC[C@H]4C(C)(C)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O,C38H60O12,pos_2_2proton,708.40847736,CNYNNXTXLZLYLM,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Cimicifuga simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],6,0,6.0 109670,4410,25,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.20687105,ISDB,SCLGLFRXJNHKQZ-GIBQNNFTSA-N,"InChI=1S/C12H20O8/c1-5-8(14)6(2-3-18-5)19-12-11(17)10(16)9(15)7(4-13)20-12/h2-3,5-17H,4H2,1H3/t5-,6-,7+,8-,9+,10-,11+,12+/m0/s1",C[C@@H]1OC=C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C12H20O8,,292.1158176,SCLGLFRXJNHKQZ,,,,Saponaria officinalis,842209.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Caryophylleae'],['Saponaria'],['Saponaria officinalis'],4,0,4.82748419046402 109671,4410,25,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.20687105,ISDB,SCLGLFRXJNHKQZ-XFLMTTEOSA-N,"InChI=1S/C12H20O8/c1-5-8(14)6(2-3-18-5)19-12-11(17)10(16)9(15)7(4-13)20-12/h2-3,5-17H,4H2,1H3/t5-,6-,7+,8+,9+,10-,11+,12+/m0/s1",C[C@@H]1OC=C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O,C12H20O8,,292.1158176,SCLGLFRXJNHKQZ,,,,Dianthus deltoides,188564.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Caryophylleae'],['Dianthus'],['Dianthus deltoides'],4,0,4.82748419046402 109672,4410,25,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.20687105,ISDB,SCLGLFRXJNHKQZ-XFLMTTEOSA-N,"InChI=1S/C12H20O8/c1-5-8(14)6(2-3-18-5)19-12-11(17)10(16)9(15)7(4-13)20-12/h2-3,5-17H,4H2,1H3/t5-,6-,7+,8+,9+,10-,11+,12+/m0/s1",C[C@@H]1OC=C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O,C12H20O8,,292.1158176,SCLGLFRXJNHKQZ,,,,Dianthus barbatus,590078.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Caryophylleae'],['Dianthus'],['Dianthus barbatus'],4,0,4.82748419046402 109673,4410,25,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.20687105,ISDB,SCLGLFRXJNHKQZ-FYKVHUBJSA-N,"InChI=1S/C12H20O8/c1-5-8(14)6(2-3-18-5)19-12-11(17)10(16)9(15)7(4-13)20-12/h2-3,5-17H,4H2,1H3/t5-,6-,7-,8-,9-,10+,11-,12-/m1/s1",C[C@H]1OC=C[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O,C12H20O8,,292.1158176,SCLGLFRXJNHKQZ,,,,Dianthus longicalyx,904393.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Caryophylleae'],['Dianthus'],['Dianthus longicalyx'],4,0,4.82748419046402 109669,4408,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,HGZGMSVCFBWKLH-UHFFFAOYSA-N,"InChI=1S/C11H10O6/c12-8-3-1-7(5-9(8)13)2-4-11(16)17-6-10(14)15/h1-5,12-13H,6H2,(H,14,15)",O=C(O)COC(=O)C=Cc1ccc(O)c(O)c1,C11H10O6,pos_2MH,238.04773804,HGZGMSVCFBWKLH,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Actaea racemosa,512702.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea racemosa'],6,1,6.5 109649,4406,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,ZNFRITHWVZXJRK-YHFBEQRYSA-N,"InChI=1S/C36H58O8/c1-31(2)14-16-36(30(41)42)17-15-34(6)20(21(36)18-31)8-9-24-33(5)12-11-25(32(3,4)23(33)10-13-35(24,34)7)44-29-28(40)27(39)26(38)22(19-37)43-29/h8,21-29,37-40H,9-19H2,1-7H3,(H,41,42)/t21-,22+,23-,24+,25-,26+,27-,28+,29-,33-,34+,35+,36-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C36H58O8,pos_1_1proton,618.413168816,ZNFRITHWVZXJRK,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis grata,5922971.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis grata'],8,3,9.5 109643,4402,-1,,,,0.0,MS1_match,NCIGKQNGSNDBBN-CKSGFJDPSA-N,"InChI=1S/C23H22O12/c1-8(24)33-7-16-19(30)20(31)21(32)23(35-16)18-13(28)5-12(27)17-14(29)6-15(34-22(17)18)9-2-3-10(25)11(26)4-9/h2-6,16,19-21,23,25-28,30-32H,7H2,1H3/t16-,19-,20+,21-,23+/m1/s1",CC(=O)OC[C@H]1O[C@@H](c2c(O)cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc23)[C@H](O)[C@@H](O)[C@@H]1O,C23H22O12,pos_1_1proton1ammonium,490.111126144,NCIGKQNGSNDBBN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Trollius,1011767.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Adonideae'],['Trollius'],['Unknown'],6,0,6.0 109644,4402,-1,,,,0.0,MS1_match,NCIGKQNGSNDBBN-PDZUXIDASA-N,"InChI=1S/C23H22O12/c1-8(24)33-7-16-19(30)20(31)21(32)23(35-16)18-13(28)5-12(27)17-14(29)6-15(34-22(17)18)9-2-3-10(25)11(26)4-9/h2-6,16,19-21,23,25-28,30-32H,7H2,1H3/t16-,19+,20-,21+,23-/m0/s1",CC(=O)OC[C@@H]1O[C@@H](c2c(O)cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc23)[C@H](O)[C@@H](O)[C@@H]1O,C23H22O12,pos_1_1proton1ammonium,490.111126144,NCIGKQNGSNDBBN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Trollius ledebouri,841872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Adonideae'],['Trollius'],['Trollius ledebouri'],6,0,6.0 109645,4402,-1,,,,0.0,MS1_match,MWEQHAGXLGTSKL-OPCQMSRDSA-N,"InChI=1S/C23H22O12/c1-9(25)32-22-19(31)17(29)15(8-24)34-23(22)35-21-18(30)16-13(28)6-12(27)7-14(16)33-20(21)10-2-4-11(26)5-3-10/h2-7,15,17,19,22-24,26-29,31H,8H2,1H3/t15-,17-,19+,22-,23+/m1/s1",CC(=O)O[C@H]1[C@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)O[C@H](CO)[C@@H](O)[C@@H]1O,C23H22O12,pos_1_1proton1ammonium,490.1111261439999,MWEQHAGXLGTSKL,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Staphisagria macrosperma,969162.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Staphisagria'],['Staphisagria macrosperma'],6,0,6.0 109646,4402,-1,,,,0.0,MS1_match,MWEQHAGXLGTSKL-OPCQMSRDSA-N,"InChI=1S/C23H22O12/c1-9(25)32-22-19(31)17(29)15(8-24)34-23(22)35-21-18(30)16-13(28)6-12(27)7-14(16)33-20(21)10-2-4-11(26)5-3-10/h2-7,15,17,19,22-24,26-29,31H,8H2,1H3/t15-,17-,19+,22-,23+/m1/s1",CC(=O)O[C@H]1[C@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)O[C@H](CO)[C@@H](O)[C@@H]1O,C23H22O12,pos_1_1proton1ammonium,490.1111261439999,MWEQHAGXLGTSKL,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Delphinium staphisagria,969162.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Staphisagria'],['Staphisagria macrosperma'],6,0,6.0 109647,4402,-1,,,,0.0,MS1_match,MWEQHAGXLGTSKL-OPCQMSRDSA-N,"InChI=1S/C23H22O12/c1-9(25)32-22-19(31)17(29)15(8-24)34-23(22)35-21-18(30)16-13(28)6-12(27)7-14(16)33-20(21)10-2-4-11(26)5-3-10/h2-7,15,17,19,22-24,26-29,31H,8H2,1H3/t15-,17-,19+,22-,23+/m1/s1",CC(=O)O[C@H]1[C@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)O[C@H](CO)[C@@H](O)[C@@H]1O,C23H22O12,pos_1_1proton1ammonium,490.1111261439999,MWEQHAGXLGTSKL,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Staphisagria macrosperma,969162.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Staphisagria'],['Staphisagria macrosperma'],6,0,6.0 109648,4402,-1,,,,0.0,MS1_match,MWEQHAGXLGTSKL-OPCQMSRDSA-N,"InChI=1S/C23H22O12/c1-9(25)32-22-19(31)17(29)15(8-24)34-23(22)35-21-18(30)16-13(28)6-12(27)7-14(16)33-20(21)10-2-4-11(26)5-3-10/h2-7,15,17,19,22-24,26-29,31H,8H2,1H3/t15-,17-,19+,22-,23+/m1/s1",CC(=O)O[C@H]1[C@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)O[C@H](CO)[C@@H](O)[C@@H]1O,C23H22O12,pos_1_1proton1ammonium,490.1111261439999,MWEQHAGXLGTSKL,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Delphinium staphisagria,969162.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Staphisagria'],['Staphisagria macrosperma'],6,0,6.0 109642,4399,1270,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,FEJTUHSIRAJLOJ-UHFFFAOYSA-N,"InChI=1S/C13H14N2O3/c1-8-6-9-11(10(16)7-8)12(13(17)18)15-5-3-2-4-14(9)15/h6-7H,2-5H2,1H3,(H,17,18)",Cc1cc2n3n(c(C(=O)O)c-2c(=O)c1)CCCC3,C13H14N2O3,pos_2MHNH3,246.100442308,FEJTUHSIRAJLOJ,Alkaloids,,,Nigella sativa,142360.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Nigelleae'],['Nigella'],['Nigella sativa'],6,0,6.0 109601,4395,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,GFPLPBCJRRNZHM-ICUGHKHQSA-N,"InChI=1S/C53H86O22/c1-23-32(57)36(61)40(65)44(70-23)74-42-33(58)26(56)20-68-46(42)73-31-11-12-49(4)29(50(31,5)22-55)10-13-52(7)30(49)9-8-24-25-18-48(2,3)14-16-53(25,17-15-51(24,52)6)47(67)75-45-41(66)38(63)35(60)28(72-45)21-69-43-39(64)37(62)34(59)27(19-54)71-43/h8,23,25-46,54-66H,9-22H2,1-7H3/t23-,25-,26-,27+,28+,29+,30+,31-,32-,33-,34+,35+,36+,37-,38-,39+,40+,41+,42+,43+,44-,45-,46-,49-,50-,51+,52+,53-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)CC[C@]6(C(=O)O[C@@H]6O[C@H](CO[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]45C)[C@]3(C)CO)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C53H86O22,pos_1_1proton1ammonium,1074.5610743920006,GFPLPBCJRRNZHM,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis tibetana,972666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tibetana'],8,3,9.5 109602,4395,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,UEHILKCNLIKLEV-FMYTYVRISA-N,"InChI=1S/C53H86O22/c1-23-32(57)35(60)39(64)45(70-23)74-42-27(19-54)71-43(41(66)37(42)62)69-21-28-34(59)36(61)40(65)46(72-28)75-47(67)53-16-14-48(2,3)18-25(53)24-8-9-30-49(4)12-11-31(73-44-38(63)33(58)26(56)20-68-44)50(5,22-55)29(49)10-13-52(30,7)51(24,6)15-17-53/h8,23,25-46,54-66H,9-22H2,1-7H3/t23-,25-,26+,27+,28+,29+,30+,31-,32-,33+,34+,35+,36-,37+,38+,39+,40+,41+,42+,43+,44-,45-,46-,49-,50-,51+,52+,53-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C4=CC[C@@H]6[C@@]7(C)CC[C@H](O[C@@H]8OC[C@@H](O)[C@@H](O)[C@H]8O)[C@@](C)(CO)[C@@H]7CC[C@@]6(C)[C@]4(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O,C53H86O22,pos_1_1proton1ammonium,1074.561074392,UEHILKCNLIKLEV,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis tibetana,972666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tibetana'],8,3,9.5 109603,4395,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,UEHILKCNLIKLEV-LXABABOZSA-N,"InChI=1S/C53H86O22/c1-23-32(57)35(60)39(64)45(70-23)74-42-27(19-54)71-43(41(66)37(42)62)69-21-28-34(59)36(61)40(65)46(72-28)75-47(67)53-16-14-48(2,3)18-25(53)24-8-9-30-49(4)12-11-31(73-44-38(63)33(58)26(56)20-68-44)50(5,22-55)29(49)10-13-52(30,7)51(24,6)15-17-53/h8,23,25-46,54-66H,9-22H2,1-7H3/t23-,25-,26-,27+,28+,29+,30+,31-,32-,33-,34+,35+,36-,37+,38+,39+,40+,41+,42+,43+,44-,45-,46-,49-,50-,51+,52+,53-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C4=CC[C@@H]6[C@@]7(C)CC[C@H](O[C@@H]8OC[C@H](O)[C@H](O)[C@H]8O)[C@@](C)(CO)[C@@H]7CC[C@@]6(C)[C@]4(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O,C53H86O22,pos_1_1proton1ammonium,1074.561074392,UEHILKCNLIKLEV,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis chinensis,841986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis chinensis'],8,3,9.5 109604,4395,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,UEHILKCNLIKLEV-LXABABOZSA-N,"InChI=1S/C53H86O22/c1-23-32(57)35(60)39(64)45(70-23)74-42-27(19-54)71-43(41(66)37(42)62)69-21-28-34(59)36(61)40(65)46(72-28)75-47(67)53-16-14-48(2,3)18-25(53)24-8-9-30-49(4)12-11-31(73-44-38(63)33(58)26(56)20-68-44)50(5,22-55)29(49)10-13-52(30,7)51(24,6)15-17-53/h8,23,25-46,54-66H,9-22H2,1-7H3/t23-,25-,26-,27+,28+,29+,30+,31-,32-,33-,34+,35+,36-,37+,38+,39+,40+,41+,42+,43+,44-,45-,46-,49-,50-,51+,52+,53-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C4=CC[C@@H]6[C@@]7(C)CC[C@H](O[C@@H]8OC[C@H](O)[C@H](O)[C@H]8O)[C@@](C)(CO)[C@@H]7CC[C@@]6(C)[C@]4(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O,C53H86O22,pos_1_1proton1ammonium,1074.561074392,UEHILKCNLIKLEV,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis orientalis,594147.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis orientalis'],8,3,9.5 109565,4393,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.529777,ISDB,CMXCLTFHXRTSPB-WIXFNSMHSA-N,"InChI=1S/C30H44O2/c1-18(2)9-7-10-19(3)23-14-22-16-30(25(23)13-21(22)5)26-15-24-20(4)11-8-12-29(24,6)17-27(26)32-28(30)31/h9,13,15,19-20,22-23,25-27H,7-8,10-12,14,16-17H2,1-6H3/t19-,20-,22+,23-,25-,26-,27+,29+,30-/m0/s1",CC(C)=CCC[C@H](C)[C@@H]1C[C@@H]2C[C@]3(C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)C5=C[C@@H]43)[C@H]1C=C2C,C30H44O2,,436.334130648,CMXCLTFHXRTSPB,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Helenium autumnale,483908.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Helenieae'],['Helenium'],['Helenium autumnale'],4,2,7.119107961654663 109518,4390,999,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GWTUHAXUUFROTF-AVXJPILUSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-16(15(23)24)6-11(19)14(22)12(20)7-16/h1-5,11-12,14,17-20,22H,6-7H2,(H,23,24)/b4-2+/t11-,12-,14?,16?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC1(C(=O)O)C[C@@H](O)C(O)[C@H](O)C1,C16H18O9,pos_2MK,354.0950821559999,GWTUHAXUUFROTF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],8,3,9.5 109519,4390,999,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_2MK,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],8,3,9.5 109520,4390,999,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GWTUHAXUUFROTF-AVXJPILUSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-16(15(23)24)6-11(19)14(22)12(20)7-16/h1-5,11-12,14,17-20,22H,6-7H2,(H,23,24)/b4-2+/t11-,12-,14?,16?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC1(C(=O)O)C[C@@H](O)C(O)[C@H](O)C1,C16H18O9,pos_2MK,354.0950821559999,GWTUHAXUUFROTF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],8,3,9.5 109521,4390,999,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_2MK,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],8,3,9.5 109522,4390,999,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_2MK,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera macrantha,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],8,3,9.5 109523,4390,999,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_2MK,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera macrantha,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],8,3,9.5 109451,4389,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.27140766,ISDB,BFSRJRKZZSIEFP-MOHLSBLISA-N,"InChI=1S/C30H46O2/c1-24(2)14-16-29-17-15-28(7)27(6)12-8-20-25(3,4)23(31)10-11-26(20,5)21(27)9-13-30(28,32-19-29)22(29)18-24/h9,13,20-22H,8,10-12,14-19H2,1-7H3/t20-,21-,22-,26+,27-,28+,29-,30-/m1/s1",CC1(C)CC[C@@]23CC[C@@]4(C)[C@]5(C)CC[C@@H]6C(C)(C)C(=O)CC[C@]6(C)[C@H]5C=C[C@@]4(OC2)[C@@H]3C1,C30H46O2,,438.349780712,BFSRJRKZZSIEFP,Terpenoids,Triterpenoids,Oleanane triterpenoids,Viburnum odoratissimum var. awabuki,90825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Adoxaceae'],['Unknown'],['Viburnum'],['Viburnum awabuki'],5,3,7.585630655288696 109366,4387,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.262165,ISDB,KEOITPILCOILGM-ATMJNGMXSA-N,"InChI=1S/C41H66O12/c1-21-28(44)30(46)31(47)33(51-21)53-32-29(45)24(43)19-50-34(32)52-27-11-12-37(4)25(38(27,5)20-42)10-13-40(7)26(37)9-8-22-23-18-36(2,3)14-16-41(23,35(48)49)17-15-39(22,40)6/h8,21,23-34,42-47H,9-20H2,1-7H3,(H,48,49)/t21-,23+,24-,25+,26+,27-,28-,29-,30+,31+,32+,33-,34-,37-,38-,39+,40+,41-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C4[C@H]6CC(C)(C)CC[C@]6(C(=O)O)CC[C@]45C)[C@]3(C)CO)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C41H66O12,,750.455427552,KEOITPILCOILGM,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis chinensis,841986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis chinensis'],8,3,10.548660039901733 109367,4387,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.262165,ISDB,KEOITPILCOILGM-LLJOFIFVSA-N,"InChI=1S/C41H66O12/c1-21-28(44)30(46)31(47)33(51-21)53-32-29(45)24(43)19-50-34(32)52-27-11-12-37(4)25(38(27,5)20-42)10-13-40(7)26(37)9-8-22-23-18-36(2,3)14-16-41(23,35(48)49)17-15-39(22,40)6/h8,21,23-34,42-47H,9-20H2,1-7H3,(H,48,49)/t21-,23-,24-,25+,26+,27-,28-,29-,30+,31+,32+,33-,34-,37-,38-,39+,40+,41-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)CC[C@]6(C(=O)O)CC[C@]45C)[C@]3(C)CO)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C41H66O12,,750.4554275520003,KEOITPILCOILGM,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis tangutica,21285.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tangutica'],8,3,10.548660039901733 109368,4387,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.262165,ISDB,KEOITPILCOILGM-FCWYPSSHSA-N,"InChI=1S/C41H66O12/c1-21-28(44)30(46)31(47)33(51-21)53-32-29(45)24(43)19-50-34(32)52-27-11-12-37(4)25(38(27,5)20-42)10-13-40(7)26(37)9-8-22-23-18-36(2,3)14-16-41(23,35(48)49)17-15-39(22,40)6/h8,21,23-34,42-47H,9-20H2,1-7H3,(H,48,49)/t21-,23-,24+,25+,26+,27-,28-,29+,30-,31+,32-,33-,34+,37-,38-,39+,40+,41-/m0/s1",C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)CC[C@]6(C(=O)O)CC[C@]45C)[C@]3(C)CO)OC[C@@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O,C41H66O12,,750.455427552,KEOITPILCOILGM,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis tibetana,972666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tibetana'],8,3,10.548660039901733 109369,4387,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.262165,ISDB,KEOITPILCOILGM-LLJOFIFVSA-N,"InChI=1S/C41H66O12/c1-21-28(44)30(46)31(47)33(51-21)53-32-29(45)24(43)19-50-34(32)52-27-11-12-37(4)25(38(27,5)20-42)10-13-40(7)26(37)9-8-22-23-18-36(2,3)14-16-41(23,35(48)49)17-15-39(22,40)6/h8,21,23-34,42-47H,9-20H2,1-7H3,(H,48,49)/t21-,23-,24-,25+,26+,27-,28-,29-,30+,31+,32+,33-,34-,37-,38-,39+,40+,41-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)CC[C@]6(C(=O)O)CC[C@]45C)[C@]3(C)CO)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C41H66O12,,750.4554275520003,KEOITPILCOILGM,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis orientalis,594147.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis orientalis'],8,3,10.548660039901733 109353,4383,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.39524856,ISDB,ZNBLGYROZNSLLT-BQTIJYENSA-N,"InChI=1S/C35H54O7/c1-18(2)27-21-14-19(3)28-31(6)12-13-34-17-33(34)11-10-24(40-29-26(38)25(37)20(36)15-39-29)30(4,5)22(33)8-9-23(34)32(31,7)16-35(28,41-21)42-27/h19-29,36-38H,1,8-17H2,2-7H3/t19-,20-,21-,22+,23+,24+,25+,26-,27-,28-,29+,31-,32+,33-,34+,35-/m1/s1",C=C(C)[C@H]1O[C@]23C[C@@]4(C)[C@@H]5CC[C@H]6C(C)(C)[C@@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)CC[C@@]67C[C@@]57CC[C@]4(C)[C@H]2[C@H](C)C[C@H]1O3,C35H54O7,,586.3869540679999,ZNBLGYROZNSLLT,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Actaea asiatica,462241.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea asiatica'],6,2,8.580994248390198 108850,4379,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.33300343,ISDB,GUZAIURHRDPBKE-HIEJAJBWSA-N,"InChI=1S/C30H46O3/c1-17(2)18-9-12-22-29(18,7)25(33)16-28(6)19-10-11-21-26(3,4)23(31)13-14-27(21,5)20(19)15-24(32)30(22,28)8/h10,15,17-18,21-23,25,31,33H,9,11-14,16H2,1-8H3/t18-,21+,22-,23-,25-,27-,28-,29-,30-/m1/s1",CC(C)[C@H]1CC[C@@H]2[C@]1(C)[C@H](O)C[C@]1(C)C3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)C3=CC(=O)[C@@]21C,C30H46O3,,454.344695332,GUZAIURHRDPBKE,Terpenoids,Triterpenoids,Fernane and Arborinane triterpenoids,Lonicera gracilipes,920854.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera gracilipes'],7,2,9.332013726234436 108848,4378,297,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,SWGKAHCIOQPKFW-JTNORFRNSA-N,"InChI=1S/C13H12O9/c14-7-3-1-6(5-8(7)15)2-4-9(16)22-11(13(20)21)10(17)12(18)19/h1-5,10-11,14-15,17H,(H,18,19)(H,20,21)/b4-2+/t10-,11-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H](C(=O)O)[C@@H](O)C(=O)O,C13H12O9,pos_1_sodium,312.04813196399994,SWGKAHCIOQPKFW,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Hydrastis canadensis,1072050.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Hydrastis'],['Hydrastis canadensis'],6,3,7.5 108849,4378,297,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,SWGKAHCIOQPKFW-JTNORFRNSA-N,"InChI=1S/C13H12O9/c14-7-3-1-6(5-8(7)15)2-4-9(16)22-11(13(20)21)10(17)12(18)19/h1-5,10-11,14-15,17H,(H,18,19)(H,20,21)/b4-2+/t10-,11-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H](C(=O)O)[C@@H](O)C(=O)O,C13H12O9,pos_1_sodium,312.04813196399994,SWGKAHCIOQPKFW,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Hydrastis canadensis,1072050.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Hydrastis'],['Hydrastis canadensis'],6,3,7.5 108846,4377,-1,,,,0.0,MS1_match,HKMDHBXRMZEVHY-UHFFFAOYSA-N,"InChI=1S/C16H26O8/c1-7-8-3-4-16(2,9(8)6-22-14(7)21)24-15-13(20)12(19)11(18)10(5-17)23-15/h7-13,15,17-20H,3-6H2,1-2H3",CC1C(=O)OCC2C1CCC2(C)OC1OC(CO)C(O)C(O)C1O,C16H26O8,pos_1_1proton1ammonium,346.1627677919999,HKMDHBXRMZEVHY,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia scabra,68239.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia scabra'],6,0,6.0 108847,4377,-1,,,,0.0,MS1_match,PLSSBWGEYMENGJ-XLIFQNPRSA-N,"InChI=1S/C16H26O8/c1-7-2-3-9-8(5-22-15(21)11(7)9)6-23-16-14(20)13(19)12(18)10(4-17)24-16/h7-14,16-20H,2-6H2,1H3/t7-,8+,9+,10+,11+,12+,13+,14-,16+/m0/s1",C[C@H]1CC[C@@H]2[C@@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)COC(=O)[C@@H]21,C16H26O8,pos_1_1proton1ammonium,346.162767792,PLSSBWGEYMENGJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia villosa,971855.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia villosa'],6,0,6.0 108842,4376,-1,,,,0.41542822,ISDB,PCARJFWVFUEFLY-XMMPIXPASA-N,"InChI=1S/C24H27NO2/c1-15(2)8-7-12-24(4)13-11-18-21-19(14-16(3)23(18)27-24)17-9-6-10-20(26-5)22(17)25-21/h6,8-11,13-14,25H,7,12H2,1-5H3/t24-/m1/s1",COc1cccc2c1[nH]c1c3c(c(C)cc12)O[C@](C)(CCC=C(C)C)C=C3,C24H27NO2,,361.204179104,PCARJFWVFUEFLY,Alkaloids,Tryptophan alkaloids,Carbazole alkaloids,Murraya euchrestifolia,5233070.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Murraya'],['Murraya euchrestifolia'],4,0,5.661712884902954 108843,4376,-1,,,,0.41542822,ISDB,PCARJFWVFUEFLY-UHFFFAOYSA-N,"InChI=1S/C24H27NO2/c1-15(2)8-7-12-24(4)13-11-18-21-19(14-16(3)23(18)27-24)17-9-6-10-20(26-5)22(17)25-21/h6,8-11,13-14,25H,7,12H2,1-5H3",COc1cccc2c1[nH]c1c3c(c(C)cc12)OC(C)(CCC=C(C)C)C=C3,C24H27NO2,,361.2041791040001,PCARJFWVFUEFLY,Alkaloids,Tryptophan alkaloids,Carbazole alkaloids,Murraya koenigii,321836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Bergera'],['Bergera koenigii'],4,0,5.661712884902954 108839,4374,-1,,,,0.4128893,ISDB,BIXCWCVYGIQELL-QURGRASLSA-N,"InChI=1S/C32H58N2O7/c1-6-7-8-9-10-11-12-13-14-15-16-20-27(35)41-26(22-21-24(2)3)28(36)29(37)30(40-5)31(38)33-25-19-17-18-23-34(4)32(25)39/h21-22,24-26,28-30,36-37H,6-20,23H2,1-5H3,(H,33,38)/b22-21+",CCCCCCCCCCCCCC(=O)OC(/C=C/C(C)C)C(O)C(O)C(OC)C(=O)NC1CCCCN(C)C1=O,C32H58N2O7,,582.424402196,BIXCWCVYGIQELL,Amino acids and Peptides,Oligopeptides,Lipopeptides,Rhabdastrella globostellata,583165.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Tetractinellida'],['Ancorinidae'],['Unknown'],['Rhabdastrella'],['Rhabdastrella globostellata'],1,0,2.651557207107544 108807,4373,694,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.43276605,ISDB,IPRPPFIAVHPVJH-UHFFFAOYSA-N,"InChI=1S/C8H8O2/c9-6-5-7-1-3-8(10)4-2-7/h1-4,6,10H,5H2",O=CCc1ccc(O)cc1,C8H8O2,,136.052429496,IPRPPFIAVHPVJH,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis parviloba,5737758.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis parviloba'],8,1,10.231064200401306 108798,4370,-1,,,,0.0,MS1_match,YGSBJLPWANWGED-HYXYOFMCSA-N,"InChI=1S/C48H78O18/c1-22-30(52)32(54)35(57)40(62-22)65-38-25(19-49)63-39(37(59)34(38)56)61-20-26-31(53)33(55)36(58)41(64-26)66-42(60)48-16-14-43(2,3)18-24(48)23-8-9-28-44(4)12-11-29(51)45(5,21-50)27(44)10-13-47(28,7)46(23,6)15-17-48/h8,22,24-41,49-59H,9-21H2,1-7H3/t22-,24-,25+,26+,27+,28+,29-,30-,31+,32+,33-,34+,35+,36+,37+,38+,39+,40-,41-,44-,45-,46+,47+,48-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C4=CC[C@@H]6[C@@]7(C)CC[C@H](O)[C@@](C)(CO)[C@@H]7CC[C@@]6(C)[C@]4(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O,C48H78O18,pos_1_1proton1ammonium,942.5188156560004,YGSBJLPWANWGED,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis tibetana,972666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tibetana'],8,0,8.0 108799,4370,-1,,,,0.0,MS1_match,YGSBJLPWANWGED-HYXYOFMCSA-N,"InChI=1S/C48H78O18/c1-22-30(52)32(54)35(57)40(62-22)65-38-25(19-49)63-39(37(59)34(38)56)61-20-26-31(53)33(55)36(58)41(64-26)66-42(60)48-16-14-43(2,3)18-24(48)23-8-9-28-44(4)12-11-29(51)45(5,21-50)27(44)10-13-47(28,7)46(23,6)15-17-48/h8,22,24-41,49-59H,9-21H2,1-7H3/t22-,24-,25+,26+,27+,28+,29-,30-,31+,32+,33-,34+,35+,36+,37+,38+,39+,40-,41-,44-,45-,46+,47+,48-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C4=CC[C@@H]6[C@@]7(C)CC[C@H](O)[C@@](C)(CO)[C@@H]7CC[C@@]6(C)[C@]4(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O,C48H78O18,pos_1_1proton1ammonium,942.5188156560004,YGSBJLPWANWGED,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis chinensis,841986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis chinensis'],8,0,8.0 108800,4370,-1,,,,0.0,MS1_match,YGSBJLPWANWGED-HYXYOFMCSA-N,"InChI=1S/C48H78O18/c1-22-30(52)32(54)35(57)40(62-22)65-38-25(19-49)63-39(37(59)34(38)56)61-20-26-31(53)33(55)36(58)41(64-26)66-42(60)48-16-14-43(2,3)18-24(48)23-8-9-28-44(4)12-11-29(51)45(5,21-50)27(44)10-13-47(28,7)46(23,6)15-17-48/h8,22,24-41,49-59H,9-21H2,1-7H3/t22-,24-,25+,26+,27+,28+,29-,30-,31+,32+,33-,34+,35+,36+,37+,38+,39+,40-,41-,44-,45-,46+,47+,48-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C4=CC[C@@H]6[C@@]7(C)CC[C@H](O)[C@@](C)(CO)[C@@H]7CC[C@@]6(C)[C@]4(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O,C48H78O18,pos_1_1proton1ammonium,942.5188156560004,YGSBJLPWANWGED,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis,964052.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Unknown'],8,0,8.0 108796,4361,-1,,,,0.0,MS1_match,ZVIQIPQKRVKNLN-GZMMTYOYSA-N,"InChI=1S/C12H16O7/c13-5-8(14)6-19-12(18)11(17)4-7-1-2-9(15)10(16)3-7/h1-3,8,11,13-17H,4-6H2/t8-,11+/m0/s1",O=C(OC[C@@H](O)CO)[C@H](O)Cc1ccc(O)c(O)c1,C12H16O7,pos_1_1proton1acetonitrile,272.089602852,ZVIQIPQKRVKNLN,Shikimates and Phenylpropanoids,,,Ranunculus cantoniensis,118756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus cantoniensis'],6,0,6.0 108797,4361,-1,,,,0.0,MS1_match,ZVIQIPQKRVKNLN-GZMMTYOYSA-N,"InChI=1S/C12H16O7/c13-5-8(14)6-19-12(18)11(17)4-7-1-2-9(15)10(16)3-7/h1-3,8,11,13-17H,4-6H2/t8-,11+/m0/s1",O=C(OC[C@@H](O)CO)[C@H](O)Cc1ccc(O)c(O)c1,C12H16O7,pos_1_1proton1acetonitrile,272.089602852,ZVIQIPQKRVKNLN,Shikimates and Phenylpropanoids,,,Ranunculus chinensis,162150.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus chinensis'],6,0,6.0 108795,4360,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,ULSUXBXHSYSGDT-UHFFFAOYSA-N,"InChI=1S/C20H20O7/c1-22-12-8-6-11(7-9-12)14-10-13(21)15-16(23-2)18(24-3)20(26-5)19(25-4)17(15)27-14/h6-10H,1-5H3",COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc1,C20H20O7,pos_1_1proton2acetonitrile,372.1209029799999,ULSUXBXHSYSGDT,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Clematis hexapetala,226633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis hexapetala'],8,0,8.0 108702,4358,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.3680446,ISDB,FJCQUJKUMKZEMH-UHFFFAOYSA-N,"InChI=1S/C14H22O/c1-11(10-15)7-8-13-12(2)6-5-9-14(13,3)4/h7,10H,5-6,8-9H2,1-4H3",CC(C=O)=CCC1=C(C)CCCC1(C)C,C14H22O,,206.167065324,FJCQUJKUMKZEMH,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,1,7.9721784591674805 108691,4357,-1,,,,0.0,MS1_match,KNFOHFRALRKTOJ-SAOYRWCPSA-N,"InChI=1S/C26H34O11/c1-33-19-8-13(3-5-17(19)29)7-15-12-35-25(16(15)10-27)14-4-6-18(20(9-14)34-2)36-26-24(32)23(31)22(30)21(11-28)37-26/h3-6,8-9,15-16,21-32H,7,10-12H2,1-2H3/t15-,16-,21+,22+,23-,24+,25+,26+/m0/s1",COc1cc(C[C@H]2CO[C@H](c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c3)[C@H]2CO)ccc1O,C26H34O11,pos_1_1potassium,522.2101119079998,KNFOHFRALRKTOJ,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Clematis stans,21283.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis stans'],8,0,8.0 108692,4357,-1,,,,0.0,MS1_match,KNFOHFRALRKTOJ-DTIHIKGDSA-N,"InChI=1S/C26H34O11/c1-33-19-8-13(3-5-17(19)29)7-15-12-35-25(16(15)10-27)14-4-6-18(20(9-14)34-2)36-26-24(32)23(31)22(30)21(11-28)37-26/h3-6,8-9,15-16,21-32H,7,10-12H2,1-2H3/t15-,16-,21-,22-,23+,24-,25+,26-/m1/s1",COc1cc(C[C@@H]2CO[C@@H](c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c3)[C@@H]2CO)ccc1O,C26H34O11,pos_1_1potassium,522.2101119079998,KNFOHFRALRKTOJ,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Clematis hexapetala,226633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis hexapetala'],8,0,8.0 108693,4357,-1,,,,0.0,MS1_match,GAYKAIAESJROGN-SAOYRWCPSA-N,"InChI=1S/C26H34O11/c1-33-19-9-14(4-5-17(19)29)25-16(10-27)15(12-35-25)7-13-3-6-18(20(8-13)34-2)36-26-24(32)23(31)22(30)21(11-28)37-26/h3-6,8-9,15-16,21-32H,7,10-12H2,1-2H3/t15-,16-,21+,22+,23-,24+,25+,26+/m0/s1",COc1cc([C@H]2OC[C@H](Cc3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c3)[C@@H]2CO)ccc1O,C26H34O11,pos_1_1potassium,522.2101119079998,GAYKAIAESJROGN,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Clematis stans,21283.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis stans'],8,0,8.0 108694,4357,-1,,,,0.0,MS1_match,GAYKAIAESJROGN-DTIHIKGDSA-N,"InChI=1S/C26H34O11/c1-33-19-9-14(4-5-17(19)29)25-16(10-27)15(12-35-25)7-13-3-6-18(20(8-13)34-2)36-26-24(32)23(31)22(30)21(11-28)37-26/h3-6,8-9,15-16,21-32H,7,10-12H2,1-2H3/t15-,16-,21-,22-,23+,24-,25+,26-/m1/s1",COc1cc([C@@H]2OC[C@@H](Cc3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c3)[C@H]2CO)ccc1O,C26H34O11,pos_1_1potassium,522.210111908,GAYKAIAESJROGN,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Clematis hexapetala,226633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis hexapetala'],8,0,8.0 108695,4357,-1,,,,0.0,MS1_match,GAYKAIAESJROGN-SAOYRWCPSA-N,"InChI=1S/C26H34O11/c1-33-19-9-14(4-5-17(19)29)25-16(10-27)15(12-35-25)7-13-3-6-18(20(8-13)34-2)36-26-24(32)23(31)22(30)21(11-28)37-26/h3-6,8-9,15-16,21-32H,7,10-12H2,1-2H3/t15-,16-,21+,22+,23-,24+,25+,26+/m0/s1",COc1cc([C@H]2OC[C@H](Cc3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c3)[C@@H]2CO)ccc1O,C26H34O11,pos_1_1potassium,522.2101119079998,GAYKAIAESJROGN,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Clematis stans,21283.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis stans'],8,0,8.0 108696,4357,-1,,,,0.0,MS1_match,GAYKAIAESJROGN-DTIHIKGDSA-N,"InChI=1S/C26H34O11/c1-33-19-9-14(4-5-17(19)29)25-16(10-27)15(12-35-25)7-13-3-6-18(20(8-13)34-2)36-26-24(32)23(31)22(30)21(11-28)37-26/h3-6,8-9,15-16,21-32H,7,10-12H2,1-2H3/t15-,16-,21-,22-,23+,24-,25+,26-/m1/s1",COc1cc([C@@H]2OC[C@@H](Cc3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c3)[C@H]2CO)ccc1O,C26H34O11,pos_1_1potassium,522.210111908,GAYKAIAESJROGN,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Clematis hexapetala,226633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis hexapetala'],8,0,8.0 108684,4353,-1,,,,0.0,MS1_match,GMYLPJSOUAYAGD-UHFFFAOYSA-N,"InChI=1S/C29H32O16/c1-10-19(33)22(36)24(38)28(41-10)42-14-7-15(32)18-16(8-14)43-26(12-3-5-13(31)6-4-12)27(21(18)35)45-29-25(39)23(37)20(34)17(44-29)9-40-11(2)30/h3-8,10,17,19-20,22-25,28-29,31-34,36-39H,9H2,1-2H3",CC(=O)OCC1OC(Oc2c(-c3ccc(O)cc3)oc3cc(OC4OC(C)C(O)C(O)C4O)cc(O)c3c2=O)C(O)C(O)C1O,C29H32O16,pos_2_1proton1sodium,636.169034944,GMYLPJSOUAYAGD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Delphinium formosum,3944990.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium formosum'],6,0,6.0 108685,4353,-1,,,,0.0,MS1_match,RVQHAYGFBOZFPZ-LSHVOLAESA-N,"InChI=1S/C29H32O16/c1-11(31)40-10-20-23(35)25(37)27(39)29(45-20)42-14-6-15(32)21-16(33)8-17(43-18(21)7-14)12-2-4-13(5-3-12)41-28-26(38)24(36)22(34)19(9-30)44-28/h2-8,19-20,22-30,32,34-39H,9-10H2,1H3/t19-,20-,22-,23-,24-,25-,26-,27-,28-,29-/m1/s1",CC(=O)OC[C@H]1O[C@@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]5O)cc4)oc3c2)[C@H](O)[C@H](O)[C@@H]1O,C29H32O16,pos_2_1proton1sodium,636.169034944,RVQHAYGFBOZFPZ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Thalictrum squarrosum,451574.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum squarrosum'],6,0,6.0 108686,4353,-1,,,,0.0,MS1_match,RVQHAYGFBOZFPZ-LSHVOLAESA-N,"InChI=1S/C29H32O16/c1-11(31)40-10-20-23(35)25(37)27(39)29(45-20)42-14-6-15(32)21-16(33)8-17(43-18(21)7-14)12-2-4-13(5-3-12)41-28-26(38)24(36)22(34)19(9-30)44-28/h2-8,19-20,22-30,32,34-39H,9-10H2,1H3/t19-,20-,22-,23-,24-,25-,26-,27-,28-,29-/m1/s1",CC(=O)OC[C@H]1O[C@@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]5O)cc4)oc3c2)[C@H](O)[C@H](O)[C@@H]1O,C29H32O16,pos_2_1proton1sodium,636.169034944,RVQHAYGFBOZFPZ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Thalictrum minus,491705.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum minus'],6,0,6.0 108687,4353,-1,,,,0.0,MS1_match,SWGKAHCIOQPKFW-JTNORFRNSA-N,"InChI=1S/C13H12O9/c14-7-3-1-6(5-8(7)15)2-4-9(16)22-11(13(20)21)10(17)12(18)19/h1-5,10-11,14-15,17H,(H,18,19)(H,20,21)/b4-2+/t10-,11-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H](C(=O)O)[C@@H](O)C(=O)O,C13H12O9,pos_1_1proton1ammonium,312.04813196399994,SWGKAHCIOQPKFW,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Hydrastis canadensis,1072050.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Hydrastis'],['Hydrastis canadensis'],6,0,6.0 108688,4353,-1,,,,0.0,MS1_match,SWGKAHCIOQPKFW-JTNORFRNSA-N,"InChI=1S/C13H12O9/c14-7-3-1-6(5-8(7)15)2-4-9(16)22-11(13(20)21)10(17)12(18)19/h1-5,10-11,14-15,17H,(H,18,19)(H,20,21)/b4-2+/t10-,11-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H](C(=O)O)[C@@H](O)C(=O)O,C13H12O9,pos_1_1proton1ammonium,312.04813196399994,SWGKAHCIOQPKFW,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Hydrastis canadensis,1072050.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Hydrastis'],['Hydrastis canadensis'],6,0,6.0 108689,4353,-1,,,,0.0,MS1_match,JOBWUMLSLUCCJM-OHJXWDBTSA-N,"InChI=1S/C27H34O16/c1-10-4-12(29)17-13(30)5-14-11(24(17)41-10)2-3-27(37,8-39-14)9-40-26-23(36)21(34)19(32)16(43-26)7-38-25-22(35)20(33)18(31)15(6-28)42-25/h2-5,15-16,18-23,25-26,28,30-37H,6-9H2,1H3/t15-,16-,18-,19-,20+,21+,22-,23-,25-,26-,27+/m1/s1",Cc1cc(=O)c2c(O)cc3c(c2o1)C=C[C@@](O)(CO[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)CO3,C27H34O16,pos_2_2sodium,614.184685008,JOBWUMLSLUCCJM,Polyketides,Chromanes,Chromones,Eranthis hyemalis,756503.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Eranthis'],['Eranthis hyemalis'],6,0,6.0 108690,4353,-1,,,,0.0,MS1_match,JOBWUMLSLUCCJM-OHJXWDBTSA-N,"InChI=1S/C27H34O16/c1-10-4-12(29)17-13(30)5-14-11(24(17)41-10)2-3-27(37,8-39-14)9-40-26-23(36)21(34)19(32)16(43-26)7-38-25-22(35)20(33)18(31)15(6-28)42-25/h2-5,15-16,18-23,25-26,28,30-37H,6-9H2,1H3/t15-,16-,18-,19-,20+,21+,22-,23-,25-,26-,27+/m1/s1",Cc1cc(=O)c2c(O)cc3c(c2o1)C=C[C@@](O)(CO[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)CO3,C27H34O16,pos_2_2sodium,614.184685008,JOBWUMLSLUCCJM,Polyketides,Chromanes,Chromones,Eranthis cilicica,5922989.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Eranthis'],['Eranthis cilicica'],6,0,6.0 108683,4351,860,Shikimates and Phenylpropanoids,Aromatic polyketides,Griseofulvins,0.5045677,ISDB,ITENTBHADJNDDH-DJTMHQFBSA-N,"InChI=1S/C16H16O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,19,21,24H,6-7H2,(H,22,23)/b4-2-/t11-,12-,14+,16-/m1/s1",O=C(/C=C\C1=CC(=O)C(=O)C=C1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H16O9,,352.079432092,ITENTBHADJNDDH,Shikimates and Phenylpropanoids,,,Cynara cardunculus,991885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],4,1,6.51827073097229 108681,4349,25,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.27282435,ISDB,,,,,,,ADHNYKZHPOEULM,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.0912973880767822 108680,4345,-1,,,,0.0,MS1_match,PBLWZMSRSJTRHJ-NCIRKIHRSA-N,"InChI=1S/C32H44O16/c1-42-20-8-14(3-5-18(20)45-31-28(40)26(38)24(36)22(11-34)47-31)7-16-13-44-30(17(16)10-33)15-4-6-19(21(9-15)43-2)46-32-29(41)27(39)25(37)23(12-35)48-32/h3-6,8-9,16-17,22-41H,7,10-13H2,1-2H3/t16-,17-,22+,23+,24+,25+,26-,27-,28+,29+,30+,31+,32+/m0/s1",COc1cc(C[C@H]2CO[C@H](c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c3)[C@H]2CO)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C32H44O16,pos_1_sodium,684.262935328,PBLWZMSRSJTRHJ,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Clematis stans,21283.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis stans'],8,0,8.0 108678,4344,1770,Fatty acids,Fatty Acids and Conjugates,,0.0,MS1_match,RKMQRPYLPSKVNS-UHFFFAOYSA-N,"InChI=1S/C6H10O4/c1-10-6(9)3-2-5(8)4-7/h7H,2-4H2,1H3",COC(=O)CCC(=O)CO,C6H10O4,pos_1_1proton1acetonitrile,146.0579088,RKMQRPYLPSKVNS,Fatty acids,Fatty Acids and Conjugates,,Clematis delavayi,72769.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis delavayi'],8,2,9.0 108676,4340,25,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.36094463,ISDB,ILKCZSIFTWFKAX-HEUMWBDUSA-N,"InChI=1S/C12H20O9/c13-3-6-8(17)9(18)10(19)12(20-6)21-11-5(15)2-1-4(14)7(11)16/h1-2,4-19H,3H2/t4-,5+,6+,7-,8+,9-,10+,11-,12-/m0/s1",OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)C=C[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,C12H20O9,,308.11073222,ILKCZSIFTWFKAX,Carbohydrates,Saccharides,,Vincetoxicum tanakae,204104.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Asclepiadeae'],['Vincetoxicum'],['Vincetoxicum tanakae'],4,0,5.4437785148620605 108672,4339,1270,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,JGXFMIJHKASCIZ-LDBVRRDLSA-N,"InChI=1S/C23H24O12/c1-31-15-3-9(4-16(32-2)19(15)27)13-7-12(26)18-11(25)5-10(6-14(18)34-13)33-23-22(30)21(29)20(28)17(8-24)35-23/h3-7,17,20-25,27-30H,8H2,1-2H3/t17-,20-,21+,22-,23-/m1/s1",COc1cc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc(OC)c1O,C23H24O12,pos_1_1proton1ammonium,492.1267762079998,JGXFMIJHKASCIZ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Ranunculus sieboldii,685187.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus sieboldii'],6,3,7.5 108673,4339,1270,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,JGXFMIJHKASCIZ-LQLJJDJVSA-N,"InChI=1S/C23H24O12/c1-31-15-3-9(4-16(32-2)19(15)27)13-7-12(26)18-11(25)5-10(6-14(18)34-13)33-23-22(30)21(29)20(28)17(8-24)35-23/h3-7,17,20-25,27-30H,8H2,1-2H3/t17-,20+,21-,22+,23+/m0/s1",COc1cc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc(OC)c1O,C23H24O12,pos_1_1proton1ammonium,492.126776208,JGXFMIJHKASCIZ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Ranunculus japonicus,140131.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus japonicus'],6,3,7.5 108674,4339,1270,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,JGXFMIJHKASCIZ-LDBVRRDLSA-N,"InChI=1S/C23H24O12/c1-31-15-3-9(4-16(32-2)19(15)27)13-7-12(26)18-11(25)5-10(6-14(18)34-13)33-23-22(30)21(29)20(28)17(8-24)35-23/h3-7,17,20-25,27-30H,8H2,1-2H3/t17-,20-,21+,22-,23-/m1/s1",COc1cc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc(OC)c1O,C23H24O12,pos_1_1proton1ammonium,492.1267762079998,JGXFMIJHKASCIZ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Ranunculus sieboldii,685187.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus sieboldii'],6,3,7.5 108675,4339,1270,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,JGXFMIJHKASCIZ-LQLJJDJVSA-N,"InChI=1S/C23H24O12/c1-31-15-3-9(4-16(32-2)19(15)27)13-7-12(26)18-11(25)5-10(6-14(18)34-13)33-23-22(30)21(29)20(28)17(8-24)35-23/h3-7,17,20-25,27-30H,8H2,1-2H3/t17-,20+,21-,22+,23+/m0/s1",COc1cc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc(OC)c1O,C23H24O12,pos_1_1proton1ammonium,492.126776208,JGXFMIJHKASCIZ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Ranunculus japonicus,140131.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus japonicus'],6,3,7.5 108662,4338,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,BMRSEYFENKXDIS-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O8,pos_1_1proton,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 108663,4338,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,BMRSEYFENKXDIS-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O8,pos_1_1proton,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 108645,4337,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,ZNFRITHWVZXJRK-YHFBEQRYSA-N,"InChI=1S/C36H58O8/c1-31(2)14-16-36(30(41)42)17-15-34(6)20(21(36)18-31)8-9-24-33(5)12-11-25(32(3,4)23(33)10-13-35(24,34)7)44-29-28(40)27(39)26(38)22(19-37)43-29/h8,21-29,37-40H,9-19H2,1-7H3,(H,41,42)/t21-,22+,23-,24+,25-,26+,27-,28+,29-,33-,34+,35+,36-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C36H58O8,pos_1_1proton,618.413168816,ZNFRITHWVZXJRK,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis grata,5922971.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis grata'],8,3,9.5 108643,4336,432,Polyketides,Glycerolipids,Glycosyldiacylglycerols,0.4101029,ISDB,NGOSGEYHKQYUTN-XIBKBKGSSA-N,"InChI=1S/C48H84N2O17/c1-18-34-48(13,58)41(56)25(4)37(53)23(2)21-46(11,67-35-20-33(50(16)17)38(54)28(7)60-35)42(65-45-39(55)32(49(14)15)19-24(3)59-45)26(5)40(27(6)44(57)63-34)64-36-22-47(12,66-31(10)52)43(29(8)61-36)62-30(9)51/h23-29,32-36,38-43,45,54-56,58H,18-22H2,1-17H3/t23-,24-,25+,26+,27-,28+,29+,32+,33-,34-,35+,36+,38+,39-,40+,41-,42-,43+,45+,46-,47-,48-/m1/s1",CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC(C)=O)[C@@H](OC(C)=O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O[C@H]2C[C@@H](N(C)C)[C@@H](O)[C@H](C)O2)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O,C48H84N2O17,,960.576999228,NGOSGEYHKQYUTN,Polyketides,Macrolides,Erythromycins,Micromonospora megalomicea,75928.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Micromonospora megalomicea'],0,1,2.140411615371704 108640,4335,53,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,HTKODPPFQUGBMU-GQJRUFTLSA-N,"InChI=1S/C19H30O8/c1-9(20)25-11-7-8-17(5,24)19-14(22)12(16(3,4)27-19)13(26-10(2)21)15(23)18(11,19)6/h11-15,22-24H,7-8H2,1-6H3/t11-,12+,13-,14+,15-,17-,18-,19-/m0/s1",CC(=O)O[C@H]1[C@@H]2[C@@H](O)[C@@]3(OC2(C)C)[C@@](C)([C@@H](OC(C)=O)CC[C@]3(C)O)[C@H]1O,C19H30O8,pos_1_1proton1ammonium,386.1940679199999,HTKODPPFQUGBMU,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Celastrus vulcanicolus,458835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Celastrus'],['Celastrus vulcanicola'],6,1,6.5 108641,4335,53,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,HTKODPPFQUGBMU-GQJRUFTLSA-N,"InChI=1S/C19H30O8/c1-9(20)25-11-7-8-17(5,24)19-14(22)12(16(3,4)27-19)13(26-10(2)21)15(23)18(11,19)6/h11-15,22-24H,7-8H2,1-6H3/t11-,12+,13-,14+,15-,17-,18-,19-/m0/s1",CC(=O)O[C@H]1[C@@H]2[C@@H](O)[C@@]3(OC2(C)C)[C@@](C)([C@@H](OC(C)=O)CC[C@]3(C)O)[C@H]1O,C19H30O8,pos_1_1proton1ammonium,386.1940679199999,HTKODPPFQUGBMU,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Celastrus vulcanicola,458835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Celastrus'],['Celastrus vulcanicola'],6,1,6.5 108639,4334,137,Terpenoids,Sesquiterpenoids,Wax monoesters,0.0,MS1_match,AAQRLPMQWQNFFZ-SYHUXOJYSA-N,"InChI=1S/C20H26O5/c1-15(2)14-19(21)24-13-11-16(3)20(22)25-12-5-6-17-7-9-18(23-4)10-8-17/h5-11,15H,12-14H2,1-4H3/b6-5+,16-11-",COc1ccc(/C=C/COC(=O)/C(C)=C\COC(=O)CC(C)C)cc1,C20H26O5,pos_1_sodium,346.178023932,AAQRLPMQWQNFFZ,Fatty acids,Fatty esters,Wax monoesters,Morina chinensis,68249.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Morina'],['Morina chinensis'],6,3,7.5 108637,4332,694,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Scabiosa comosa,984352.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Scabiosa'],['Scabiosa comosa'],6,3,7.5 108553,4331,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.2486542,ISDB,KEOITPILCOILGM-ATMJNGMXSA-N,"InChI=1S/C41H66O12/c1-21-28(44)30(46)31(47)33(51-21)53-32-29(45)24(43)19-50-34(32)52-27-11-12-37(4)25(38(27,5)20-42)10-13-40(7)26(37)9-8-22-23-18-36(2,3)14-16-41(23,35(48)49)17-15-39(22,40)6/h8,21,23-34,42-47H,9-20H2,1-7H3,(H,48,49)/t21-,23+,24-,25+,26+,27-,28-,29-,30+,31+,32+,33-,34-,37-,38-,39+,40+,41-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C4[C@H]6CC(C)(C)CC[C@]6(C(=O)O)CC[C@]45C)[C@]3(C)CO)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C41H66O12,,750.455427552,KEOITPILCOILGM,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis chinensis,841986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis chinensis'],8,3,10.49461680650711 108554,4331,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.2486542,ISDB,KEOITPILCOILGM-LLJOFIFVSA-N,"InChI=1S/C41H66O12/c1-21-28(44)30(46)31(47)33(51-21)53-32-29(45)24(43)19-50-34(32)52-27-11-12-37(4)25(38(27,5)20-42)10-13-40(7)26(37)9-8-22-23-18-36(2,3)14-16-41(23,35(48)49)17-15-39(22,40)6/h8,21,23-34,42-47H,9-20H2,1-7H3,(H,48,49)/t21-,23-,24-,25+,26+,27-,28-,29-,30+,31+,32+,33-,34-,37-,38-,39+,40+,41-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)CC[C@]6(C(=O)O)CC[C@]45C)[C@]3(C)CO)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C41H66O12,,750.4554275520003,KEOITPILCOILGM,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis tangutica,21285.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tangutica'],8,3,10.49461680650711 108555,4331,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.2486542,ISDB,KEOITPILCOILGM-FCWYPSSHSA-N,"InChI=1S/C41H66O12/c1-21-28(44)30(46)31(47)33(51-21)53-32-29(45)24(43)19-50-34(32)52-27-11-12-37(4)25(38(27,5)20-42)10-13-40(7)26(37)9-8-22-23-18-36(2,3)14-16-41(23,35(48)49)17-15-39(22,40)6/h8,21,23-34,42-47H,9-20H2,1-7H3,(H,48,49)/t21-,23-,24+,25+,26+,27-,28-,29+,30-,31+,32-,33-,34+,37-,38-,39+,40+,41-/m0/s1",C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)CC[C@]6(C(=O)O)CC[C@]45C)[C@]3(C)CO)OC[C@@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O,C41H66O12,,750.455427552,KEOITPILCOILGM,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis tibetana,972666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tibetana'],8,3,10.49461680650711 108556,4331,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.2486542,ISDB,KEOITPILCOILGM-LLJOFIFVSA-N,"InChI=1S/C41H66O12/c1-21-28(44)30(46)31(47)33(51-21)53-32-29(45)24(43)19-50-34(32)52-27-11-12-37(4)25(38(27,5)20-42)10-13-40(7)26(37)9-8-22-23-18-36(2,3)14-16-41(23,35(48)49)17-15-39(22,40)6/h8,21,23-34,42-47H,9-20H2,1-7H3,(H,48,49)/t21-,23-,24-,25+,26+,27-,28-,29-,30+,31+,32+,33-,34-,37-,38-,39+,40+,41-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)CC[C@]6(C(=O)O)CC[C@]45C)[C@]3(C)CO)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C41H66O12,,750.4554275520003,KEOITPILCOILGM,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis orientalis,594147.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis orientalis'],8,3,10.49461680650711 108542,4330,25,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.2722218,ISDB,SCLGLFRXJNHKQZ-GIBQNNFTSA-N,"InChI=1S/C12H20O8/c1-5-8(14)6(2-3-18-5)19-12-11(17)10(16)9(15)7(4-13)20-12/h2-3,5-17H,4H2,1H3/t5-,6-,7+,8-,9+,10-,11+,12+/m0/s1",C[C@@H]1OC=C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C12H20O8,,292.1158176,SCLGLFRXJNHKQZ,,,,Saponaria officinalis,842209.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Caryophylleae'],['Saponaria'],['Saponaria officinalis'],4,0,5.0888872146606445 108543,4330,25,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.2722218,ISDB,SCLGLFRXJNHKQZ-XFLMTTEOSA-N,"InChI=1S/C12H20O8/c1-5-8(14)6(2-3-18-5)19-12-11(17)10(16)9(15)7(4-13)20-12/h2-3,5-17H,4H2,1H3/t5-,6-,7+,8+,9+,10-,11+,12+/m0/s1",C[C@@H]1OC=C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O,C12H20O8,,292.1158176,SCLGLFRXJNHKQZ,,,,Dianthus deltoides,188564.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Caryophylleae'],['Dianthus'],['Dianthus deltoides'],4,0,5.0888872146606445 108544,4330,25,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.2722218,ISDB,SCLGLFRXJNHKQZ-XFLMTTEOSA-N,"InChI=1S/C12H20O8/c1-5-8(14)6(2-3-18-5)19-12-11(17)10(16)9(15)7(4-13)20-12/h2-3,5-17H,4H2,1H3/t5-,6-,7+,8+,9+,10-,11+,12+/m0/s1",C[C@@H]1OC=C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O,C12H20O8,,292.1158176,SCLGLFRXJNHKQZ,,,,Dianthus barbatus,590078.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Caryophylleae'],['Dianthus'],['Dianthus barbatus'],4,0,5.0888872146606445 108545,4330,25,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.2722218,ISDB,SCLGLFRXJNHKQZ-FYKVHUBJSA-N,"InChI=1S/C12H20O8/c1-5-8(14)6(2-3-18-5)19-12-11(17)10(16)9(15)7(4-13)20-12/h2-3,5-17H,4H2,1H3/t5-,6-,7-,8-,9-,10+,11-,12-/m1/s1",C[C@H]1OC=C[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O,C12H20O8,,292.1158176,SCLGLFRXJNHKQZ,,,,Dianthus longicalyx,904393.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Caryophylleae'],['Dianthus'],['Dianthus longicalyx'],4,0,5.0888872146606445 108508,4323,-1,,,,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1potassium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera implexa,692207.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera implexa'],8,0,8.0 108509,4323,-1,,,,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1potassium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera implexa,692207.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera implexa'],8,0,8.0 108507,4322,345,Shikimates and Phenylpropanoids,Lignans,Naphthalenes and derivatives,0.0,MS1_match,PBLWZMSRSJTRHJ-NCIRKIHRSA-N,"InChI=1S/C32H44O16/c1-42-20-8-14(3-5-18(20)45-31-28(40)26(38)24(36)22(11-34)47-31)7-16-13-44-30(17(16)10-33)15-4-6-19(21(9-15)43-2)46-32-29(41)27(39)25(37)23(12-35)48-32/h3-6,8-9,16-17,22-41H,7,10-13H2,1-2H3/t16-,17-,22+,23+,24+,25+,26-,27-,28+,29+,30+,31+,32+/m0/s1",COc1cc(C[C@H]2CO[C@H](c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c3)[C@H]2CO)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C32H44O16,pos_1_1proton1ammonium,684.262935328,PBLWZMSRSJTRHJ,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Clematis stans,21283.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis stans'],8,2,9.0 108404,4320,238,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ODBRNZZJSYPIDI-VJXVFPJBSA-N,"InChI=1S/C21H20O11/c22-6-14-17(27)19(29)20(30)21(32-14)16-11(26)5-13-15(18(16)28)10(25)4-12(31-13)7-1-2-8(23)9(24)3-7/h1-5,14,17,19-24,26-30H,6H2/t14-,17-,19+,20-,21+/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12,C21H20O11,pos_1_sodium,448.10056145999977,ODBRNZZJSYPIDI,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Clematis rehderiana,289952.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis rehderiana'],8,1,8.5 108405,4320,238,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ODBRNZZJSYPIDI-VJXVFPJBSA-N,"InChI=1S/C21H20O11/c22-6-14-17(27)19(29)20(30)21(32-14)16-11(26)5-13-15(18(16)28)10(25)4-12(31-13)7-1-2-8(23)9(24)3-7/h1-5,14,17,19-24,26-30H,6H2/t14-,17-,19+,20-,21+/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12,C21H20O11,pos_1_sodium,448.10056145999977,ODBRNZZJSYPIDI,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Clematis rehderiana,289952.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis rehderiana'],8,1,8.5 108406,4320,238,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_sodium,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Clematis terniflora,21289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis terniflora'],8,1,8.5 108407,4320,238,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_sodium,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Clematis terniflora,21289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis terniflora'],8,1,8.5 108408,4320,238,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_sodium,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Clematis terniflora,21289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis terniflora'],8,1,8.5 108368,4319,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.4803054,ISDB,CMXCLTFHXRTSPB-WIXFNSMHSA-N,"InChI=1S/C30H44O2/c1-18(2)9-7-10-19(3)23-14-22-16-30(25(23)13-21(22)5)26-15-24-20(4)11-8-12-29(24,6)17-27(26)32-28(30)31/h9,13,15,19-20,22-23,25-27H,7-8,10-12,14,16-17H2,1-6H3/t19-,20-,22+,23-,25-,26-,27+,29+,30-/m0/s1",CC(C)=CCC[C@H](C)[C@@H]1C[C@@H]2C[C@]3(C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)C5=C[C@@H]43)[C@H]1C=C2C,C30H44O2,,436.334130648,CMXCLTFHXRTSPB,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Helenium autumnale,483908.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Helenieae'],['Helenium'],['Helenium autumnale'],4,2,6.921221613883972 107868,4316,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.41463667,ISDB,FMIMFCRXYXVFTA-FUAOEXFOSA-N,"InChI=1S/C30H46O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-22H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H46O3,,454.344695332,FMIMFCRXYXVFTA,Terpenoids,Triterpenoids,Oleanane triterpenoids,Eriocapitella tomentosa,5737682.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Anemone'],['Anemone tomentosa'],7,3,10.158546686172485 107866,4313,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,KVSQIVFQSWVUGM-GHADIOTFSA-N,"InChI=1S/C21H36O8/c1-9-5-12(23)15-10(9)6-11-13(7-21(15,4)29-20(11,2)3)27-19-18(26)17(25)16(24)14(8-22)28-19/h9-19,22-26H,5-8H2,1-4H3/t9-,10-,11+,12-,13+,14-,15+,16-,17+,18-,19+,21+/m1/s1",C[C@@H]1C[C@@H](O)[C@@H]2[C@@H]1C[C@H]1[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C[C@]2(C)OC1(C)C,C21H36O8,pos_1_sodium,416.241018112,KVSQIVFQSWVUGM,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,1,6.5 107867,4313,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,KVSQIVFQSWVUGM-GHADIOTFSA-N,"InChI=1S/C21H36O8/c1-9-5-12(23)15-10(9)6-11-13(7-21(15,4)29-20(11,2)3)27-19-18(26)17(25)16(24)14(8-22)28-19/h9-19,22-26H,5-8H2,1-4H3/t9-,10-,11+,12-,13+,14-,15+,16-,17+,18-,19+,21+/m1/s1",C[C@@H]1C[C@@H](O)[C@@H]2[C@@H]1C[C@H]1[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C[C@]2(C)OC1(C)C,C21H36O8,pos_1_sodium,416.241018112,KVSQIVFQSWVUGM,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Valeriana fauriei,228778.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana fauriei'],6,1,6.5 107865,4309,1595,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.30312255,ISDB,,,,,,,JETWTJJKCQERGG,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.212490200996399 107751,4308,-1,,,,0.0,MS1_match,LERLQQKAXDNEKW-ZKMOHVOUSA-N,"InChI=1S/C22H34O8/c1-12(2)7-17(24)28-11-15-20-16(26-5)9-14(10-23)19(20)22(30-21(15)27-6)29-18(25)8-13(3)4/h9,12-13,16,19,21-23H,7-8,10-11H2,1-6H3/t16-,19-,21+,22-/m1/s1",CO[C@H]1O[C@@H](OC(=O)CC(C)C)[C@@H]2C(CO)=C[C@@H](OC)C2=C1COC(=O)CC(C)C,C22H34O8,pos_2_1proton1sodium,426.225368048,LERLQQKAXDNEKW,Terpenoids,Sesquiterpenoids,,Patrinia saniculifolia,139326.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia saniculifolia'],6,0,6.0 107439,4305,699,Terpenoids,Triterpenoids,Fernane and Arborinane triterpenoids,0.0,MS1_match,GUZAIURHRDPBKE-HIEJAJBWSA-N,"InChI=1S/C30H46O3/c1-17(2)18-9-12-22-29(18,7)25(33)16-28(6)19-10-11-21-26(3,4)23(31)13-14-27(21,5)20(19)15-24(32)30(22,28)8/h10,15,17-18,21-23,25,31,33H,9,11-14,16H2,1-8H3/t18-,21+,22-,23-,25-,27-,28-,29-,30-/m1/s1",CC(C)[C@H]1CC[C@@H]2[C@]1(C)[C@H](O)C[C@]1(C)C3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)C3=CC(=O)[C@@]21C,C30H46O3,pos_1_1proton,454.344695332,GUZAIURHRDPBKE,Terpenoids,Triterpenoids,Fernane and Arborinane triterpenoids,Lonicera gracilipes,920854.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera gracilipes'],7,3,8.5 107438,4303,316,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,SYWIUZCNOUKNSM-CMQICLSVSA-N,"InChI=1S/C20H34O/c1-17(2)11-9-14-19(5)13-7-8-15-20(6,21)16-10-12-18(3)4/h8,11-13,15,21H,7,9-10,14,16H2,1-6H3/b15-8?,19-13+",CC(C)=CCC/C(C)=C/CC=CC(C)(O)CCC=C(C)C,C20H34O,pos_1_1proton,290.260965708,SYWIUZCNOUKNSM,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Morina persica,326553.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Morina'],['Morina persica'],6,3,7.5 107437,4302,305,Terpenoids,Steroids,Pregnane steroids,0.0,MS1_match,RJKFOVLPORLFTN-LEKSSAKUSA-N,"InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1",CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,C21H30O2,pos_2MH,314.2245802,RJKFOVLPORLFTN,Terpenoids,Steroids,Pregnane steroids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 107430,4301,242,Fatty acids,Sesquiterpenoids,Furans,0.56750405,ISDB,CTLVRIOTFRWXKP-BGTYHANMSA-N,"InChI=1S/C18H28O/c1-13-7-6-8-16-17(13,4)11-9-14(2)18(16,5)12-10-15(3)19/h6-7,14,16H,1,8-12H2,2-5H3/t14-,16-,17+,18+/m1/s1",C=C1C=CC[C@H]2[C@@](C)(CCC(C)=O)[C@H](C)CC[C@@]12C,C18H28O,,260.214015516,CTLVRIOTFRWXKP,Terpenoids,Sesquiterpenoids,,Parentucellia latifolia,981066.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Orobanchaceae'],['Rhinantheae'],['Parentucellia'],['Parentucellia latifolia'],4,2,7.270016193389893 107409,4297,-1,,,,0.45717221,ISDB,BYHJHXPTQMMKCA-UHFFFAOYSA-N,"InChI=1S/C11H12N2O4/c12-8(11(16)17)5-10(15)7-3-1-2-4-9(7)13-6-14/h1-4,6,8H,5,12H2,(H,13,14)(H,16,17)",NC(CC(=O)c1ccccc1NC=O)C(=O)O,C11H12N2O4,,236.079706864,BYHJHXPTQMMKCA,Amino acids and Peptides,Small peptides,Aminoacids,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],4,0,5.828688859939575 107383,4286,80,Terpenoids,Tryptophan alkaloids,Carbazole alkaloids,0.25172475,ISDB,FDHFJXKRMIVNCQ-CQBRDPJOSA-N,"InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,58,61H,1,14-25,27H2,2-12H3/b34-26+,44-28?,46-29?,47-30?,52-50?/t32-,33-,37-,41-,51+/m0/s1",C=CC1=C(C)C2=NC1=CC1=NC(=CC3=C(C)C4=C(O)[C@H](C(=O)OC)C(=C5NC(=C2)[C@@H](C)[C@@H]5CCC(=O)OC/C=C(\C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)C4=N3)C(CC)=C1C,C55H74N4O5,,870.565921468,FDHFJXKRMIVNCQ,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Aristolochia mollissima,656355.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Aristolochiaceae'],['Unknown'],['Aristolochia'],['Aristolochia mollissima'],4,1,5.506898999214172 107384,4286,80,Terpenoids,Tryptophan alkaloids,Carbazole alkaloids,0.25172475,ISDB,FDHFJXKRMIVNCQ-CQBRDPJOSA-N,"InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,58,61H,1,14-25,27H2,2-12H3/b34-26+,44-28?,46-29?,47-30?,52-50?/t32-,33-,37-,41-,51+/m0/s1",C=CC1=C(C)C2=NC1=CC1=NC(=CC3=C(C)C4=C(O)[C@H](C(=O)OC)C(=C5NC(=C2)[C@@H](C)[C@@H]5CCC(=O)OC/C=C(\C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)C4=N3)C(CC)=C1C,C55H74N4O5,,870.565921468,FDHFJXKRMIVNCQ,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Camellia sinensis,1058509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Theaceae'],['Unknown'],['Camellia'],['Camellia sinensis'],4,1,5.506898999214172 107385,4286,80,Terpenoids,Tryptophan alkaloids,Carbazole alkaloids,0.25172475,ISDB,FDHFJXKRMIVNCQ-CQBRDPJOSA-N,"InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,58,61H,1,14-25,27H2,2-12H3/b34-26+,44-28?,46-29?,47-30?,52-50?/t32-,33-,37-,41-,51+/m0/s1",C=CC1=C(C)C2=NC1=CC1=NC(=CC3=C(C)C4=C(O)[C@H](C(=O)OC)C(=C5NC(=C2)[C@@H](C)[C@@H]5CCC(=O)OC/C=C(\C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)C4=N3)C(CC)=C1C,C55H74N4O5,,870.565921468,FDHFJXKRMIVNCQ,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Platostoma palustre,285422.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Ocimeae'],['Platostoma'],['Platostoma chinense'],4,1,5.506898999214172 107386,4286,80,Terpenoids,Tryptophan alkaloids,Carbazole alkaloids,0.25172475,ISDB,FDHFJXKRMIVNCQ-CQBRDPJOSA-N,"InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,58,61H,1,14-25,27H2,2-12H3/b34-26+,44-28?,46-29?,47-30?,52-50?/t32-,33-,37-,41-,51+/m0/s1",C=CC1=C(C)C2=NC1=CC1=NC(=CC3=C(C)C4=C(O)[C@H](C(=O)OC)C(=C5NC(=C2)[C@@H](C)[C@@H]5CCC(=O)OC/C=C(\C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)C4=N3)C(CC)=C1C,C55H74N4O5,,870.565921468,FDHFJXKRMIVNCQ,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Spinacia oleracea,317784.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Chenopodiaceae'],['Anserineae'],['Spinacia'],['Spinacia oleracea'],4,1,5.506898999214172 107387,4286,80,Terpenoids,Tryptophan alkaloids,Carbazole alkaloids,0.25172475,ISDB,FDHFJXKRMIVNCQ-RRNMINROSA-N,"InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,58,61H,1,14-25,27H2,2-12H3/b34-26+,44-28?,46-29?,47-30?,52-50?",C=CC1=C(C)C2=NC1=CC1=NC(=CC3=C(C)C4=C(O)C(C(=O)OC)C(=C5NC(=C2)C(C)C5CCC(=O)OC/C=C(\C)CCCC(C)CCCC(C)CCCC(C)C)C4=N3)C(CC)=C1C,C55H74N4O5,,870.565921468,FDHFJXKRMIVNCQ,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Olea europaea,23729.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Oleaceae'],['Oleeae'],['Olea'],['Olea europaea'],4,1,5.506898999214172 107388,4286,80,Terpenoids,Tryptophan alkaloids,Carbazole alkaloids,0.25172475,ISDB,FDHFJXKRMIVNCQ-CQBRDPJOSA-N,"InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,58,61H,1,14-25,27H2,2-12H3/b34-26+,44-28?,46-29?,47-30?,52-50?/t32-,33-,37-,41-,51+/m0/s1",C=CC1=C(C)C2=NC1=CC1=NC(=CC3=C(C)C4=C(O)[C@H](C(=O)OC)C(=C5NC(=C2)[C@@H](C)[C@@H]5CCC(=O)OC/C=C(\C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)C4=N3)C(CC)=C1C,C55H74N4O5,,870.565921468,FDHFJXKRMIVNCQ,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Brassica oleracea,833642.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica oleracea'],4,1,5.506898999214172 107389,4286,80,Terpenoids,Tryptophan alkaloids,Carbazole alkaloids,0.25172475,ISDB,FDHFJXKRMIVNCQ-CQBRDPJOSA-N,"InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,58,61H,1,14-25,27H2,2-12H3/b34-26+,44-28?,46-29?,47-30?,52-50?/t32-,33-,37-,41-,51+/m0/s1",C=CC1=C(C)C2=NC1=CC1=NC(=CC3=C(C)C4=C(O)[C@H](C(=O)OC)C(=C5NC(=C2)[C@@H](C)[C@@H]5CCC(=O)OC/C=C(\C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)C4=N3)C(CC)=C1C,C55H74N4O5,,870.565921468,FDHFJXKRMIVNCQ,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Euchresta formosana,280933.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Euchresta'],['Euchresta formosana'],4,1,5.506898999214172 107390,4286,80,Terpenoids,Tryptophan alkaloids,Carbazole alkaloids,0.25172475,ISDB,FDHFJXKRMIVNCQ-RRNMINROSA-N,"InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,58,61H,1,14-25,27H2,2-12H3/b34-26+,44-28?,46-29?,47-30?,52-50?",C=CC1=C(C)C2=NC1=CC1=NC(=CC3=C(C)C4=C(O)C(C(=O)OC)C(=C5NC(=C2)C(C)C5CCC(=O)OC/C=C(\C)CCCC(C)CCCC(C)CCCC(C)C)C4=N3)C(CC)=C1C,C55H74N4O5,,870.565921468,FDHFJXKRMIVNCQ,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Tapura fischeri,204812.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Dichapetalaceae'],['Unknown'],['Tapura'],['Tapura fischeri'],4,1,5.506898999214172 107391,4286,80,Terpenoids,Tryptophan alkaloids,Carbazole alkaloids,0.25172475,ISDB,FDHFJXKRMIVNCQ-CQBRDPJOSA-N,"InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,58,61H,1,14-25,27H2,2-12H3/b34-26+,44-28?,46-29?,47-30?,52-50?/t32-,33-,37-,41-,51+/m0/s1",C=CC1=C(C)C2=NC1=CC1=NC(=CC3=C(C)C4=C(O)[C@H](C(=O)OC)C(=C5NC(=C2)[C@@H](C)[C@@H]5CCC(=O)OC/C=C(\C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)C4=N3)C(CC)=C1C,C55H74N4O5,,870.565921468,FDHFJXKRMIVNCQ,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Saussurea medusa,474462.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea medusa'],4,1,5.506898999214172 107392,4286,80,Terpenoids,Tryptophan alkaloids,Carbazole alkaloids,0.25172475,ISDB,FDHFJXKRMIVNCQ-OSIZZBRKSA-N,"InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,58,61H,1,14-25,27H2,2-12H3/b34-26+,44-28?,46-29?,47-30?,52-50?/t32-,33-,37+,41+,51-/m1/s1",C=CC1=C(C)C2=NC1=CC1=NC(=CC3=C(C)C4=C(O)[C@H](C(=O)OC)C(=C5NC(=C2)[C@@H](C)[C@@H]5CCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C4=N3)C(CC)=C1C,C55H74N4O5,,870.565921468,FDHFJXKRMIVNCQ,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Alloberberis fremontii,725518.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Berberidaceae'],['Unknown'],['Berberis'],['Berberis fremontii'],4,1,5.506898999214172 107393,4286,80,Terpenoids,Tryptophan alkaloids,Carbazole alkaloids,0.25172475,ISDB,FDHFJXKRMIVNCQ-RRNMINROSA-N,"InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,58,61H,1,14-25,27H2,2-12H3/b34-26+,44-28?,46-29?,47-30?,52-50?",C=CC1=C(C)C2=NC1=CC1=NC(=CC3=C(C)C4=C(O)C(C(=O)OC)C(=C5NC(=C2)C(C)C5CCC(=O)OC/C=C(\C)CCCC(C)CCCC(C)CCCC(C)C)C4=N3)C(CC)=C1C,C55H74N4O5,,870.565921468,FDHFJXKRMIVNCQ,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Ophiorrhiza pumila,608350.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Ophiorrhizeae'],['Ophiorrhiza'],['Ophiorrhiza pumila'],4,1,5.506898999214172 107394,4286,80,Terpenoids,Tryptophan alkaloids,Carbazole alkaloids,0.25172475,ISDB,FDHFJXKRMIVNCQ-CQBRDPJOSA-N,"InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,58,61H,1,14-25,27H2,2-12H3/b34-26+,44-28?,46-29?,47-30?,52-50?/t32-,33-,37-,41-,51+/m0/s1",C=CC1=C(C)C2=NC1=CC1=NC(=CC3=C(C)C4=C(O)[C@H](C(=O)OC)C(=C5NC(=C2)[C@@H](C)[C@@H]5CCC(=O)OC/C=C(\C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)C4=N3)C(CC)=C1C,C55H74N4O5,,870.565921468,FDHFJXKRMIVNCQ,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Berberis trifoliata,5503578.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Berberidaceae'],['Unknown'],['Berberis'],['Berberis trifolia'],4,1,5.506898999214172 107395,4286,80,Terpenoids,Tryptophan alkaloids,Carbazole alkaloids,0.25172475,ISDB,FDHFJXKRMIVNCQ-CQBRDPJOSA-N,"InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,58,61H,1,14-25,27H2,2-12H3/b34-26+,44-28?,46-29?,47-30?,52-50?/t32-,33-,37-,41-,51+/m0/s1",C=CC1=C(C)C2=NC1=CC1=NC(=CC3=C(C)C4=C(O)[C@H](C(=O)OC)C(=C5NC(=C2)[C@@H](C)[C@@H]5CCC(=O)OC/C=C(\C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)C4=N3)C(CC)=C1C,C55H74N4O5,,870.565921468,FDHFJXKRMIVNCQ,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Berberis trifoliolata,840498.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Berberidaceae'],['Unknown'],['Berberis'],['Berberis trifoliolata'],4,1,5.506898999214172 107396,4286,80,Terpenoids,Tryptophan alkaloids,Carbazole alkaloids,0.25172475,ISDB,FDHFJXKRMIVNCQ-CQBRDPJOSA-N,"InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,58,61H,1,14-25,27H2,2-12H3/b34-26+,44-28?,46-29?,47-30?,52-50?/t32-,33-,37-,41-,51+/m0/s1",C=CC1=C(C)C2=NC1=CC1=NC(=CC3=C(C)C4=C(O)[C@H](C(=O)OC)C(=C5NC(=C2)[C@@H](C)[C@@H]5CCC(=O)OC/C=C(\C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)C4=N3)C(CC)=C1C,C55H74N4O5,,870.565921468,FDHFJXKRMIVNCQ,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Phellodendron chinense,710068.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Phellodendron'],['Phellodendron chinense'],4,1,5.506898999214172 107397,4286,80,Terpenoids,Tryptophan alkaloids,Carbazole alkaloids,0.25172475,ISDB,FDHFJXKRMIVNCQ-CQBRDPJOSA-N,"InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,58,61H,1,14-25,27H2,2-12H3/b34-26+,44-28?,46-29?,47-30?,52-50?/t32-,33-,37-,41-,51+/m0/s1",C=CC1=C(C)C2=NC1=CC1=NC(=CC3=C(C)C4=C(O)[C@H](C(=O)OC)C(=C5NC(=C2)[C@@H](C)[C@@H]5CCC(=O)OC/C=C(\C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)C4=N3)C(CC)=C1C,C55H74N4O5,,870.565921468,FDHFJXKRMIVNCQ,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Ajuga taiwanensis,367347.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Ajuga'],['Ajuga taiwanensis'],4,1,5.506898999214172 107398,4286,80,Terpenoids,Tryptophan alkaloids,Carbazole alkaloids,0.25172475,ISDB,FDHFJXKRMIVNCQ-OSIZZBRKSA-N,"InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,58,61H,1,14-25,27H2,2-12H3/b34-26+,44-28?,46-29?,47-30?,52-50?/t32-,33-,37+,41+,51-/m1/s1",C=CC1=C(C)C2=NC1=CC1=NC(=CC3=C(C)C4=C(O)[C@H](C(=O)OC)C(=C5NC(=C2)[C@@H](C)[C@@H]5CCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C4=N3)C(CC)=C1C,C55H74N4O5,,870.565921468,FDHFJXKRMIVNCQ,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Isotrema kaempferi,656366.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Aristolochiaceae'],['Unknown'],['Aristolochia'],['Aristolochia kaempferi'],4,1,5.506898999214172 107399,4286,80,Terpenoids,Tryptophan alkaloids,Carbazole alkaloids,0.25172475,ISDB,FDHFJXKRMIVNCQ-CQBRDPJOSA-N,"InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,58,61H,1,14-25,27H2,2-12H3/b34-26+,44-28?,46-29?,47-30?,52-50?/t32-,33-,37-,41-,51+/m0/s1",C=CC1=C(C)C2=NC1=CC1=NC(=CC3=C(C)C4=C(O)[C@H](C(=O)OC)C(=C5NC(=C2)[C@@H](C)[C@@H]5CCC(=O)OC/C=C(\C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)C4=N3)C(CC)=C1C,C55H74N4O5,,870.565921468,FDHFJXKRMIVNCQ,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Aristolochia kaempferi,656366.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Aristolochiaceae'],['Unknown'],['Aristolochia'],['Aristolochia kaempferi'],4,1,5.506898999214172 107400,4286,80,Terpenoids,Tryptophan alkaloids,Carbazole alkaloids,0.25172475,ISDB,FDHFJXKRMIVNCQ-CQBRDPJOSA-N,"InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,58,61H,1,14-25,27H2,2-12H3/b34-26+,44-28?,46-29?,47-30?,52-50?/t32-,33-,37-,41-,51+/m0/s1",C=CC1=C(C)C2=NC1=CC1=NC(=CC3=C(C)C4=C(O)[C@H](C(=O)OC)C(=C5NC(=C2)[C@@H](C)[C@@H]5CCC(=O)OC/C=C(\C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)C4=N3)C(CC)=C1C,C55H74N4O5,,870.565921468,FDHFJXKRMIVNCQ,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Centaurea malacitana,7613211.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea malacitana'],4,1,5.506898999214172 107401,4286,80,Terpenoids,Tryptophan alkaloids,Carbazole alkaloids,0.25172475,ISDB,FDHFJXKRMIVNCQ-RRNMINROSA-N,"InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,58,61H,1,14-25,27H2,2-12H3/b34-26+,44-28?,46-29?,47-30?,52-50?",C=CC1=C(C)C2=NC1=CC1=NC(=CC3=C(C)C4=C(O)C(C(=O)OC)C(=C5NC(=C2)C(C)C5CCC(=O)OC/C=C(\C)CCCC(C)CCCC(C)CCCC(C)C)C4=N3)C(CC)=C1C,C55H74N4O5,,870.565921468,FDHFJXKRMIVNCQ,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Richardia grandiflora,3872538.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Spermacoceae'],['Richardia'],['Richardia grandiflora'],4,1,5.506898999214172 107402,4286,80,Terpenoids,Tryptophan alkaloids,Carbazole alkaloids,0.25172475,ISDB,FDHFJXKRMIVNCQ-CQBRDPJOSA-N,"InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,58,61H,1,14-25,27H2,2-12H3/b34-26+,44-28?,46-29?,47-30?,52-50?/t32-,33-,37-,41-,51+/m0/s1",C=CC1=C(C)C2=NC1=CC1=NC(=CC3=C(C)C4=C(O)[C@H](C(=O)OC)C(=C5NC(=C2)[C@@H](C)[C@@H]5CCC(=O)OC/C=C(\C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)C4=N3)C(CC)=C1C,C55H74N4O5,,870.565921468,FDHFJXKRMIVNCQ,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Berberis fendleri,854435.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Berberidaceae'],['Unknown'],['Berberis'],['Berberis fendleri'],4,1,5.506898999214172 107403,4286,80,Terpenoids,Tryptophan alkaloids,Carbazole alkaloids,0.25172475,ISDB,FDHFJXKRMIVNCQ-OSIZZBRKSA-N,"InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,58,61H,1,14-25,27H2,2-12H3/b34-26+,44-28?,46-29?,47-30?,52-50?/t32-,33-,37+,41+,51-/m1/s1",C=CC1=C(C)C2=NC1=CC1=NC(=CC3=C(C)C4=C(O)[C@H](C(=O)OC)C(=C5NC(=C2)[C@@H](C)[C@@H]5CCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C4=N3)C(CC)=C1C,C55H74N4O5,,870.565921468,FDHFJXKRMIVNCQ,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Ocimum labiatum,588789.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Ocimeae'],['Ocimum'],['Ocimum labiatum'],4,1,5.506898999214172 107371,4285,-1,,,,0.41828722,ISDB,KTFHYOMAVCUFEY-UHFFFAOYSA-N,"InChI=1S/C19H26O/c1-18-9-5-7-14(18)17-15(8-11-18)19(2)10-4-3-6-13(19)12-16(17)20/h3,6,12,14-15,17H,4-5,7-11H2,1-2H3",CC12CCCC1C1C(=O)C=C3C=CCCC3(C)C1CC2,C19H26O,,270.198365452,KTFHYOMAVCUFEY,Terpenoids,Steroids,Androstane steroids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],4,0,5.67314887046814 107364,4283,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,UEEFSWPSRLSUQJ-NOMYRAODSA-N,"InChI=1S/C25H31NO11/c1-2-15-16(8-7-14-5-3-9-26(11-14)10-4-6-19(28)29)17(23(33)34)13-35-24(15)37-25-22(32)21(31)20(30)18(12-27)36-25/h2-3,5,7-9,11,13,15-16,18,20-22,24-25,27,30-32H,1,4,6,10,12H2,(H-,28,29,33,34)/b8-7+/t15-,16+,18-,20-,21+,22-,24+,25+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)[O-])[C@H]1/C=C/c1ccc[n+](CCCC(=O)O)c1,C25H31NO11,pos_1_1proton1methanol,521.1897108119997,UEEFSWPSRLSUQJ,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],8,0,8.0 107365,4283,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QGCICTMJHHIGBT-LSWTWQANSA-N,"InChI=1S/C25H31NO11/c1-4-15-16(7-6-13-8-14(22(31)32)10-26(5-2)9-13)17(23(33)34-3)12-35-24(15)37-25-21(30)20(29)19(28)18(11-27)36-25/h4,6-10,12,15-16,18-21,24-25,27-30H,1,5,11H2,2-3H3/b7-6+/t15-,16+,18-,19-,20+,21-,24+,25+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1/C=C/c1cc(C(=O)[O-])c[n+](CC)c1,C25H31NO11,pos_1_1proton1methanol,521.1897108119998,QGCICTMJHHIGBT,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],8,0,8.0 107343,4282,-1,,,,0.37980577,ISDB,PHOPGVYKZWPIGA-UHFFFAOYSA-N,"InChI=1S/C11H16O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h6-7,12-13H,3-5H2,1-2H3",COc1cc(CCCO)cc(OC)c1O,C11H16O4,,212.104858992,PHOPGVYKZWPIGA,,,,Centaurea diffusa,331371.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea diffusa'],4,0,5.519223093986511 107344,4282,-1,,,,0.37980577,ISDB,PHOPGVYKZWPIGA-UHFFFAOYSA-N,"InChI=1S/C11H16O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h6-7,12-13H,3-5H2,1-2H3",COc1cc(CCCO)cc(OC)c1O,C11H16O4,,212.104858992,PHOPGVYKZWPIGA,,,,Jurinea leptoloba,5537596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Jurinea'],['Jurinea leptoloba'],4,0,5.519223093986511 107345,4282,-1,,,,0.37980577,ISDB,PHOPGVYKZWPIGA-UHFFFAOYSA-N,"InChI=1S/C11H16O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h6-7,12-13H,3-5H2,1-2H3",COc1cc(CCCO)cc(OC)c1O,C11H16O4,,212.104858992,PHOPGVYKZWPIGA,,,,Tinospora smilacina,1051363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Menispermaceae'],['Burasaieae'],['Tinospora'],['Tinospora smilacina'],4,0,5.519223093986511 107346,4282,-1,,,,0.37980577,ISDB,PHOPGVYKZWPIGA-UHFFFAOYSA-N,"InChI=1S/C11H16O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h6-7,12-13H,3-5H2,1-2H3",COc1cc(CCCO)cc(OC)c1O,C11H16O4,,212.104858992,PHOPGVYKZWPIGA,,,,Helianthus annuus,515712.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Helianthus'],['Helianthus annuus'],4,0,5.519223093986511 107308,4281,263,Terpenoids,Diterpenoids,Labdane diterpenoids,0.3855193,ISDB,PUEYPOOQZNJSBJ-SOKBWVMISA-N,"InChI=1S/C25H38O4/c1-6-17(2)23(27)29-22-11-13-24(4)20(9-8-19-12-14-28-15-19)18(3)7-10-21(24)25(22,5)16-26/h6,12,20-22,26H,3,7-11,13-16H2,1-2,4-5H3/b17-6-/t20-,21+,22-,24+,25-/m1/s1",C=C1CC[C@H]2[C@@](C)(CC[C@@H](OC(=O)/C(C)=C\C)[C@]2(C)CO)[C@@H]1CCC1=CCOC1,C25H38O4,,402.277009696,PUEYPOOQZNJSBJ,Terpenoids,Diterpenoids,Labdane diterpenoids,Gutierrezia solbrigii,7599156.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Gutierrezia'],['Gutierrezia solbrigii'],4,3,7.04207718372345 107300,4280,-1,,,,0.33764714,ISDB,HGBZMCXKHKZYBF-BDVZBAKESA-N,"InChI=1S/C42H55NO7/c1-20(2)17-28-47-32-34(38(7,8)48-28)46-27-14-15-39(9)40(10)21(13-16-41(39,45)42(27)35(32)49-42)18-24-29-23-19-25-30(37(5,6)50-36(25,3)4)31(44)22(23)11-12-26(29)43-33(24)40/h11-12,17,21,25,27-28,30,32,34-35,43,45H,13-16,18-19H2,1-10H3/t21-,25+,27+,28-,30-,32+,34+,35-,39+,40+,41-,42-/m0/s1",CC(C)=C[C@H]1O[C@@H]2[C@@H](O[C@@H]3CC[C@@]4(C)[C@@](O)(CC[C@H]5Cc6c([nH]c7ccc8c(c67)C[C@@H]6[C@@H](C8=O)C(C)(C)OC6(C)C)[C@@]54C)[C@]34O[C@@H]24)C(C)(C)O1,C42H55NO7,,685.3978531,HGBZMCXKHKZYBF,Alkaloids,Tryptophan alkaloids,Indole-Diterpenoid alkaloids (Penitrems),Lolium perenne,135774.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Poeae'],['Lolium'],['Lolium perenne'],4,0,5.35058856010437 107298,4275,-1,,,,0.3357913,ISDB,,,,,,,CGTVVCFTVVGYPL,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.3431651592254639 107289,4274,-1,,,,0.0,MS1_match,GZCGUPFRVQAUEE-SLPGGIOYSA-N,"InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5+,6+/m0/s1",O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,C6H12O6,pos_2MHCH3CN,180.063388104,GZCGUPFRVQAUEE,Carbohydrates,Saccharides,Monosaccharides,Salacia oblonga,316027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Salacia'],['Salacia oblonga'],6,0,6.0 107290,4274,-1,,,,0.0,MS1_match,GZCGUPFRVQAUEE-SLPGGIOYSA-N,"InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5+,6+/m0/s1",O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,C6H12O6,pos_2MHCH3CN,180.063388104,GZCGUPFRVQAUEE,Carbohydrates,Saccharides,Monosaccharides,Salacia reticulata,5750051.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Salacia'],['Salacia reticulata'],6,0,6.0 107291,4274,-1,,,,0.0,MS1_match,BJHIKXHVCXFQLS-UYFOZJQFSA-N,"InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5-,6-/m1/s1",O=C(CO)[C@@H](O)[C@H](O)[C@H](O)CO,C6H12O6,pos_2MHCH3CN,180.063388104,BJHIKXHVCXFQLS,Carbohydrates,Saccharides,Monosaccharides,Salacia oblonga,316027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Salacia'],['Salacia oblonga'],6,0,6.0 107292,4274,-1,,,,0.0,MS1_match,BJHIKXHVCXFQLS-UYFOZJQFSA-N,"InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5-,6-/m1/s1",O=C(CO)[C@@H](O)[C@H](O)[C@H](O)CO,C6H12O6,pos_2MHCH3CN,180.063388104,BJHIKXHVCXFQLS,Carbohydrates,Saccharides,Monosaccharides,Salacia reticulata,5750051.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Salacia'],['Salacia reticulata'],6,0,6.0 107293,4274,-1,,,,0.0,MS1_match,WQZGKKKJIJFFOK-GASJEMHNSA-N,"InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6?/m1/s1",OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,C6H12O6,pos_2MHCH3CN,180.063388104,WQZGKKKJIJFFOK,Carbohydrates,Saccharides,Disaccharides,Salacia oblonga,316027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Salacia'],['Salacia oblonga'],6,0,6.0 107294,4274,-1,,,,0.0,MS1_match,WQZGKKKJIJFFOK-GASJEMHNSA-N,"InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6?/m1/s1",OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,C6H12O6,pos_2MHCH3CN,180.063388104,WQZGKKKJIJFFOK,Carbohydrates,Saccharides,Disaccharides,Salacia reticulata,5750051.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Salacia'],['Salacia reticulata'],6,0,6.0 107295,4274,-1,,,,0.0,MS1_match,CDAISMWEOUEBRE-GPIVLXJGSA-N,"InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6-",O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O,C6H12O6,pos_2MHCH3CN,180.063388104,CDAISMWEOUEBRE,Carbohydrates,Polyols,Cyclitols,Salacia chinensis,380833.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Salacia'],['Salacia chinensis'],6,0,6.0 107296,4274,-1,,,,0.0,MS1_match,LKDRXBCSQODPBY-VRPWFDPXSA-N,"InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4-,5+,6?/m1/s1",OCC1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O,C6H12O6,pos_2MHCH3CN,180.063388104,LKDRXBCSQODPBY,Carbohydrates,Saccharides,Monosaccharides,Salacia oblonga,316027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Salacia'],['Salacia oblonga'],6,0,6.0 107297,4274,-1,,,,0.0,MS1_match,LKDRXBCSQODPBY-VRPWFDPXSA-N,"InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4-,5+,6?/m1/s1",OCC1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O,C6H12O6,pos_2MHCH3CN,180.063388104,LKDRXBCSQODPBY,Carbohydrates,Saccharides,Monosaccharides,Salacia reticulata,5750051.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Salacia'],['Salacia reticulata'],6,0,6.0 107214,4272,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.537052,ISDB,VLFIBROLAXKPQK-DPRDWZRASA-N,"InChI=1S/C21H24O11/c22-7-16-17(27)18(28)19(29)21(32-16)30-9-4-12(24)10-6-14(26)20(31-15(10)5-9)8-1-2-11(23)13(25)3-8/h1-5,14,16-29H,6-7H2/t14-,16+,17+,18-,19+,20+,21+/m0/s1",OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)O[C@H](c2ccc(O)c(O)c2)[C@@H](O)C3)[C@H](O)[C@@H](O)[C@@H]1O,C21H24O11,,452.131861588,VLFIBROLAXKPQK,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Hordeum vulgare,657948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Hordeum'],['Hordeum vulgare'],4,2,7.148207902908325 107215,4272,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.537052,ISDB,VLFIBROLAXKPQK-DPRDWZRASA-N,"InChI=1S/C21H24O11/c22-7-16-17(27)18(28)19(29)21(32-16)30-9-4-12(24)10-6-14(26)20(31-15(10)5-9)8-1-2-11(23)13(25)3-8/h1-5,14,16-29H,6-7H2/t14-,16+,17+,18-,19+,20+,21+/m0/s1",OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)O[C@H](c2ccc(O)c(O)c2)[C@@H](O)C3)[C@H](O)[C@@H](O)[C@@H]1O,C21H24O11,,452.131861588,VLFIBROLAXKPQK,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Fagopyrum esculentum,904381.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Polygonaceae'],['Fagopyreae'],['Fagopyrum'],['Fagopyrum esculentum'],4,2,7.148207902908325 107216,4272,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.537052,ISDB,VLFIBROLAXKPQK-ZZIZYRMTSA-N,"InChI=1S/C21H24O11/c22-7-16-17(27)18(28)19(29)21(32-16)30-9-4-12(24)10-6-14(26)20(31-15(10)5-9)8-1-2-11(23)13(25)3-8/h1-5,14,16-29H,6-7H2/t14-,16-,17-,18+,19-,20+,21-/m1/s1",OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)O[C@@H](c2ccc(O)c(O)c2)[C@H](O)C3)[C@H](O)[C@@H](O)[C@@H]1O,C21H24O11,,452.131861588,VLFIBROLAXKPQK,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Rhaphiolepis indica,316539.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Rhaphiolepis'],['Rhaphiolepis indica'],4,2,7.148207902908325 107217,4272,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.537052,ISDB,VLFIBROLAXKPQK-ZZIZYRMTSA-N,"InChI=1S/C21H24O11/c22-7-16-17(27)18(28)19(29)21(32-16)30-9-4-12(24)10-6-14(26)20(31-15(10)5-9)8-1-2-11(23)13(25)3-8/h1-5,14,16-29H,6-7H2/t14-,16-,17-,18+,19-,20+,21-/m1/s1",OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)O[C@@H](c2ccc(O)c(O)c2)[C@H](O)C3)[C@H](O)[C@@H](O)[C@@H]1O,C21H24O11,,452.131861588,VLFIBROLAXKPQK,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Betula papyrifera,267725.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula papyrifera'],4,2,7.148207902908325 107218,4272,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.537052,ISDB,VLFIBROLAXKPQK-RJNJCGSWSA-N,"InChI=1S/C21H24O11/c22-7-16-17(27)18(28)19(29)21(32-16)30-9-4-12(24)10-6-14(26)20(31-15(10)5-9)8-1-2-11(23)13(25)3-8/h1-5,14,16-29H,6-7H2/t14-,16?,17+,18-,19?,20+,21+/m0/s1",OCC1O[C@@H](Oc2cc(O)c3c(c2)O[C@H](c2ccc(O)c(O)c2)[C@@H](O)C3)C(O)[C@@H](O)[C@@H]1O,C21H24O11,,452.131861588,VLFIBROLAXKPQK,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Ulmus davidiana,4729838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Ulmaceae'],['Unknown'],['Ulmus'],['Ulmus davidiana'],4,2,7.148207902908325 107219,4272,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.537052,ISDB,VLFIBROLAXKPQK-DPRDWZRASA-N,"InChI=1S/C21H24O11/c22-7-16-17(27)18(28)19(29)21(32-16)30-9-4-12(24)10-6-14(26)20(31-15(10)5-9)8-1-2-11(23)13(25)3-8/h1-5,14,16-29H,6-7H2/t14-,16+,17+,18-,19+,20+,21+/m0/s1",OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)O[C@H](c2ccc(O)c(O)c2)[C@@H](O)C3)[C@H](O)[C@@H](O)[C@@H]1O,C21H24O11,,452.131861588,VLFIBROLAXKPQK,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Vigna angularis,1065959.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Vigna'],['Vigna angularis'],4,2,7.148207902908325 107220,4272,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.537052,ISDB,VLFIBROLAXKPQK-DPRDWZRASA-N,"InChI=1S/C21H24O11/c22-7-16-17(27)18(28)19(29)21(32-16)30-9-4-12(24)10-6-14(26)20(31-15(10)5-9)8-1-2-11(23)13(25)3-8/h1-5,14,16-29H,6-7H2/t14-,16+,17+,18-,19+,20+,21+/m0/s1",OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)O[C@H](c2ccc(O)c(O)c2)[C@@H](O)C3)[C@H](O)[C@@H](O)[C@@H]1O,C21H24O11,,452.131861588,VLFIBROLAXKPQK,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Excoecaria agallocha,475587.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Hippomaneae'],['Excoecaria'],['Excoecaria agallocha'],4,2,7.148207902908325 107221,4272,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.537052,ISDB,VLFIBROLAXKPQK-UHFFFAOYSA-N,"InChI=1S/C21H24O11/c22-7-16-17(27)18(28)19(29)21(32-16)30-9-4-12(24)10-6-14(26)20(31-15(10)5-9)8-1-2-11(23)13(25)3-8/h1-5,14,16-29H,6-7H2",OCC1OC(Oc2cc(O)c3c(c2)OC(c2ccc(O)c(O)c2)C(O)C3)C(O)C(O)C1O,C21H24O11,,452.131861588,VLFIBROLAXKPQK,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Borago officinalis,725935.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Boragineae'],['Borago'],['Borago officinalis'],4,2,7.148207902908325 107222,4272,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.537052,ISDB,VLFIBROLAXKPQK-RJNJCGSWSA-N,"InChI=1S/C21H24O11/c22-7-16-17(27)18(28)19(29)21(32-16)30-9-4-12(24)10-6-14(26)20(31-15(10)5-9)8-1-2-11(23)13(25)3-8/h1-5,14,16-29H,6-7H2/t14-,16?,17+,18-,19?,20+,21+/m0/s1",OCC1O[C@@H](Oc2cc(O)c3c(c2)O[C@H](c2ccc(O)c(O)c2)[C@@H](O)C3)C(O)[C@@H](O)[C@@H]1O,C21H24O11,,452.131861588,VLFIBROLAXKPQK,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Paeonia obovata,163406.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Paeoniaceae'],['Unknown'],['Paeonia'],['Paeonia obovata'],4,2,7.148207902908325 107167,4271,1725,Alkaloids,Naphthalenes,Hasubanan alkaloids,0.47921693,ISDB,LWNCVZAIYGAIFG-UHFFFAOYSA-N,"InChI=1S/C17H17NO4/c1-9-8-12(19)18-15-13(9)16(21-3)10-6-5-7-11(20-2)14(10)17(15)22-4/h5-8H,1-4H3,(H,18,19)",COc1cccc2c(OC)c3c(C)cc(O)nc3c(OC)c12,C17H17NO4,,299.115758024,LWNCVZAIYGAIFG,Polyketides,Naphthalenes,Naphthalenes and derivatives,Annona dioica,3868512.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Annoneae'],['Annona'],['Annona dioica'],4,2,6.916867733001709 107168,4271,1725,Alkaloids,Naphthalenes,Hasubanan alkaloids,0.47921693,ISDB,LWNCVZAIYGAIFG-UHFFFAOYSA-N,"InChI=1S/C17H17NO4/c1-9-8-12(19)18-15-13(9)16(21-3)10-6-5-7-11(20-2)14(10)17(15)22-4/h5-8H,1-4H3,(H,18,19)",COc1cccc2c(OC)c3c(C)cc(O)nc3c(OC)c12,C17H17NO4,,299.115758024,LWNCVZAIYGAIFG,Polyketides,Naphthalenes,Naphthalenes and derivatives,Annona ambotay,3868511.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Annoneae'],['Annona'],['Annona ambotay'],4,2,6.916867733001709 107158,4269,441,Polyketides,Meroterpenoids,Ophiobolane sesterterpenoids,0.24122344,ISDB,MNTJKNWRCITJMY-JCBJYGFASA-N,"InChI=1S/C25H34O4/c1-15(2)10-19-12-17(4)24(29-19)9-8-23(5)13-20-16(3)11-22(27)25(20,28)18(14-26)6-7-21(23)24/h6,10-11,14,17,19-21,28H,7-9,12-13H2,1-5H3/b18-6-/t17-,19-,20+,21+,23+,24-,25-/m0/s1",CC(C)=C[C@H]1C[C@H](C)[C@]2(CC[C@]3(C)C[C@@H]4C(C)=CC(=O)[C@]4(O)/C(C=O)=C\C[C@H]32)O1,C25H34O4,,398.245709568,MNTJKNWRCITJMY,Terpenoids,Sesterterpenoids,Ophiobolane sesterterpenoids,Bipolaris oryzae,448808.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Dothideomycetes'],['Pleosporales'],['Pleosporaceae'],['Unknown'],['Bipolaris'],['Bipolaris oryzae'],1,3,3.4648937582969666 107154,4268,-1,,,,0.22749303,ISDB,XRIDGQVLGQMCMX-OLEFQQMKSA-N,"InChI=1S/C15H16O7/c1-20-12-6-9(2-4-10(12)16)3-5-14(18)21-8-13-11(17)7-15(19)22-13/h2-6,11,13,16-17H,7-8H2,1H3/b5-3+/t11-,13+/m0/s1",COc1cc(/C=C/C(=O)OC[C@H]2OC(=O)C[C@@H]2O)ccc1O,C15H16O7,,308.089602852,XRIDGQVLGQMCMX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis terniflora var. mandshurica,446556.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis terniflora'],9,0,9.909972131252289 107152,4266,7,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.21719141,ISDB,DEUAMKIXCAXPMV-UHFFFAOYSA-N,"InChI=1S/C24H38N2O4/c1-6-23(4)11-9-17-16(15-23)7-8-18-22(2,3)19(10-12-24(17,18)5)30-21(29)26-20(28)25-13-14-27/h6,9,16,18-19,27H,1,7-8,10-15H2,2-5H3,(H2,25,26,28,29)",C=CC1(C)CC=C2C(CCC3C2(C)CCC(OC(=O)NC(=O)NCCO)C3(C)C)C1,C24H38N2O4,,418.283157696,DEUAMKIXCAXPMV,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,Streptomyces albidoflavus,772836.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Streptomyces albidoflavus'],0,1,1.368765652179718 107153,4266,7,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.21719141,ISDB,DEUAMKIXCAXPMV-LQBJFXQCSA-N,"InChI=1S/C24H38N2O4/c1-6-23(4)11-9-17-16(15-23)7-8-18-22(2,3)19(10-12-24(17,18)5)30-21(29)26-20(28)25-13-14-27/h6,9,16,18-19,27H,1,7-8,10-15H2,2-5H3,(H2,25,26,28,29)/t16-,18+,19+,23-,24-/m0/s1",C=C[C@@]1(C)CC=C2[C@@H](CC[C@@H]3C(C)(C)[C@H](OC(=O)NC(=O)NCCO)CC[C@@]23C)C1,C24H38N2O4,,418.283157696,DEUAMKIXCAXPMV,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,Streptomyces,772892.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Unknown'],0,1,1.368765652179718 107142,4265,551,Shikimates and Phenylpropanoids,Monoterpenoids,Simple phenolic acids,0.536762,ISDB,FFIHXENRVXVAGQ-UVLSWTAMSA-N,"InChI=1S/C14H19NO6/c1-4-5-8-6-7-9(16)10(17)14(8)11(18)13(2,20)15(21-3)12(14)19/h5-7,10-11,17-18,20H,4H2,1-3H3/b8-5-/t10-,11+,13-,14-/m1/s1",CC/C=C1/C=CC(=O)[C@@H](O)[C@]12C(=O)N(OC)[C@](C)(O)[C@@H]2O,C14H19NO6,,297.121237328,FFIHXENRVXVAGQ,Amino acids and Peptides,Cyclic polyketides,3-Spirotetramic acids,Curvularia pallescens,868065.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Dothideomycetes'],['Pleosporales'],['Pleosporaceae'],['Unknown'],['Cochliobolus'],['Pseudocochliobolus pallescens'],1,0,3.147047996520996 107143,4265,551,Shikimates and Phenylpropanoids,Monoterpenoids,Simple phenolic acids,0.536762,ISDB,FFIHXENRVXVAGQ-UVLSWTAMSA-N,"InChI=1S/C14H19NO6/c1-4-5-8-6-7-9(16)10(17)14(8)11(18)13(2,20)15(21-3)12(14)19/h5-7,10-11,17-18,20H,4H2,1-3H3/b8-5-/t10-,11+,13-,14-/m1/s1",CC/C=C1/C=CC(=O)[C@@H](O)[C@]12C(=O)N(OC)[C@](C)(O)[C@@H]2O,C14H19NO6,,297.121237328,FFIHXENRVXVAGQ,Amino acids and Peptides,Cyclic polyketides,3-Spirotetramic acids,Staphylotrichum coccosporum,630050.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Sordariales'],['Chaetomiaceae'],['Unknown'],['Staphylotrichum'],['Staphylotrichum coccosporum'],1,0,3.147047996520996 107144,4265,551,Shikimates and Phenylpropanoids,Monoterpenoids,Simple phenolic acids,0.536762,ISDB,FFIHXENRVXVAGQ-KZZKGCKGSA-N,"InChI=1S/C14H19NO6/c1-4-5-8-6-7-9(16)10(17)14(8)11(18)13(2,20)15(21-3)12(14)19/h5-7,10-11,17-18,20H,4H2,1-3H3/b8-5-/t10-,11-,13+,14+/m0/s1",CC/C=C1/C=CC(=O)[C@H](O)[C@]12C(=O)N(OC)[C@](C)(O)[C@@H]2O,C14H19NO6,,297.121237328,FFIHXENRVXVAGQ,Amino acids and Peptides,Cyclic polyketides,3-Spirotetramic acids,Drechslera,432344.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Dothideomycetes'],['Pleosporales'],['Pleosporaceae'],['Unknown'],['Drechslera'],['Unknown'],1,0,3.147047996520996 107145,4265,551,Shikimates and Phenylpropanoids,Monoterpenoids,Simple phenolic acids,0.536762,ISDB,FFIHXENRVXVAGQ-KZZKGCKGSA-N,"InChI=1S/C14H19NO6/c1-4-5-8-6-7-9(16)10(17)14(8)11(18)13(2,20)15(21-3)12(14)19/h5-7,10-11,17-18,20H,4H2,1-3H3/b8-5-/t10-,11-,13+,14+/m0/s1",CC/C=C1/C=CC(=O)[C@H](O)[C@]12C(=O)N(OC)[C@](C)(O)[C@@H]2O,C14H19NO6,,297.121237328,FFIHXENRVXVAGQ,Amino acids and Peptides,Cyclic polyketides,3-Spirotetramic acids,Pyrenophora tritici-repentis,85506.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Dothideomycetes'],['Pleosporales'],['Pleosporaceae'],['Unknown'],['Pyrenophora'],['Pyrenophora tritici-repentis'],1,0,3.147047996520996 107078,4264,-1,,,,0.0,MS1_match,AMBQHHVBBHTQBF-UOUCRYGSSA-N,"InChI=1S/C17H26O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6-,7+,9-,10+,11+,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](C)[C@@H](O)C[C@H]12,C17H26O10,pos_1_1proton1acetonitrile,390.1525970319999,AMBQHHVBBHTQBF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera angustifolia,6061340.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera angustifolia'],7,0,7.0 107079,4264,-1,,,,0.0,MS1_match,AMBQHHVBBHTQBF-UOUCRYGSSA-N,"InChI=1S/C17H26O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6-,7+,9-,10+,11+,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](C)[C@@H](O)C[C@H]12,C17H26O10,pos_1_1proton1acetonitrile,390.1525970319999,AMBQHHVBBHTQBF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera morrowii,484242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],7,0,7.0 107080,4264,-1,,,,0.0,MS1_match,AMBQHHVBBHTQBF-UOUCRYGSSA-N,"InChI=1S/C17H26O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6-,7+,9-,10+,11+,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](C)[C@@H](O)C[C@H]12,C17H26O10,pos_1_1proton1acetonitrile,390.1525970319999,AMBQHHVBBHTQBF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],7,0,7.0 107081,4264,-1,,,,0.0,MS1_match,AMBQHHVBBHTQBF-UOUCRYGSSA-N,"InChI=1S/C17H26O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6-,7+,9-,10+,11+,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](C)[C@@H](O)C[C@H]12,C17H26O10,pos_1_1proton1acetonitrile,390.1525970319999,AMBQHHVBBHTQBF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera periclymenum,811893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera periclymenum'],7,0,7.0 107082,4264,-1,,,,0.0,MS1_match,AMBQHHVBBHTQBF-UOUCRYGSSA-N,"InChI=1S/C17H26O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6-,7+,9-,10+,11+,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](C)[C@@H](O)C[C@H]12,C17H26O10,pos_1_1proton1acetonitrile,390.1525970319999,AMBQHHVBBHTQBF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera angustifolia,6061340.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera angustifolia'],7,0,7.0 107083,4264,-1,,,,0.0,MS1_match,AMBQHHVBBHTQBF-UHFFFAOYSA-N,"InChI=1S/C17H26O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,9-14,16-22H,3-4H2,1-2H3",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1CC(O)C2C,C17H26O10,pos_1_1proton1acetonitrile,390.1525970319999,AMBQHHVBBHTQBF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 107084,4264,-1,,,,0.0,MS1_match,AMBQHHVBBHTQBF-UOUCRYGSSA-N,"InChI=1S/C17H26O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6-,7+,9-,10+,11+,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](C)[C@@H](O)C[C@H]12,C17H26O10,pos_1_1proton1acetonitrile,390.1525970319999,AMBQHHVBBHTQBF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera periclymenum,811893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera periclymenum'],7,0,7.0 107085,4264,-1,,,,0.0,MS1_match,AMBQHHVBBHTQBF-UOUCRYGSSA-N,"InChI=1S/C17H26O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6-,7+,9-,10+,11+,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](C)[C@@H](O)C[C@H]12,C17H26O10,pos_1_1proton1acetonitrile,390.1525970319999,AMBQHHVBBHTQBF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera tatarica,980069.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],7,0,7.0 107086,4264,-1,,,,0.0,MS1_match,AMBQHHVBBHTQBF-UOUCRYGSSA-N,"InChI=1S/C17H26O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6-,7+,9-,10+,11+,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](C)[C@@H](O)C[C@H]12,C17H26O10,pos_1_1proton1acetonitrile,390.1525970319999,AMBQHHVBBHTQBF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera tatarica,980069.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],7,0,7.0 107087,4264,-1,,,,0.0,MS1_match,AMBQHHVBBHTQBF-UOUCRYGSSA-N,"InChI=1S/C17H26O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6-,7+,9-,10+,11+,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](C)[C@@H](O)C[C@H]12,C17H26O10,pos_1_1proton1acetonitrile,390.1525970319999,AMBQHHVBBHTQBF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],7,0,7.0 107088,4264,-1,,,,0.0,MS1_match,AMBQHHVBBHTQBF-UOUCRYGSSA-N,"InChI=1S/C17H26O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6-,7+,9-,10+,11+,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](C)[C@@H](O)C[C@H]12,C17H26O10,pos_1_1proton1acetonitrile,390.1525970319999,AMBQHHVBBHTQBF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera quinquelocularis,118025.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera quinquelocularis'],7,0,7.0 107089,4264,-1,,,,0.0,MS1_match,AMBQHHVBBHTQBF-UOUCRYGSSA-N,"InChI=1S/C17H26O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6-,7+,9-,10+,11+,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](C)[C@@H](O)C[C@H]12,C17H26O10,pos_1_1proton1acetonitrile,390.1525970319999,AMBQHHVBBHTQBF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera dioica,920862.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera dioica'],7,0,7.0 107090,4264,-1,,,,0.0,MS1_match,AMBQHHVBBHTQBF-UOUCRYGSSA-N,"InChI=1S/C17H26O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6-,7+,9-,10+,11+,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](C)[C@@H](O)C[C@H]12,C17H26O10,pos_1_1proton1acetonitrile,390.1525970319999,AMBQHHVBBHTQBF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera morrowii,484242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],7,0,7.0 107091,4264,-1,,,,0.0,MS1_match,AMBQHHVBBHTQBF-UHFFFAOYSA-N,"InChI=1S/C17H26O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,9-14,16-22H,3-4H2,1-2H3",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1CC(O)C2C,C17H26O10,pos_1_1proton1acetonitrile,390.1525970319999,AMBQHHVBBHTQBF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera macrantha,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 107092,4264,-1,,,,0.0,MS1_match,AMBQHHVBBHTQBF-UOUCRYGSSA-N,"InChI=1S/C17H26O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6-,7+,9-,10+,11+,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](C)[C@@H](O)C[C@H]12,C17H26O10,pos_1_1proton1acetonitrile,390.1525970319999,AMBQHHVBBHTQBF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera korolkowii,692192.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera korolkowii'],7,0,7.0 107093,4264,-1,,,,0.0,MS1_match,AMBQHHVBBHTQBF-UHFFFAOYSA-N,"InChI=1S/C17H26O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,9-14,16-22H,3-4H2,1-2H3",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1CC(O)C2C,C17H26O10,pos_1_1proton1acetonitrile,390.1525970319999,AMBQHHVBBHTQBF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 107094,4264,-1,,,,0.0,MS1_match,AMBQHHVBBHTQBF-UHFFFAOYSA-N,"InChI=1S/C17H26O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,9-14,16-22H,3-4H2,1-2H3",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1CC(O)C2C,C17H26O10,pos_1_1proton1acetonitrile,390.1525970319999,AMBQHHVBBHTQBF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera confusa,594829.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera confusa'],7,0,7.0 107095,4264,-1,,,,0.0,MS1_match,AMBQHHVBBHTQBF-UHFFFAOYSA-N,"InChI=1S/C17H26O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,9-14,16-22H,3-4H2,1-2H3",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1CC(O)C2C,C17H26O10,pos_1_1proton1acetonitrile,390.1525970319999,AMBQHHVBBHTQBF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera hypoglauca,235196.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera hypoglauca'],7,0,7.0 107096,4264,-1,,,,0.0,MS1_match,AMBQHHVBBHTQBF-UHFFFAOYSA-N,"InChI=1S/C17H26O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,9-14,16-22H,3-4H2,1-2H3",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1CC(O)C2C,C17H26O10,pos_1_1proton1acetonitrile,390.1525970319999,AMBQHHVBBHTQBF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera fulvotomentosa,650610.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera fulvotomentosa'],7,0,7.0 107097,4264,-1,,,,0.0,MS1_match,AMBQHHVBBHTQBF-UHFFFAOYSA-N,"InChI=1S/C17H26O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,9-14,16-22H,3-4H2,1-2H3",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1CC(O)C2C,C17H26O10,pos_1_1proton1acetonitrile,390.1525970319999,AMBQHHVBBHTQBF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera macrantha,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 107098,4264,-1,,,,0.0,MS1_match,AMBQHHVBBHTQBF-UOUCRYGSSA-N,"InChI=1S/C17H26O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6-,7+,9-,10+,11+,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](C)[C@@H](O)C[C@H]12,C17H26O10,pos_1_1proton1acetonitrile,390.1525970319999,AMBQHHVBBHTQBF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera quinquelocularis,118025.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera quinquelocularis'],7,0,7.0 107099,4264,-1,,,,0.0,MS1_match,AMBQHHVBBHTQBF-UHFFFAOYSA-N,"InChI=1S/C17H26O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,9-14,16-22H,3-4H2,1-2H3",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1CC(O)C2C,C17H26O10,pos_1_1proton1acetonitrile,390.1525970319999,AMBQHHVBBHTQBF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera fulvotomentosa,650610.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera fulvotomentosa'],7,0,7.0 107100,4264,-1,,,,0.0,MS1_match,AMBQHHVBBHTQBF-UHFFFAOYSA-N,"InChI=1S/C17H26O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,9-14,16-22H,3-4H2,1-2H3",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1CC(O)C2C,C17H26O10,pos_1_1proton1acetonitrile,390.1525970319999,AMBQHHVBBHTQBF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera hypoglauca,235196.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera hypoglauca'],7,0,7.0 107101,4264,-1,,,,0.0,MS1_match,AMBQHHVBBHTQBF-UHFFFAOYSA-N,"InChI=1S/C17H26O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,9-14,16-22H,3-4H2,1-2H3",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1CC(O)C2C,C17H26O10,pos_1_1proton1acetonitrile,390.1525970319999,AMBQHHVBBHTQBF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera confusa,594829.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera confusa'],7,0,7.0 107102,4264,-1,,,,0.0,MS1_match,AMBQHHVBBHTQBF-UOUCRYGSSA-N,"InChI=1S/C17H26O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6-,7+,9-,10+,11+,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](C)[C@@H](O)C[C@H]12,C17H26O10,pos_1_1proton1acetonitrile,390.1525970319999,AMBQHHVBBHTQBF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera dioica,920862.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera dioica'],7,0,7.0 107103,4264,-1,,,,0.0,MS1_match,AMBQHHVBBHTQBF-UOUCRYGSSA-N,"InChI=1S/C17H26O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6-,7+,9-,10+,11+,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](C)[C@@H](O)C[C@H]12,C17H26O10,pos_1_1proton1acetonitrile,390.1525970319999,AMBQHHVBBHTQBF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera korolkowii,692192.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera korolkowii'],7,0,7.0 107077,4263,1404,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,LTRLDPJSMLPKMF-YKXWAFRCSA-N,"InChI=1S/C25H40O10/c1-12-9-14(26)10-25(3,4)15(12)6-5-13(2)34-24-23(32)22(31)21(30)18(35-24)11-33-17-8-7-16(27)19(28)20(17)29/h5-6,9,13,15-24,27-32H,7-8,10-11H2,1-4H3/b6-5+/t13-,15+,16+,17-,18-,19+,20+,21-,22+,23-,24-/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@@H](C)O[C@@H]1O[C@H](CO[C@@H]2CC[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C25H40O10,pos_2_1proton1potassium,500.26214748,LTRLDPJSMLPKMF,Terpenoids,Apocarotenoids,Megastigmanes,Lonicera gracilipes,920854.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera gracilipes'],7,3,8.5 106904,4257,91,Terpenoids,Monoterpenoids,Lactones,0.0,MS1_match,FKUPPRZPSYCDRS-UHFFFAOYSA-N,InChI=1S/C15H28O2/c16-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-17-15/h1-14H2,O=C1CCCCCCCCCCCCCCO1,C15H28O2,pos_1_1proton,240.208930136,FKUPPRZPSYCDRS,Fatty acids,Fatty esters,Lactones,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 106901,4255,551,Shikimates and Phenylpropanoids,Monoterpenoids,Simple phenolic acids,0.0,MS1_match,HCGUNEDCTVLVNP-HVLDEAOBSA-N,"InChI=1S/C27H38O10/c1-15(2)8-22(29)35-14-27(32)21(36-23(30)9-16(3)4)11-20-19(12-33-18(7)28)13-34-26(25(20)27)37-24(31)10-17(5)6/h10-11,13,15-16,21,25-26,32H,8-9,12,14H2,1-7H3/t21-,25+,26-,27+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)C=C(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]2(O)COC(=O)CC(C)C,C27H38O10,pos_2_2sodium,522.2464974159999,HCGUNEDCTVLVNP,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana sorbifolia,445623.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana sorbifolia'],6,2,7.0 106899,4252,183,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,XMHIUKTWLZUKEX-UHFFFAOYSA-N,"InChI=1S/C26H52O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27)28/h2-25H2,1H3,(H,27,28)",CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O,C26H52O2,pos_1_1proton1methanol,396.3967309039999,XMHIUKTWLZUKEX,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,3,7.5 106900,4252,183,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,XMHIUKTWLZUKEX-UHFFFAOYSA-N,"InChI=1S/C26H52O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27)28/h2-25H2,1H3,(H,27,28)",CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O,C26H52O2,pos_1_1proton1methanol,396.3967309039999,XMHIUKTWLZUKEX,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Nardostachys jatamansi,24101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Nardostachys'],['Nardostachys jatamansi'],6,3,7.5 106897,4246,-1,,,,0.0,MS1_match,HAOOAXFIOQPXIQ-RQAIGCQISA-N,"InChI=1S/C29H44O15/c1-6-13-14(8-20(37-3)38-4)17(11-41-28(13)44-29-24(33)23(32)22(31)19(9-30)43-29)25(34)42-18-7-15-16(12(18)2)10-40-27(36)21(15)26(35)39-5/h6,11-16,18-24,27-33,36H,1,7-10H2,2-5H3/t12-,13+,14+,15-,16+,18+,19-,21+,22+,23+,24-,27+,28+,29+/m1/s1",C=C[C@@H]1[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)O[C@H]2C[C@@H]3[C@@H](CO[C@H](O)[C@@H]3C(=O)OC)[C@H]2C)[C@H]1CC(OC)OC,C29H44O15,pos_2_2sodium,632.268020708,HAOOAXFIOQPXIQ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Dipsacus inermis,776357.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Dipsacus'],['Dipsacus inermis'],6,0,6.0 106898,4246,-1,,,,0.0,MS1_match,HAOOAXFIOQPXIQ-RQAIGCQISA-N,"InChI=1S/C29H44O15/c1-6-13-14(8-20(37-3)38-4)17(11-41-28(13)44-29-24(33)23(32)22(31)19(9-30)43-29)25(34)42-18-7-15-16(12(18)2)10-40-27(36)21(15)26(35)39-5/h6,11-16,18-24,27-33,36H,1,7-10H2,2-5H3/t12-,13+,14+,15-,16+,18+,19-,21+,22+,23+,24-,27+,28+,29+/m1/s1",C=C[C@@H]1[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)O[C@H]2C[C@@H]3[C@@H](CO[C@H](O)[C@@H]3C(=O)OC)[C@H]2C)[C@H]1CC(OC)OC,C29H44O15,pos_2_2sodium,632.268020708,HAOOAXFIOQPXIQ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Dipsacus asper,365911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Dipsacus'],['Dipsacus asper'],6,0,6.0 106896,4244,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,DRYLFSKCXKHLKH-XBRJNPSZSA-O,"InChI=1S/C27H33NO13/c1-3-16-17(7-6-14-9-15(24(35)36)11-28(10-14)8-4-5-20(30)31)18(25(37)38-2)13-39-26(16)41-27-23(34)22(33)21(32)19(12-29)40-27/h3,6-7,9-11,13,16-17,19,21-23,26-27,29,32-34H,1,4-5,8,12H2,2H3,(H-,30,31,35,36)/p+1/b7-6+/t16-,17+,19-,21-,22+,23-,26+,27+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1/C=C/c1cc(C(=O)O)c[n+](CCCC(=O)O)c1,C27H34NO13+,pos_1_1proton1isopropanol,580.20246656809,DRYLFSKCXKHLKH,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 106892,4242,-1,,,,0.22682622,ISDB,,,,,,,VDWVQLTYVQQUDC,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.9073048830032349 106881,4240,-1,,,,0.0,MS1_match,DJCYVGGVILUPNY-CNSIFVFBSA-N,"InChI=1S/C15H22O5/c1-7(2)15-10(17)6-14(4,19-20-15)12-9(16)5-8(3)11(12)13(15)18/h7-8,10,13,17-18H,5-6H2,1-4H3/t8-,10-,13+,14+,15+/m1/s1",CC(C)[C@]12OO[C@@](C)(C[C@H]1O)C1=C([C@H](C)CC1=O)[C@@H]2O,C15H22O5,pos_1_1proton,282.146723804,DJCYVGGVILUPNY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Nardostachys jatamansi,24101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Nardostachys'],['Nardostachys jatamansi'],6,0,6.0 106882,4240,-1,,,,0.0,MS1_match,DJCYVGGVILUPNY-MTVVJKOXSA-N,"InChI=1S/C15H22O5/c1-7(2)15-10(17)6-14(4,19-20-15)12-9(16)5-8(3)11(12)13(15)18/h7-8,10,13,17-18H,5-6H2,1-4H3/t8-,10+,13-,14-,15+/m1/s1",CC(C)[C@]12OO[C@](C)(C[C@@H]1O)C1=C([C@H](C)CC1=O)[C@H]2O,C15H22O5,pos_1_1proton,282.146723804,DJCYVGGVILUPNY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,0,6.0 106883,4240,-1,,,,0.0,MS1_match,QIVAZRNVKKOUNT-UHFFFAOYSA-N,"InChI=1S/C30H44O10/c1-28-9-7-17(39-27-26(36)25(35)24(34)21(13-31)40-27)11-16(28)4-5-19-18(28)8-10-29(2)23(20(32)12-30(19,29)37)15-3-6-22(33)38-14-15/h3,6,14,16-21,23-27,31-32,34-37H,4-5,7-13H2,1-2H3",CC12CCC(OC3OC(CO)C(O)C(O)C3O)CC1CCC1C2CCC2(C)C(c3ccc(=O)oc3)C(O)CC12O,C30H44O10,pos_2_2proton,564.293447608,QIVAZRNVKKOUNT,Terpenoids,Steroids,Bufadienolides,Helleborus thibetanus,948050.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Helleboreae'],['Helleborus'],['Helleborus thibetanus'],6,0,6.0 106884,4240,-1,,,,0.0,MS1_match,XWZIOEXOWFDMDQ-VMOHQDNESA-N,"InChI=1S/C43H68O15/c1-19-15-22-33(38(5,6)56-20(2)45)58-43(57-22)32(19)39(7)13-14-42-18-41(42)12-11-26(37(3,4)24(41)9-10-25(42)40(39,8)36(43)51)54-35-31(27(47)21(46)17-52-35)55-34-30(50)29(49)28(48)23(16-44)53-34/h19,21-36,44,46-51H,9-18H2,1-8H3/t19-,21-,22-,23-,24+,25+,26+,27+,28-,29+,30-,31-,32-,33+,34+,35+,36-,39-,40-,41-,42+,43+/m1/s1",CC(=O)OC(C)(C)[C@H]1O[C@@]23O[C@@H]1C[C@@H](C)[C@@H]2[C@@]1(C)CC[C@@]24C[C@@]25CC[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@@H]5CC[C@H]4[C@]1(C)[C@H]3O,C43H68O15,pos_3_2proton1sodium,824.455821476,XWZIOEXOWFDMDQ,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Actaea cimicifuga,988720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea cimicifuga'],6,0,6.0 106885,4240,-1,,,,0.0,MS1_match,XWZIOEXOWFDMDQ-UHFFFAOYSA-N,"InChI=1S/C43H68O15/c1-19-15-22-33(38(5,6)56-20(2)45)58-43(57-22)32(19)39(7)13-14-42-18-41(42)12-11-26(37(3,4)24(41)9-10-25(42)40(39,8)36(43)51)54-35-31(27(47)21(46)17-52-35)55-34-30(50)29(49)28(48)23(16-44)53-34/h19,21-36,44,46-51H,9-18H2,1-8H3",CC(=O)OC(C)(C)C1OC23OC1CC(C)C2C1(C)CCC24CC25CCC(OC2OCC(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(C)(C)C5CCC4C1(C)C3O,C43H68O15,pos_3_2proton1sodium,824.455821476,XWZIOEXOWFDMDQ,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Actaea elata,988729.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea elata'],6,0,6.0 106886,4240,-1,,,,0.0,MS1_match,HPRHGTLPRJTVNM-NXNNEOOXSA-N,"InChI=1S/C43H68O15/c1-19(15-22(54-20(2)45)35-39(5,6)58-35)27-29(48)34(52)41(8)25-10-9-24-38(3,4)26(11-12-42(24)18-43(25,42)14-13-40(27,41)7)56-36-32(51)33(21(46)17-53-36)57-37-31(50)30(49)28(47)23(16-44)55-37/h19,21-28,30-37,44,46-47,49-52H,9-18H2,1-8H3/t19-,21-,22-,23-,24+,25+,26+,27+,28-,30+,31-,32-,33+,34+,35-,36+,37+,40-,41-,42-,43+/m1/s1",CC(=O)O[C@H](C[C@@H](C)[C@H]1C(=O)[C@H](O)[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@@H]5OC[C@@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H]5O)CC[C@@]45C[C@@]35CC[C@]12C)[C@H]1OC1(C)C,C43H68O15,pos_3_2proton1sodium,824.455821476,HPRHGTLPRJTVNM,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Actaea simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],6,0,6.0 106887,4240,-1,,,,0.0,MS1_match,HPRHGTLPRJTVNM-NXNNEOOXSA-N,"InChI=1S/C43H68O15/c1-19(15-22(54-20(2)45)35-39(5,6)58-35)27-29(48)34(52)41(8)25-10-9-24-38(3,4)26(11-12-42(24)18-43(25,42)14-13-40(27,41)7)56-36-32(51)33(21(46)17-53-36)57-37-31(50)30(49)28(47)23(16-44)55-37/h19,21-28,30-37,44,46-47,49-52H,9-18H2,1-8H3/t19-,21-,22-,23-,24+,25+,26+,27+,28-,30+,31-,32-,33+,34+,35-,36+,37+,40-,41-,42-,43+/m1/s1",CC(=O)O[C@H](C[C@@H](C)[C@H]1C(=O)[C@H](O)[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@@H]5OC[C@@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H]5O)CC[C@@]45C[C@@]35CC[C@]12C)[C@H]1OC1(C)C,C43H68O15,pos_3_2proton1sodium,824.455821476,HPRHGTLPRJTVNM,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Cimicifuga simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],6,0,6.0 106888,4240,-1,,,,0.0,MS1_match,VRTOHUISKSQPCV-AJVLAEJVSA-N,"InChI=1S/C43H68O15/c1-19-15-22-33(38(5,6)56-20(2)45)58-43(57-22)32(19)39(7)13-14-42-18-41(42)12-11-26(37(3,4)24(41)9-10-25(42)40(39,8)36(43)51)54-34-30(50)31(21(46)17-52-34)55-35-29(49)28(48)27(47)23(16-44)53-35/h19,21-36,44,46-51H,9-18H2,1-8H3/t19-,21-,22-,23-,24+,25+,26+,27-,28+,29-,30-,31+,32-,33+,34+,35+,36-,39-,40-,41-,42+,43+/m1/s1",CC(=O)OC(C)(C)[C@H]1O[C@@]23O[C@@H]1C[C@@H](C)[C@@H]2[C@@]1(C)CC[C@@]24C[C@@]25CC[C@H](O[C@@H]2OC[C@@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H]2O)C(C)(C)[C@@H]5CC[C@H]4[C@]1(C)[C@H]3O,C43H68O15,pos_3_2proton1sodium,824.455821476,VRTOHUISKSQPCV,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Actaea simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],6,0,6.0 106889,4240,-1,,,,0.0,MS1_match,VRTOHUISKSQPCV-AJVLAEJVSA-N,"InChI=1S/C43H68O15/c1-19-15-22-33(38(5,6)56-20(2)45)58-43(57-22)32(19)39(7)13-14-42-18-41(42)12-11-26(37(3,4)24(41)9-10-25(42)40(39,8)36(43)51)54-34-30(50)31(21(46)17-52-34)55-35-29(49)28(48)27(47)23(16-44)53-35/h19,21-36,44,46-51H,9-18H2,1-8H3/t19-,21-,22-,23-,24+,25+,26+,27-,28+,29-,30-,31+,32-,33+,34+,35+,36-,39-,40-,41-,42+,43+/m1/s1",CC(=O)OC(C)(C)[C@H]1O[C@@]23O[C@@H]1C[C@@H](C)[C@@H]2[C@@]1(C)CC[C@@]24C[C@@]25CC[C@H](O[C@@H]2OC[C@@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H]2O)C(C)(C)[C@@H]5CC[C@H]4[C@]1(C)[C@H]3O,C43H68O15,pos_3_2proton1sodium,824.455821476,VRTOHUISKSQPCV,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Cimicifuga simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],6,0,6.0 106880,4238,-1,,,,0.30442086,ISDB,,,,,,,FLQFEHUBZHWSIB,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.2176834344863892 106871,4237,-1,,,,0.0,MS1_match,JZJSMQHXFBDMBB-RTQWZQBFSA-N,"InChI=1S/C42H68O14/c1-37(2)13-15-42(36(52)56-35-33(51)31(49)29(47)24(55-35)19-53-34-32(50)30(48)28(46)23(18-43)54-34)16-14-40(5)21(22(42)17-37)7-8-26-38(3)11-10-27(45)39(4,20-44)25(38)9-12-41(26,40)6/h7,22-35,43-51H,8-20H2,1-6H3/t22-,23+,24+,25+,26+,27-,28+,29+,30-,31-,32+,33+,34+,35-,38-,39-,40+,41+,42-/m0/s1",CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C42H68O14,pos_2_2sodium,796.4609068560001,JZJSMQHXFBDMBB,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lonicera macrantha,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 106872,4237,-1,,,,0.0,MS1_match,JZJSMQHXFBDMBB-RTQWZQBFSA-N,"InChI=1S/C42H68O14/c1-37(2)13-15-42(36(52)56-35-33(51)31(49)29(47)24(55-35)19-53-34-32(50)30(48)28(46)23(18-43)54-34)16-14-40(5)21(22(42)17-37)7-8-26-38(3)11-10-27(45)39(4,20-44)25(38)9-12-41(26,40)6/h7,22-35,43-51H,8-20H2,1-6H3/t22-,23+,24+,25+,26+,27-,28+,29+,30-,31-,32+,33+,34+,35-,38-,39-,40+,41+,42-/m0/s1",CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C42H68O14,pos_2_2sodium,796.4609068560001,JZJSMQHXFBDMBB,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lonicera macrantha,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 106873,4237,-1,,,,0.0,MS1_match,YEBCEGBBUMGPQI-OLTREEDVSA-N,"InChI=1S/C42H68O14/c1-37(2)13-15-42(36(52)56-35-33(51)31(49)29(47)24(19-44)54-35)16-14-40(5)21(22(42)17-37)7-8-26-38(3)11-10-27(39(4,20-45)25(38)9-12-41(26,40)6)55-34-32(50)30(48)28(46)23(18-43)53-34/h7,22-35,43-51H,8-20H2,1-6H3/t22-,23+,24+,25+,26+,27-,28+,29+,30-,31-,32+,33+,34-,35-,38-,39-,40+,41+,42-/m0/s1",CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C42H68O14,pos_2_2sodium,796.4609068560001,YEBCEGBBUMGPQI,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lonicera bournei,5746380.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera bournei'],7,0,7.0 106874,4237,-1,,,,0.0,MS1_match,YEBCEGBBUMGPQI-OLTREEDVSA-N,"InChI=1S/C42H68O14/c1-37(2)13-15-42(36(52)56-35-33(51)31(49)29(47)24(19-44)54-35)16-14-40(5)21(22(42)17-37)7-8-26-38(3)11-10-27(39(4,20-45)25(38)9-12-41(26,40)6)55-34-32(50)30(48)28(46)23(18-43)53-34/h7,22-35,43-51H,8-20H2,1-6H3/t22-,23+,24+,25+,26+,27-,28+,29+,30-,31-,32+,33+,34-,35-,38-,39-,40+,41+,42-/m0/s1",CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C42H68O14,pos_2_2sodium,796.4609068560001,YEBCEGBBUMGPQI,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lonicera bournei,5746380.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera bournei'],7,0,7.0 106875,4237,-1,,,,0.0,MS1_match,ORESVIJUAVPRJL-XUJNLDPJSA-N,"InChI=1S/C42H68O14/c1-20(2)21-9-14-42(37(52)56-36-34(51)32(49)30(47)24(18-44)54-36)16-15-40(5)22(28(21)42)7-8-26-38(3)12-11-27(39(4,19-45)25(38)10-13-41(26,40)6)55-35-33(50)31(48)29(46)23(17-43)53-35/h21-36,43-51H,1,7-19H2,2-6H3/t21-,22+,23+,24+,25+,26+,27-,28+,29+,30+,31-,32-,33+,34+,35-,36-,38-,39-,40+,41+,42-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]12,C42H68O14,pos_2_2sodium,796.460906856,ORESVIJUAVPRJL,Terpenoids,Triterpenoids,Lupane triterpenoids,Lonicera bournei,5746380.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera bournei'],7,0,7.0 106870,4236,-1,,,,0.0,MS1_match,BOPNBEMHPYANDR-QSHXVNPLSA-N,"InChI=1S/C17H22O11/c1-5(20)10-6(21)2-7(22)11(13(10)24)15-9(4-19)26-16-14(25)12(23)8(3-18)27-17(16)28-15/h2,8-9,12,14-19,21-25H,3-4H2,1H3/t8-,9+,12-,14+,15-,16-,17+/m1/s1",CC(=O)c1c(O)cc(O)c([C@@H]2O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@H]2CO)c1O,C17H22O11,pos_1_1proton2acetonitrile,402.116211524,BOPNBEMHPYANDR,Polyketides,Phloroglucinols,Acyl phloroglucinols,Eriocapitella tomentosa,5737682.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Anemone'],['Anemone tomentosa'],7,0,7.0 106863,4233,-1,,,,0.0,MS1_match,SFLMUHDGSQZDOW-FAOXUISGSA-N,"InChI=1S/C16H22O8/c1-22-11-7-9(3-2-6-17)4-5-10(11)23-16-15(21)14(20)13(19)12(8-18)24-16/h2-5,7,12-21H,6,8H2,1H3/b3-2+/t12-,13-,14+,15-,16-/m1/s1",COc1cc(/C=C/CO)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H22O8,pos_2MNa,342.131467664,SFLMUHDGSQZDOW,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,0,6.0 106864,4233,-1,,,,0.0,MS1_match,SFLMUHDGSQZDOW-FAOXUISGSA-N,"InChI=1S/C16H22O8/c1-22-11-7-9(3-2-6-17)4-5-10(11)23-16-15(21)14(20)13(19)12(8-18)24-16/h2-5,7,12-21H,6,8H2,1H3/b3-2+/t12-,13-,14+,15-,16-/m1/s1",COc1cc(/C=C/CO)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H22O8,pos_2MNa,342.131467664,SFLMUHDGSQZDOW,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Nardostachys jatamansi,24101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Nardostachys'],['Nardostachys jatamansi'],6,0,6.0 106865,4233,-1,,,,0.0,MS1_match,SFLMUHDGSQZDOW-FAOXUISGSA-N,"InChI=1S/C16H22O8/c1-22-11-7-9(3-2-6-17)4-5-10(11)23-16-15(21)14(20)13(19)12(8-18)24-16/h2-5,7,12-21H,6,8H2,1H3/b3-2+/t12-,13-,14+,15-,16-/m1/s1",COc1cc(/C=C/CO)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H22O8,pos_2MNa,342.131467664,SFLMUHDGSQZDOW,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 106866,4233,-1,,,,0.0,MS1_match,SFLMUHDGSQZDOW-FAOXUISGSA-N,"InChI=1S/C16H22O8/c1-22-11-7-9(3-2-6-17)4-5-10(11)23-16-15(21)14(20)13(19)12(8-18)24-16/h2-5,7,12-21H,6,8H2,1H3/b3-2+/t12-,13-,14+,15-,16-/m1/s1",COc1cc(/C=C/CO)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H22O8,pos_2MNa,342.131467664,SFLMUHDGSQZDOW,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,0,6.0 106867,4233,-1,,,,0.0,MS1_match,SFLMUHDGSQZDOW-FAOXUISGSA-N,"InChI=1S/C16H22O8/c1-22-11-7-9(3-2-6-17)4-5-10(11)23-16-15(21)14(20)13(19)12(8-18)24-16/h2-5,7,12-21H,6,8H2,1H3/b3-2+/t12-,13-,14+,15-,16-/m1/s1",COc1cc(/C=C/CO)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H22O8,pos_2MNa,342.131467664,SFLMUHDGSQZDOW,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Nardostachys jatamansi,24101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Nardostachys'],['Nardostachys jatamansi'],6,0,6.0 106868,4233,-1,,,,0.0,MS1_match,SFLMUHDGSQZDOW-FAOXUISGSA-N,"InChI=1S/C16H22O8/c1-22-11-7-9(3-2-6-17)4-5-10(11)23-16-15(21)14(20)13(19)12(8-18)24-16/h2-5,7,12-21H,6,8H2,1H3/b3-2+/t12-,13-,14+,15-,16-/m1/s1",COc1cc(/C=C/CO)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H22O8,pos_2MNa,342.131467664,SFLMUHDGSQZDOW,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 106869,4233,-1,,,,0.0,MS1_match,OEGZSLZSZBSXQC-PBSSREKVSA-N,"InChI=1S/C16H22O8/c1-7(2)12(18)23-14-11-15(19)5-10(22-9(4)17)16(11,20)6-21-13(24-14)8(15)3/h7,10-11,13-14,19-20H,3,5-6H2,1-2,4H3/t10-,11-,13+,14+,15-,16-/m0/s1",C=C1[C@@H]2OC[C@]3(O)[C@@H](OC(C)=O)C[C@@]1(O)[C@@H]3[C@H](OC(=O)C(C)C)O2,C16H22O8,pos_2MNa,342.131467664,OEGZSLZSZBSXQC,Terpenoids,Monoterpenoids,,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 106860,4231,327,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,XOWVMKHUWDJUHZ-CHHYLKMXSA-N,"InChI=1S/C27H34O13/c1-12-17(38-20(30)7-5-13-4-6-16(29)18(8-13)35-2)9-14-15(25(34)36-3)11-37-26(21(12)14)40-27-24(33)23(32)22(31)19(10-28)39-27/h4-8,11-12,14,17,19,21-24,26-29,31-33H,9-10H2,1-3H3/b7-5-/t12-,14+,17-,19+,21+,22+,23-,24+,26-,27-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](C)[C@@H](OC(=O)/C=C\c3ccc(O)c(OC)c3)C[C@H]12,C27H34O13,pos_1_sodium,566.199941148,XOWVMKHUWDJUHZ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera morrowii,484242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],7,3,8.5 106861,4231,327,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,XOWVMKHUWDJUHZ-CHHYLKMXSA-N,"InChI=1S/C27H34O13/c1-12-17(38-20(30)7-5-13-4-6-16(29)18(8-13)35-2)9-14-15(25(34)36-3)11-37-26(21(12)14)40-27-24(33)23(32)22(31)19(10-28)39-27/h4-8,11-12,14,17,19,21-24,26-29,31-33H,9-10H2,1-3H3/b7-5-/t12-,14+,17-,19+,21+,22+,23-,24+,26-,27-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](C)[C@@H](OC(=O)/C=C\c3ccc(O)c(OC)c3)C[C@H]12,C27H34O13,pos_1_sodium,566.199941148,XOWVMKHUWDJUHZ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera insularis,5746388.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera insularis'],7,3,8.5 106859,4230,303,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,0.22541216,ISDB,,,,,,,QPHICNLPZQPLCU,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.9016486406326294 106856,4228,-1,,,,0.76304144,ISDB,BVNVXEMVVHSCAF-SHHOIMCASA-N,"InChI=1S/C27H52O/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-27(28)25-6-4-2/h24,26H,3-23,25H2,1-2H3/b26-24+",CCCCCCCCCCCCCCCCCCCC/C=C/C(=O)CCCC,C27H52O,,392.401816284,BVNVXEMVVHSCAF,Fatty acids,Fatty acyls,Hydrocarbons,Ulva lactuca,13962.0,['Eukaryota'],['Archaeplastida'],['Chlorophyta'],['Ulvophyceae'],['Ulvales'],['Ulvaceae'],['Unknown'],['Ulva'],['Ulva lactuca'],2,0,5.052165746688843 106855,4222,254,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,WZDQZUZGMJUYFF-ZZQRAECTSA-N,"InChI=1S/C25H34O8/c1-14(2)7-20(26)29-11-17-12-30-24(33-22(28)9-16(5)6)23-18(17)10-19(25(23)13-31-25)32-21(27)8-15(3)4/h9-10,12,14-15,19,23-24H,7-8,11,13H2,1-6H3/t19-,23+,24-,25+/m0/s1",CC(C)=CC(=O)O[C@@H]1OC=C(COC(=O)CC(C)C)C2=C[C@H](OC(=O)CC(C)C)[C@]3(CO3)[C@H]21,C25H34O8,pos_2_2sodium,462.2253680479999,WZDQZUZGMJUYFF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana sorbifolia,445623.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana sorbifolia'],6,3,7.5 106853,4216,62,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,FYLXQAYYBFZLSK-DYMUGMOBSA-N,"InChI=1S/C21H32O11/c1-5-11-12(6-15-29-9(2)10(3)30-15)13(19(26)27-4)8-28-20(11)32-21-18(25)17(24)16(23)14(7-22)31-21/h5,8-12,14-18,20-25H,1,6-7H2,2-4H3/t9-,10+,11-,12-,14+,15-,16+,17-,18+,20-,21-/m0/s1",C=C[C@@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1C[C@H]1O[C@@H](C)[C@@H](C)O1,C21H32O11,pos_1_1proton1ammonium,460.194461844,FYLXQAYYBFZLSK,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,2,8.0 106851,4213,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.42996392,ISDB,,,,,,,KIYCIOLOFSAKHH,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.7198556661605835 106767,4211,-1,,,,0.562059,ISDB,PQQITYGQJLPDFC-RKQHYHRCSA-N,"InChI=1S/C14H20O8/c15-6-10-11(18)12(19)13(20)14(22-10)21-4-3-7-1-2-8(16)9(17)5-7/h1-2,5,10-20H,3-4,6H2/t10-,11-,12+,13-,14-/m1/s1",OC[C@H]1O[C@@H](OCCc2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O8,,316.1158176,PQQITYGQJLPDFC,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Aconitum napellus,586780.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum napellus'],6,0,8.248235940933228 106766,4210,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,ZEIIWKCRPSSDKR-UHFFFAOYSA-N,"InChI=1S/C27H35NO13/c1-3-16-17(7-6-14-9-15(24(35)36)11-28(10-14)8-4-5-20(30)31)18(25(37)38-2)13-39-26(16)41-27-23(34)22(33)21(32)19(12-29)40-27/h3,6-7,9,11,13,16-17,19,21-23,26-27,29,32-34H,1,4-5,8,10,12H2,2H3,(H,30,31)(H,35,36)",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1C=CC1=CC(C(=O)O)=CN(CCCC(=O)O)C1,C27H35NO13,pos_1_1proton1methanol,581.21084018,ZEIIWKCRPSSDKR,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,2,8.0 106765,4208,145,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.24602444,ISDB,HIARXNDFUNZRAY-UHFFFAOYSA-N,"InChI=1S/C12H15NO6/c1-18-10(16)5-8-7(3-4-9(14)15)6-13-11(8)12(17)19-2/h6,13H,3-5H2,1-2H3,(H,14,15)",COC(=O)Cc1c(CCC(=O)O)c[nH]c1C(=O)OC,C12H15NO6,,269.0899372,HIARXNDFUNZRAY,,,,Monascus ruber,187724.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Monascaceae'],['Unknown'],['Monascus'],['Monascus ruber'],1,0,1.9840977787971497 106760,4204,454,Terpenoids,Monoterpenoids,Pyrrole alkaloids,0.61545694,ISDB,MLKFESWUFLKYRE-UHFFFAOYSA-N,"InChI=1S/C13H17NO5/c1-19-13(18)10-6-14(4-5-15)12(17)11-8(7-16)2-3-9(10)11/h2,6,9,11,15-16H,3-5,7H2,1H3",COC(=O)C1=CN(CCO)C(=O)C2C(CO)=CCC12,C13H17NO5,,267.110672644,MLKFESWUFLKYRE,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Gardenia jasminoides,919367.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Gardenieae'],['Gardenia'],['Gardenia jasminoides'],4,2,7.461827754974365 106757,4198,-1,,,,0.0,MS1_match,MNTSOBLYWJLVEK-UHFFFAOYSA-N,"InChI=1S/C30H18O10/c31-16-8-20(34)29-22(36)12-25(39-27(29)10-16)14-1-4-18(5-2-14)38-24-6-3-15(7-19(24)33)26-13-23(37)30-21(35)9-17(32)11-28(30)40-26/h1-13,31-35H",O=c1cc(-c2ccc(Oc3ccc(-c4cc(=O)c5c(O)cc(O)cc5o4)cc3O)cc2)oc2cc(O)cc(O)c12,C30H18O10,pos_2MH,538.089996776,MNTSOBLYWJLVEK,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 106758,4198,-1,,,,0.0,MS1_match,NNPGECDACGBKDH-UHFFFAOYSA-N,"InChI=1S/C30H18O10/c31-16-8-20(34)29-22(36)12-24(39-27(29)10-16)14-1-4-18(5-2-14)38-26-7-15(3-6-19(26)33)25-13-23(37)30-21(35)9-17(32)11-28(30)40-25/h1-13,31-35H",O=c1cc(-c2ccc(Oc3cc(-c4cc(=O)c5c(O)cc(O)cc5o4)ccc3O)cc2)oc2cc(O)cc(O)c12,C30H18O10,pos_2MH,538.0899967759999,NNPGECDACGBKDH,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 106739,4195,660,Terpenoids,Steroids,Cholestane steroids,0.21273698,ISDB,WADMTJKRYLAHQV-GYVNTCMOSA-N,"InChI=1S/C29H50O5/c1-7-17(15(2)3)27(34)26(33)16(4)19-8-9-20-18-12-23(30)22-13-24(31)25(32)14-29(22,6)21(18)10-11-28(19,20)5/h15-22,24-27,31-34H,7-14H2,1-6H3/t16-,17-,18-,19+,20-,21-,22+,24-,25+,26+,27+,28-,29+/m0/s1",CC[C@@H](C(C)C)[C@@H](O)[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@@]12C,C29H50O5,,478.3658247,WADMTJKRYLAHQV,Terpenoids,Steroids,Cholestane steroids,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],4,3,6.350947916507721 106740,4195,660,Terpenoids,Steroids,Cholestane steroids,0.21273698,ISDB,WADMTJKRYLAHQV-GYVNTCMOSA-N,"InChI=1S/C29H50O5/c1-7-17(15(2)3)27(34)26(33)16(4)19-8-9-20-18-12-23(30)22-13-24(31)25(32)14-29(22,6)21(18)10-11-28(19,20)5/h15-22,24-27,31-34H,7-14H2,1-6H3/t16-,17-,18-,19+,20-,21-,22+,24-,25+,26+,27+,28-,29+/m0/s1",CC[C@@H](C(C)C)[C@@H](O)[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@@]12C,C29H50O5,,478.3658247,WADMTJKRYLAHQV,Terpenoids,Steroids,Cholestane steroids,Oryza sativa,709894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza sativa'],4,3,6.350947916507721 106741,4195,660,Terpenoids,Steroids,Cholestane steroids,0.21273698,ISDB,WADMTJKRYLAHQV-GYVNTCMOSA-N,"InChI=1S/C29H50O5/c1-7-17(15(2)3)27(34)26(33)16(4)19-8-9-20-18-12-23(30)22-13-24(31)25(32)14-29(22,6)21(18)10-11-28(19,20)5/h15-22,24-27,31-34H,7-14H2,1-6H3/t16-,17-,18-,19+,20-,21-,22+,24-,25+,26+,27+,28-,29+/m0/s1",CC[C@@H](C(C)C)[C@@H](O)[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@@]12C,C29H50O5,,478.3658247,WADMTJKRYLAHQV,Terpenoids,Steroids,Cholestane steroids,Vicia faba,539544.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Fabeae'],['Vicia'],['Vicia faba'],4,3,6.350947916507721 106742,4195,660,Terpenoids,Steroids,Cholestane steroids,0.21273698,ISDB,WADMTJKRYLAHQV-NKOPCKDMSA-N,"InChI=1S/C29H50O5/c1-7-17(15(2)3)27(34)26(33)16(4)19-8-9-20-18-12-23(30)22-13-24(31)25(32)14-29(22,6)21(18)10-11-28(19,20)5/h15-22,24-27,31-34H,7-14H2,1-6H3/t16-,17-,18-,19+,20-,21-,22+,24-,25+,26+,27+,28+,29+/m0/s1",CC[C@@H](C(C)C)[C@@H](O)[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@]12C,C29H50O5,,478.3658247,WADMTJKRYLAHQV,Terpenoids,Steroids,Cholestane steroids,Secale cereale,553015.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Secale'],['Secale cereale'],4,3,6.350947916507721 106736,4194,-1,,,,0.0,MS1_match,NUHSROFQTUXZQQ-UHFFFAOYSA-N,"InChI=1S/C5H12O7P2/c1-5(2)3-4-11-14(9,10)12-13(6,7)8/h1,3-4H2,2H3,(H,9,10)(H2,6,7,8)",C=C(C)CCOP(=O)(O)OP(=O)(O)O,C5H12O7P2,pos_1_1proton2acetonitrile,246.005825984,NUHSROFQTUXZQQ,,,,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 106737,4194,-1,,,,0.0,MS1_match,CBIDRCWHNCKSTO-UHFFFAOYSA-N,"InChI=1S/C5H12O7P2/c1-5(2)3-4-11-14(9,10)12-13(6,7)8/h3H,4H2,1-2H3,(H,9,10)(H2,6,7,8)",CC(C)=CCOP(=O)(O)OP(=O)(O)O,C5H12O7P2,pos_1_1proton2acetonitrile,246.005825984,CBIDRCWHNCKSTO,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 106730,4192,235,,,,0.2048093,ISDB,FOOOHAFYCMYYBP-VQWGXQQGSA-N,"InChI=1S/C20H28O11/c1-8(22)10-3-5-11(6-4-10)29-20-18(16(26)14(24)12(7-21)30-20)31-19-17(27)15(25)13(23)9(2)28-19/h3-6,9,12-21,23-27H,7H2,1-2H3/t9-,12-,13-,14-,15+,16+,17-,18-,19+,20-/m0/s1",CC(=O)c1ccc(O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O[C@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@@H]2O)cc1,C20H28O11,,444.163161716,FOOOHAFYCMYYBP,,,,Polygala sibirica,853283.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Polygalaceae'],['Unknown'],['Polygala'],['Polygala sibirica'],4,0,4.819237172603607 106731,4192,235,,,,0.2048093,ISDB,FOOOHAFYCMYYBP-UHFFFAOYSA-N,"InChI=1S/C20H28O11/c1-8(22)10-3-5-11(6-4-10)29-20-18(16(26)14(24)12(7-21)30-20)31-19-17(27)15(25)13(23)9(2)28-19/h3-6,9,12-21,23-27H,7H2,1-2H3",CC(=O)c1ccc(OC2OC(CO)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)cc1,C20H28O11,,444.163161716,FOOOHAFYCMYYBP,,,,Polygala tenuifolia,378129.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Polygalaceae'],['Unknown'],['Polygala'],['Polygala tenuifolia'],4,0,4.819237172603607 106718,4191,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,UFCLZKMFXSILNL-UHFFFAOYSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(35,24(33)34)11-19(30)23(20)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,35H,11-12H2,(H,33,34)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1OC(=O)C=Cc1ccc(O)c(O)c1,C25H24O12,pos_1_1proton1ammonium,516.1267762079999,UFCLZKMFXSILNL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],8,3,9.5 106719,4191,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,UFCLZKMFXSILNL-UHFFFAOYSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(35,24(33)34)11-19(30)23(20)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,35H,11-12H2,(H,33,34)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1OC(=O)C=Cc1ccc(O)c(O)c1,C25H24O12,pos_1_1proton1ammonium,516.1267762079999,UFCLZKMFXSILNL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],8,3,9.5 106720,4191,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,UFCLZKMFXSILNL-UHFFFAOYSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(35,24(33)34)11-19(30)23(20)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,35H,11-12H2,(H,33,34)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1OC(=O)C=Cc1ccc(O)c(O)c1,C25H24O12,pos_1_1proton1ammonium,516.1267762079999,UFCLZKMFXSILNL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],8,3,9.5 106717,4182,573,,,,0.2713283,ISDB,,,,,,,VJVDYBXGAPKGPU,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.0853132009506226 106628,4181,-1,,,,0.33561683,ISDB,YWSIMWUTQXMOSD-FXAINCCUSA-N,"InChI=1S/C12H16O2/c1-8-4-3-5-9-10(13)6-7-11(14)12(8,9)2/h5-8,11,14H,3-4H2,1-2H3/t8-,11-,12+/m1/s1",C[C@@H]1CCC=C2C(=O)C=C[C@@H](O)[C@]21C,C12H16O2,,192.115029752,YWSIMWUTQXMOSD,Terpenoids,Sesquiterpenoids,Nardosinane sesquiterpenoids,Nardostachys jatamansi,24101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Nardostachys'],['Nardostachys jatamansi'],6,0,7.342467308044434 106626,4177,-1,,,,0.35828844,ISDB,YEMWKQFIGUCZFS-PBYGLRBLSA-N,"InChI=1S/C28H28O13/c1-36-20-12-16(4-8-18(20)30)6-10-24(33)39-21-13-28(27(35)37-2)40-22(26(41-28)25(21)34)14-38-23(32)9-5-15-3-7-17(29)19(31)11-15/h3-12,21-22,25-26,29-31,34H,13-14H2,1-2H3/b9-5+,10-6+/t21-,22-,25-,26-,28+/m1/s1",COC(=O)[C@]12C[C@@H](OC(=O)/C=C/c3ccc(O)c(OC)c3)[C@@H](O)[C@H](O1)[C@@H](COC(=O)/C=C/c1ccc(O)c(O)c1)O2,C28H28O13,,572.1529909559999,YEMWKQFIGUCZFS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Erigeron canadensis,1008406.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Erigeron'],['Erigeron canadensis'],4,0,5.433153748512268 106627,4177,-1,,,,0.35828844,ISDB,YEMWKQFIGUCZFS-PBYGLRBLSA-N,"InChI=1S/C28H28O13/c1-36-20-12-16(4-8-18(20)30)6-10-24(33)39-21-13-28(27(35)37-2)40-22(26(41-28)25(21)34)14-38-23(32)9-5-15-3-7-17(29)19(31)11-15/h3-12,21-22,25-26,29-31,34H,13-14H2,1-2H3/b9-5+,10-6+/t21-,22-,25-,26-,28+/m1/s1",COC(=O)[C@]12C[C@@H](OC(=O)/C=C/c3ccc(O)c(OC)c3)[C@@H](O)[C@H](O1)[C@@H](COC(=O)/C=C/c1ccc(O)c(O)c1)O2,C28H28O13,,572.1529909559999,YEMWKQFIGUCZFS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Conyza canadensis,1008406.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Erigeron'],['Erigeron canadensis'],4,0,5.433153748512268 106602,4175,937,Terpenoids,Monoterpenoids,Quinoline alkaloids,0.0,MS1_match,JNNGEAWILNVFFD-CDJYTOATSA-N,"InChI=1S/C16H24O10/c1-5-8(18)2-6-7(14(22)23)4-24-15(10(5)6)26-16-13(21)12(20)11(19)9(3-17)25-16/h4-6,8-13,15-21H,2-3H2,1H3,(H,22,23)/t5-,6+,8-,9+,10+,11+,12-,13+,15-,16-/m0/s1",C[C@@H]1[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)O)[C@H]2C[C@@H]1O,C16H24O10,pos_2MHNH3,376.1369469679999,JNNGEAWILNVFFD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,2,8.0 106603,4175,937,Terpenoids,Monoterpenoids,Quinoline alkaloids,0.0,MS1_match,JNNGEAWILNVFFD-CDJYTOATSA-N,"InChI=1S/C16H24O10/c1-5-8(18)2-6-7(14(22)23)4-24-15(10(5)6)26-16-13(21)12(20)11(19)9(3-17)25-16/h4-6,8-13,15-21H,2-3H2,1H3,(H,22,23)/t5-,6+,8-,9+,10+,11+,12-,13+,15-,16-/m0/s1",C[C@@H]1[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)O)[C@H]2C[C@@H]1O,C16H24O10,pos_2MHNH3,376.1369469679999,JNNGEAWILNVFFD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],7,2,8.0 106604,4175,937,Terpenoids,Monoterpenoids,Quinoline alkaloids,0.0,MS1_match,JNNGEAWILNVFFD-CDJYTOATSA-N,"InChI=1S/C16H24O10/c1-5-8(18)2-6-7(14(22)23)4-24-15(10(5)6)26-16-13(21)12(20)11(19)9(3-17)25-16/h4-6,8-13,15-21H,2-3H2,1H3,(H,22,23)/t5-,6+,8-,9+,10+,11+,12-,13+,15-,16-/m0/s1",C[C@@H]1[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)O)[C@H]2C[C@@H]1O,C16H24O10,pos_2MHNH3,376.1369469679999,JNNGEAWILNVFFD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera periclymenum,811893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera periclymenum'],7,2,8.0 106605,4175,937,Terpenoids,Monoterpenoids,Quinoline alkaloids,0.0,MS1_match,JNNGEAWILNVFFD-CDJYTOATSA-N,"InChI=1S/C16H24O10/c1-5-8(18)2-6-7(14(22)23)4-24-15(10(5)6)26-16-13(21)12(20)11(19)9(3-17)25-16/h4-6,8-13,15-21H,2-3H2,1H3,(H,22,23)/t5-,6+,8-,9+,10+,11+,12-,13+,15-,16-/m0/s1",C[C@@H]1[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)O)[C@H]2C[C@@H]1O,C16H24O10,pos_2MHNH3,376.1369469679999,JNNGEAWILNVFFD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera periclymenum,811893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera periclymenum'],7,2,8.0 106606,4175,937,Terpenoids,Monoterpenoids,Quinoline alkaloids,0.0,MS1_match,JNNGEAWILNVFFD-CDJYTOATSA-N,"InChI=1S/C16H24O10/c1-5-8(18)2-6-7(14(22)23)4-24-15(10(5)6)26-16-13(21)12(20)11(19)9(3-17)25-16/h4-6,8-13,15-21H,2-3H2,1H3,(H,22,23)/t5-,6+,8-,9+,10+,11+,12-,13+,15-,16-/m0/s1",C[C@@H]1[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)O)[C@H]2C[C@@H]1O,C16H24O10,pos_2MHNH3,376.1369469679999,JNNGEAWILNVFFD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],7,2,8.0 106607,4175,937,Terpenoids,Monoterpenoids,Quinoline alkaloids,0.0,MS1_match,JNNGEAWILNVFFD-CDJYTOATSA-N,"InChI=1S/C16H24O10/c1-5-8(18)2-6-7(14(22)23)4-24-15(10(5)6)26-16-13(21)12(20)11(19)9(3-17)25-16/h4-6,8-13,15-21H,2-3H2,1H3,(H,22,23)/t5-,6+,8-,9+,10+,11+,12-,13+,15-,16-/m0/s1",C[C@@H]1[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)O)[C@H]2C[C@@H]1O,C16H24O10,pos_2MHNH3,376.1369469679999,JNNGEAWILNVFFD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,2,8.0 106580,4174,1218,Carbohydrates,Saccharides,Disaccharides,0.45161813,ISDB,AQTKXCPRNZDOJU-SYHAXYEDSA-N,"InChI=1S/C9H18O8/c10-1-4(2-11)16-9-8(15)7(14)6(13)5(3-12)17-9/h4-15H,1-3H2/t5-,6-,7+,8-,9-/m1/s1",OCC(CO)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C9H18O8,,254.100167536,AQTKXCPRNZDOJU,Carbohydrates,Saccharides,Disaccharides,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],4,3,7.306472539901733 106581,4174,1218,Carbohydrates,Saccharides,Disaccharides,0.45161813,ISDB,AQTKXCPRNZDOJU-UHFFFAOYSA-N,"InChI=1S/C9H18O8/c10-1-4(2-11)16-9-8(15)7(14)6(13)5(3-12)17-9/h4-15H,1-3H2",OCC(CO)OC1OC(CO)C(O)C(O)C1O,C9H18O8,,254.100167536,AQTKXCPRNZDOJU,Carbohydrates,Saccharides,Disaccharides,Arabidopsis,309275.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Unknown'],4,3,7.306472539901733 106582,4174,1218,Carbohydrates,Saccharides,Disaccharides,0.45161813,ISDB,AQTKXCPRNZDOJU-SYHAXYEDSA-N,"InChI=1S/C9H18O8/c10-1-4(2-11)16-9-8(15)7(14)6(13)5(3-12)17-9/h4-15H,1-3H2/t5-,6-,7+,8-,9-/m1/s1",OCC(CO)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C9H18O8,,254.100167536,AQTKXCPRNZDOJU,Carbohydrates,Saccharides,Disaccharides,Brassica napus,309234.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica napus'],4,3,7.306472539901733 106571,4173,-1,,,,0.0,MS1_match,RDFLLVCQYHQOBU-GPGGJFNDSA-O,"InChI=1S/C27H30O16/c28-7-17-19(33)21(35)23(37)26(42-17)40-15-5-10(30)4-14-11(15)6-16(25(39-14)9-1-2-12(31)13(32)3-9)41-27-24(38)22(36)20(34)18(8-29)43-27/h1-6,17-24,26-29,33-38H,7-8H2,(H2-,30,31,32)/p+1/t17-,18-,19+,20+,21-,22+,23+,24+,26+,27+/m0/s1",OC[C@@H]1O[C@@H](Oc2cc(O)cc3[o+]c(-c4ccc(O)c(O)c4)c(O[C@@H]4O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]4O)cc23)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O16+,pos_1_1proton,611.16066133209,RDFLLVCQYHQOBU,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],8,0,8.0 106568,4172,518,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,CRZQGDNQQAALAY-UHFFFAOYSA-N,"InChI=1S/C9H10O2/c1-11-9(10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3",COC(=O)Cc1ccccc1,C9H10O2,pos_1_1proton1methanol,150.06807956,CRZQGDNQQAALAY,Shikimates and Phenylpropanoids,,,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],8,1,8.5 106566,4171,-1,,,,0.0,MS1_match,SWRDFZJYXUGADQ-YTTQTOCMSA-N,"InChI=1S/C27H38O14/c1-4-12-13(5-6-28)15(10-38-26(12)41-27-22(32)21(31)20(30)18(8-29)40-27)24(34)39-17-7-14-16(23(33)36-3)9-37-25(35)19(14)11(17)2/h4,6,10-14,16-22,25-27,29-32,35H,1,5,7-9H2,2-3H3/t11-,12-,13-,14+,16-,17-,18+,19+,20+,21-,22+,25+,26-,27-/m0/s1",C=C[C@@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)O[C@H]2C[C@H]3[C@@H]([C@H]2C)[C@H](O)OC[C@@H]3C(=O)OC)[C@H]1CC=O,C27H38O14,pos_2_2sodium,586.226155896,SWRDFZJYXUGADQ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Abelia chinensis,589178.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Abelia'],['Abelia chinensis'],6,0,6.0 106567,4171,-1,,,,0.0,MS1_match,MXXRZVWQIBOVFZ-CQWPOWKPSA-N,"InChI=1S/C27H38O14/c1-4-12-13(5-6-28)15(10-38-26(12)41-27-22(32)21(31)20(30)18(8-29)40-27)24(34)39-17-7-14-16(23(33)36-3)9-37-25(35)19(14)11(17)2/h4,9-14,17-22,25-32,35H,1,5-8H2,2-3H3/t11-,12+,13-,14+,17-,18+,19+,20+,21-,22+,25+,26-,27-/m0/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)O[C@H]2C[C@@H]3C(C(=O)OC)=CO[C@@H](O)[C@@H]3[C@H]2C)[C@H]1CCO,C27H38O14,pos_2_2sodium,586.2261558959999,MXXRZVWQIBOVFZ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Dipsacus laciniatus,489131.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Dipsacus'],['Dipsacus laciniatus'],6,0,6.0 106564,4169,-1,,,,0.0,MS1_match,YWOADMLJMDWHTM-SDSRGVLNSA-N,"InChI=1S/C49H62O27/c1-12-29-30(13-14-50)32(16-64-46(29)75-48-42(70-27(9)57)40(68-25(7)55)38(66-23(5)53)35(73-48)18-62-21(3)51)45(60)72-34-15-31-33(44(59)61-11)17-65-47(37(31)20(34)2)76-49-43(71-28(10)58)41(69-26(8)56)39(67-24(6)54)36(74-49)19-63-22(4)52/h12,14,16-17,20,29-31,34-43,46-49H,1,13,15,18-19H2,2-11H3/t20-,29+,30-,31+,34-,35+,36+,37+,38+,39+,40-,41-,42+,43+,46-,47-,48-,49-/m0/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)OC=C(C(=O)O[C@H]2C[C@@H]3C(C(=O)OC)=CO[C@@H](O[C@@H]4O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]4OC(C)=O)[C@@H]3[C@H]2C)[C@H]1CC=O,C49H62O27,pos_2_1proton1potassium,1082.3478467240002,YWOADMLJMDWHTM,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Diabelia spathulata,1002192.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Diabelia'],['Diabelia spathulata'],6,0,6.0 106565,4169,-1,,,,0.0,MS1_match,YWOADMLJMDWHTM-SDSRGVLNSA-N,"InChI=1S/C49H62O27/c1-12-29-30(13-14-50)32(16-64-46(29)75-48-42(70-27(9)57)40(68-25(7)55)38(66-23(5)53)35(73-48)18-62-21(3)51)45(60)72-34-15-31-33(44(59)61-11)17-65-47(37(31)20(34)2)76-49-43(71-28(10)58)41(69-26(8)56)39(67-24(6)54)36(74-49)19-63-22(4)52/h12,14,16-17,20,29-31,34-43,46-49H,1,13,15,18-19H2,2-11H3/t20-,29+,30-,31+,34-,35+,36+,37+,38+,39+,40-,41-,42+,43+,46-,47-,48-,49-/m0/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)OC=C(C(=O)O[C@H]2C[C@@H]3C(C(=O)OC)=CO[C@@H](O[C@@H]4O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]4OC(C)=O)[C@@H]3[C@H]2C)[C@H]1CC=O,C49H62O27,pos_2_1proton1potassium,1082.3478467240002,YWOADMLJMDWHTM,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Diabelia serrata,576351.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Diabelia'],['Diabelia serrata'],6,0,6.0 106562,4166,190,Alkaloids,Tryptophan alkaloids,Carboline alkaloids,0.40191886,ISDB,YUCVPZILWXKQCX-HGSXXTALSA-N,"InChI=1S/C27H30N2O10/c1-2-11-13-7-17-20-14(12-5-3-4-6-16(12)28-20)8-18(25(35)36)29(17)24(34)15(13)10-37-26(11)39-27-23(33)22(32)21(31)19(9-30)38-27/h2-6,10-11,13,17-19,21-23,26-28,30-33H,1,7-9H2,(H,35,36)/t11-,13+,17+,18+,19+,21+,22-,23+,26+,27-/m1/s1",C=C[C@H]1[C@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)OC=C2C(=O)N3[C@H](C(=O)O)Cc4c([nH]c5ccccc45)[C@@H]3C[C@H]21,C27H30N2O10,,542.19004516,YUCVPZILWXKQCX,Alkaloids,Tryptophan alkaloids,Carboline alkaloids,Nauclea diderrichii,916015.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Naucleeae'],['Nauclea'],['Nauclea diderrichii'],4,3,7.1076754331588745 106557,4157,-1,,,,0.0,MS1_match,WYROMXDQWJEWEB-ULITYQDJSA-N,"InChI=1S/C26H28O16/c27-6-14-17(32)20(35)22(37)25(40-14)38-9-4-12(31)16-13(5-9)39-23(8-1-2-10(29)11(30)3-8)24(19(16)34)42-26-21(36)18(33)15(7-28)41-26/h1-5,14-15,17-18,20-22,25-33,35-37H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,25-,26-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cc(O)c12,C26H28O16,pos_2_2sodium,596.137734816,WYROMXDQWJEWEB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cephalaria gigantea,3892199.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Cephalaria'],['Cephalaria gigantea'],6,0,6.0 106558,4157,-1,,,,0.0,MS1_match,WYROMXDQWJEWEB-ULITYQDJSA-N,"InChI=1S/C26H28O16/c27-6-14-17(32)20(35)22(37)25(40-14)38-9-4-12(31)16-13(5-9)39-23(8-1-2-10(29)11(30)3-8)24(19(16)34)42-26-21(36)18(33)15(7-28)41-26/h1-5,14-15,17-18,20-22,25-33,35-37H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,25-,26-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cc(O)c12,C26H28O16,pos_2_2sodium,596.137734816,WYROMXDQWJEWEB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cephalaria gigantea,3892199.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Cephalaria'],['Cephalaria gigantea'],6,0,6.0 106559,4157,-1,,,,0.0,MS1_match,CKTYBTRYMOEPOK-QFKZPZKGSA-N,"InChI=1S/C26H28O16/c27-10-2-1-8(3-11(10)28)24-21(35)19(33)16-12(29)4-9(5-14(16)41-24)40-26-23(37)20(34)18(32)15(42-26)7-39-25-22(36)17(31)13(30)6-38-25/h1-5,13,15,17-18,20,22-23,25-32,34-37H,6-7H2/t13-,15+,17-,18+,20-,22+,23+,25-,26+/m0/s1",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO[C@@H]4OC[C@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C26H28O16,pos_2_2sodium,596.137734816,CKTYBTRYMOEPOK,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cephalaria gigantea,3892199.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Cephalaria'],['Cephalaria gigantea'],6,0,6.0 106560,4157,-1,,,,0.0,MS1_match,CKTYBTRYMOEPOK-QFKZPZKGSA-N,"InChI=1S/C26H28O16/c27-10-2-1-8(3-11(10)28)24-21(35)19(33)16-12(29)4-9(5-14(16)41-24)40-26-23(37)20(34)18(32)15(42-26)7-39-25-22(36)17(31)13(30)6-38-25/h1-5,13,15,17-18,20,22-23,25-32,34-37H,6-7H2/t13-,15+,17-,18+,20-,22+,23+,25-,26+/m0/s1",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO[C@@H]4OC[C@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C26H28O16,pos_2_2sodium,596.137734816,CKTYBTRYMOEPOK,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Knautia tatarica,5512969.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Knautia'],['Knautia montana'],6,0,6.0 106561,4157,-1,,,,0.0,MS1_match,CKTYBTRYMOEPOK-QFKZPZKGSA-N,"InChI=1S/C26H28O16/c27-10-2-1-8(3-11(10)28)24-21(35)19(33)16-12(29)4-9(5-14(16)41-24)40-26-23(37)20(34)18(32)15(42-26)7-39-25-22(36)17(31)13(30)6-38-25/h1-5,13,15,17-18,20,22-23,25-32,34-37H,6-7H2/t13-,15+,17-,18+,20-,22+,23+,25-,26+/m0/s1",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO[C@@H]4OC[C@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C26H28O16,pos_2_2sodium,596.137734816,CKTYBTRYMOEPOK,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Knautia montana,5512969.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Knautia'],['Knautia montana'],6,0,6.0 106554,4154,-1,,,,0.0,MS1_match,TWUZWTIVCCRAAD-SNVBAGLBSA-N,"InChI=1S/C10H16O7/c1-2-3-4-17-8(13)6-10(16,9(14)15)5-7(11)12/h16H,2-6H2,1H3,(H,11,12)(H,14,15)/t10-/m1/s1",CCCCOC(=O)C[C@](O)(CC(=O)O)C(=O)O,C10H16O7,pos_1_1proton1methanol,248.089602852,TWUZWTIVCCRAAD,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],7,0,7.0 106551,4153,-1,,,,0.27699056,ISDB,JPUYZYRCOVZLPY-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3,5,8,10,12,14H,4,6H2,1-2H3",CC=CC#CC#CC=CC=CCCC,C14H16,,184.125200512,JPUYZYRCOVZLPY,Fatty acids,Fatty acyls,Hydrocarbons,Clibadium armanii,7604909.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Clibadium'],['Clibadium armanii'],4,0,5.107962250709534 106550,4152,-1,,,,0.0,MS1_match,ATFJUGCMEQBNLH-UHFFFAOYSA-N,"InChI=1S/C10H14O5/c1-10-6(12)2-4-5(3-11)9(15-10)14-8(13)7(4)10/h4-7,9,11-12H,2-3H2,1H3",CC12OC3OC(=O)C1C(CC2O)C3CO,C10H14O5,pos_1_1proton1ammonium,214.084123548,ATFJUGCMEQBNLH,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,0,6.0 106539,4150,86,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.5001447,ISDB,GKYPZOXWYQBEPK-IBKSRVHKSA-N,"InChI=1S/C25H30O13/c1-2-13-14(7-8-26)15(23(33)34)11-35-24(13)38-25-22(21(32)20(31)18(10-27)36-25)37-19(30)6-4-12-3-5-16(28)17(29)9-12/h2-6,9,11,13-14,18,20-22,24-29,31-32H,1,7-8,10H2,(H,33,34)/b6-4+/t13-,14+,18-,20-,21+,22-,24+,25+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)OC=C(C(=O)O)[C@H]1CCO,C25H30O13,,538.16864102,GKYPZOXWYQBEPK,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Chiococca alba,1069775.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Chiococceae'],['Chiococca'],['Chiococca alba'],4,3,7.500578880310059 106537,4149,928,Fatty acids,Glycerophospholipids,Glycerophosphoserines,0.45371297,ISDB,,,,,,,YGBTZLLCHJLFFA,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.8148518800735474 106523,4148,173,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.2795201,ISDB,CEQHLAVWIQXFHI-MXWKQRLJSA-N,"InChI=1S/C12H20O4/c1-7(2)11(16-14)10-9(12(10,4)5)6-15-8(3)13/h9-11,14H,1,6H2,2-5H3/t9-,10-,11+/m1/s1",C=C(C)[C@H](OO)[C@H]1[C@@H](COC(C)=O)C1(C)C,C12H20O4,,228.13615912,CEQHLAVWIQXFHI,Terpenoids,Monoterpenoids,Irregular monoterpenoids,Achillea nobilis,395150.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Achillea'],['Achillea nobilis'],4,2,6.118080377578735 106487,4144,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.69527566,ISDB,SDMADMBVKYOYQN-UHFFFAOYSA-N,"InChI=1S/C26H26O12/c1-36-20-11-15(3-7-17(20)28)5-8-22(31)37-21-13-26(35,25(33)34)12-19(30)24(21)38-23(32)9-4-14-2-6-16(27)18(29)10-14/h2-11,19,21,24,27-30,35H,12-13H2,1H3,(H,33,34)",COc1cc(C=CC(=O)OC2CC(O)(C(=O)O)CC(O)C2OC(=O)C=Cc2ccc(O)c(O)c2)ccc1O,C26H26O12,,530.1424262719999,SDMADMBVKYOYQN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Artemisia annua,637444.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia annua'],4,3,8.281102657318115 106488,4144,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.69527566,ISDB,SDMADMBVKYOYQN-KBIVDKRSSA-N,"InChI=1S/C26H26O12/c1-36-20-11-15(3-7-17(20)28)5-8-22(31)37-21-13-26(35,25(33)34)12-19(30)24(21)38-23(32)9-4-14-2-6-16(27)18(29)10-14/h2-11,19,21,24,27-30,35H,12-13H2,1H3,(H,33,34)/b8-5+,9-4+/t19-,21-,24+,26-/m0/s1",COc1cc(/C=C/C(=O)O[C@H]2C[C@](O)(C(=O)O)C[C@H](O)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)ccc1O,C26H26O12,,530.142426272,SDMADMBVKYOYQN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Coffea canephora,104739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Coffeeae'],['Coffea'],['Coffea canephora'],4,3,8.281102657318115 106486,4140,73,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.20825782,ISDB,OMGGPLTZARDXEH-SFFZUTDPSA-N,"InChI=1S/C45H68O12/c1-26(14-13-19-40(6,7)50-12)31-17-20-43(11)33-18-21-45-34(44(33,25-52-45)23-22-42(31,43)10)15-16-35(41(45,8)9)57-39-38(55-30(5)49)37(54-29(4)48)36(53-28(3)47)32(56-39)24-51-27(2)46/h13,18-19,21,26,31-39H,14-17,20,22-25H2,1-12H3/b19-13+/t26-,31-,32-,33+,34+,35+,36-,37-,38-,39+,42-,43+,44+,45-/m1/s1",COC(C)(C)/C=C/C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3C=C[C@@]45OC[C@]3(CC[C@]12C)[C@@H]4CC[C@H](O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O)C5(C)C,C45H68O12,,800.471077616,OMGGPLTZARDXEH,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Momordica charantia,955521.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cucurbitales'],['Cucurbitaceae'],['Momordiceae'],['Momordica'],['Momordica charantia'],4,2,5.8330312967300415 106485,4139,-1,,,,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_2MH,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Scabiosa comosa,984352.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Scabiosa'],['Scabiosa comosa'],6,0,6.0 106484,4134,11,Alkaloids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,VMTADHGOTORRMR-STCFVSJZSA-N,"InChI=1S/C24H30O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h7-8,11,18,21-22H,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)C=C(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1,C24H30O10,pos_1_1proton1ammonium,478.18389716,VMTADHGOTORRMR,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana pulvinata,7625148.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana pulvinata'],6,3,7.5 106483,4133,-1,,,,0.0,MS1_match,BVEVSYQMQABMQM-UHFFFAOYSA-N,"InChI=1S/C21H36O11/c1-19(2)9-4-12(20(19,3)5-10(9)23)32-17-15(26)14(25)13(24)11(31-17)6-29-18-16(27)21(28,7-22)8-30-18/h9-18,22-28H,4-8H2,1-3H3",CC1(C)C2CC(OC3OC(COC4OCC(O)(CO)C4O)C(O)C(O)C3O)C1(C)CC2O,C21H36O11,pos_1_sodium,464.225761972,BVEVSYQMQABMQM,Terpenoids,Monoterpenoids,Camphane monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 106482,4129,-1,,,,0.0,MS1_match,YPZQHCLBLRWNMJ-OPRDCNLKSA-N,"InChI=1S/C10H16O2/c1-4-10(3)6-5-9(12-10)8(2)7-11/h4,7-9H,1,5-6H2,2-3H3/t8-,9-,10-/m1/s1",C=C[C@]1(C)CC[C@H]([C@H](C)C=O)O1,C10H16O2,pos_2MNa,168.115029752,YPZQHCLBLRWNMJ,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 106481,4128,167,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.857499,ISDB,,,,,,,MJLWUDWEHYOWJO,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,3.4299960136413574 106471,4123,86,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.44001406,ISDB,JNPXCTROEJQHKD-KAZAEUKGSA-N,"InChI=1S/C21H30O13/c1-2-9-10-3-4-29-17(27)11(10)5-30-18(9)34-19-15(25)14(24)13(23)12(33-19)6-31-20-16(26)21(28,7-22)8-32-20/h2,5,9-10,12-16,18-20,22-26,28H,1,3-4,6-8H2/t9-,10-,12+,13+,14-,15+,16-,18-,19-,20+,21+/m0/s1",C=C[C@@H]1[C@H](O[C@@H]2O[C@H](CO[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCC[C@H]21,C21H30O13,,490.16864102,JNPXCTROEJQHKD,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera quinquelocularis,118025.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera quinquelocularis'],7,3,10.260056257247925 106465,4121,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.64720345,ISDB,,,,,,,FBLNHSDBHNXKFB,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.5888137817382812 106403,4120,167,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.70603603,ISDB,HEURLRKWAYKLCX-DEOSSOPVSA-N,"InChI=1S/C30H20O10/c31-15-4-1-13(2-5-15)24-12-23(38)29-21(36)10-20(35)27(30(29)40-24)17-7-14(3-6-18(17)33)25-11-22(37)28-19(34)8-16(32)9-26(28)39-25/h1-11,24,31-36H,12H2/t24-/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2c1c(O)cc(O)c2-c1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)ccc1O,C30H20O10,,540.10564684,HEURLRKWAYKLCX,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Viburnum jucundum,572534.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Adoxaceae'],['Unknown'],['Viburnum'],['Viburnum jucundum'],5,3,9.324144124984741 106380,4119,-1,,,,0.0,MS1_match,UFCLZKMFXSILNL-UHFFFAOYSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(35,24(33)34)11-19(30)23(20)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,35H,11-12H2,(H,33,34)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1OC(=O)C=Cc1ccc(O)c(O)c1,C25H24O12,pos_1_sodium,516.1267762079999,UFCLZKMFXSILNL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 106381,4119,-1,,,,0.0,MS1_match,UFCLZKMFXSILNL-UHFFFAOYSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(35,24(33)34)11-19(30)23(20)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,35H,11-12H2,(H,33,34)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1OC(=O)C=Cc1ccc(O)c(O)c1,C25H24O12,pos_1_sodium,516.1267762079999,UFCLZKMFXSILNL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 106382,4119,-1,,,,0.0,MS1_match,UFCLZKMFXSILNL-UHFFFAOYSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(35,24(33)34)11-19(30)23(20)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,35H,11-12H2,(H,33,34)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1OC(=O)C=Cc1ccc(O)c(O)c1,C25H24O12,pos_1_sodium,516.1267762079999,UFCLZKMFXSILNL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 106378,4115,62,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.25830838,ISDB,KOJDHHJUQBZUHA-HMNPXLOQSA-N,"InChI=1S/C22H34ClNO5/c1-3-4-5-6-7-8-9-10-11-12-19(26)24-16-15-22(28)18(25)14-13-17(23)21(22,2)29-20(16)27/h11-14,16-17,20,27-28H,3-10,15H2,1-2H3,(H,24,26)/t16-,17+,20+,21-,22+/m0/s1",CCCCCCCCCC=CC(=O)N[C@H]1C[C@@]2(O)C(=O)C=C[C@@H](Cl)[C@]2(C)O[C@H]1O,C22H34ClNO5,,427.212550868,KOJDHHJUQBZUHA,Alkaloids,Pseudoalkaloids,Isariotin alkaloids,Cordyceps tenuipes,590328.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Hypocreales'],['Cordycipitaceae'],['Unknown'],['Cordyceps'],['Cordyceps polyarthra'],1,0,2.0332335233688354 106379,4115,62,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.25830838,ISDB,KOJDHHJUQBZUHA-HMNPXLOQSA-N,"InChI=1S/C22H34ClNO5/c1-3-4-5-6-7-8-9-10-11-12-19(26)24-16-15-22(28)18(25)14-13-17(23)21(22,2)29-20(16)27/h11-14,16-17,20,27-28H,3-10,15H2,1-2H3,(H,24,26)/t16-,17+,20+,21-,22+/m0/s1",CCCCCCCCCC=CC(=O)N[C@H]1C[C@@]2(O)C(=O)C=C[C@@H](Cl)[C@]2(C)O[C@H]1O,C22H34ClNO5,,427.212550868,KOJDHHJUQBZUHA,Alkaloids,Pseudoalkaloids,Isariotin alkaloids,Isaria tenuipes,590328.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Hypocreales'],['Cordycipitaceae'],['Unknown'],['Cordyceps'],['Cordyceps polyarthra'],1,0,2.0332335233688354 106377,4112,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.63717526,ISDB,NCCLLRBZVMPSLE-HEWQUDLHSA-N,"InChI=1S/C26H30O10/c1-14(2)3-6-16-12-17(28)7-9-20(16)34-26-24(33)23(32)25(21(13-27)35-26)36-22(31)10-5-15-4-8-18(29)19(30)11-15/h3-5,7-12,21,23-30,32-33H,6,13H2,1-2H3/b10-5+/t21-,23-,24-,25-,26-/m1/s1",CC(C)=CCc1cc(O)ccc1O[C@@H]1O[C@H](CO)[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)[C@H]1O,C26H30O10,,502.18389716,NCCLLRBZVMPSLE,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Phagnalon rupestre,96923.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Phagnalon'],['Phagnalon rupestre'],4,3,8.048701047897339 106343,4111,1335,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.40643767,ISDB,ODLMAHJVESYWTB-UHFFFAOYSA-N,"InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3",CCCc1ccccc1,C9H12,,120.093900384,ODLMAHJVESYWTB,,,,Brassica juncea,309279.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica juncea'],4,0,5.625750660896301 106344,4111,1335,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.40643767,ISDB,ODLMAHJVESYWTB-UHFFFAOYSA-N,"InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3",CCCc1ccccc1,C9H12,,120.093900384,ODLMAHJVESYWTB,,,,Brassica rapa,833632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica rapa'],4,0,5.625750660896301 106345,4111,1335,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.40643767,ISDB,ODLMAHJVESYWTB-UHFFFAOYSA-N,"InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3",CCCc1ccccc1,C9H12,,120.093900384,ODLMAHJVESYWTB,,,,Helianthus tuberosus,515709.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Helianthus'],['Helianthus tuberosus'],4,0,5.625750660896301 106346,4111,1335,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.40643767,ISDB,ODLMAHJVESYWTB-UHFFFAOYSA-N,"InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3",CCCc1ccccc1,C9H12,,120.093900384,ODLMAHJVESYWTB,,,,Vitis rotundifolia,650748.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Vitales'],['Vitaceae'],['Viteae'],['Vitis'],['Vitis rotundifolia'],4,0,5.625750660896301 106347,4111,1335,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.40643767,ISDB,ODLMAHJVESYWTB-UHFFFAOYSA-N,"InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3",CCCc1ccccc1,C9H12,,120.093900384,ODLMAHJVESYWTB,,,,Gossypium hirsutum,854480.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Gossypium'],['Gossypium hirsutum'],4,0,5.625750660896301 106348,4111,1335,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.40643767,ISDB,ODLMAHJVESYWTB-UHFFFAOYSA-N,"InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3",CCCc1ccccc1,C9H12,,120.093900384,ODLMAHJVESYWTB,,,,Carica papaya,429474.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Caricaceae'],['Unknown'],['Carica'],['Carica papaya'],4,0,5.625750660896301 106349,4111,1335,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.40643767,ISDB,ODLMAHJVESYWTB-UHFFFAOYSA-N,"InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3",CCCc1ccccc1,C9H12,,120.093900384,ODLMAHJVESYWTB,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],4,0,5.625750660896301 106350,4111,1335,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.40643767,ISDB,ODLMAHJVESYWTB-UHFFFAOYSA-N,"InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3",CCCc1ccccc1,C9H12,,120.093900384,ODLMAHJVESYWTB,,,,Brassica campestris,833632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica rapa'],4,0,5.625750660896301 106252,4110,1,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.5574341,ISDB,VZZQQZMZDJETCS-GUKRZAEASA-N,"InChI=1S/C20H20O5/c1-25-20-12-15(6-11-19(20)24)5-10-18(23)13-17(22)9-4-14-2-7-16(21)8-3-14/h2-4,6-9,11-13,21-22,24H,5,10H2,1H3/b9-4+,17-13-",COc1cc(CCC(=O)/C=C(O)/C=C/c2ccc(O)cc2)ccc1O,C20H20O5,,340.13107374,VZZQQZMZDJETCS,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Aframomum letestuanum,791472.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Aframomum'],['Aframomum letestuanum'],4,0,6.229736328125 106244,4109,-1,,,,0.0,MS1_match,RODXRVNMMDRFIK-UHFFFAOYSA-N,"InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3",COc1cc2ccc(=O)oc2cc1O,C10H8O4,pos_2MNa,192.042258736,RODXRVNMMDRFIK,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Lonicera hypoleuca,5746397.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera hypoleuca'],7,0,7.0 106245,4109,-1,,,,0.0,MS1_match,SMFKCIHIAHWGGL-LQMUPLJOSA-N,"InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(13(21)8-17)26-14(22)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-21,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m0/s1",COC(=O)[C@]1(O)C[C@H](O)[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](O)C1,C17H20O9,pos_1_1potassium,368.11073222,SMFKCIHIAHWGGL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera bournei,5746380.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera bournei'],7,0,7.0 106246,4109,-1,,,,0.0,MS1_match,SMFKCIHIAHWGGL-LQMUPLJOSA-N,"InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(13(21)8-17)26-14(22)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-21,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m0/s1",COC(=O)[C@]1(O)C[C@H](O)[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](O)C1,C17H20O9,pos_1_1potassium,368.11073222,SMFKCIHIAHWGGL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera bournei,5746380.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera bournei'],7,0,7.0 106247,4109,-1,,,,0.0,MS1_match,MZNIJRAPCCELQX-LQMUPLJOSA-N,"InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m0/s1",COC(=O)[C@]1(O)C[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](O)[C@@H](O)C1,C17H20O9,pos_1_1potassium,368.1107322199999,MZNIJRAPCCELQX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera bournei,5746380.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera bournei'],7,0,7.0 106248,4109,-1,,,,0.0,MS1_match,MZNIJRAPCCELQX-AWOKGZDASA-N,"InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m1/s1",COC(=O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1,C17H20O9,pos_1_1potassium,368.1107322199999,MZNIJRAPCCELQX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 106249,4109,-1,,,,0.0,MS1_match,MZNIJRAPCCELQX-LQMUPLJOSA-N,"InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m0/s1",COC(=O)[C@]1(O)C[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](O)[C@@H](O)C1,C17H20O9,pos_1_1potassium,368.1107322199999,MZNIJRAPCCELQX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera bournei,5746380.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera bournei'],7,0,7.0 106250,4109,-1,,,,0.0,MS1_match,MZNIJRAPCCELQX-AWOKGZDASA-N,"InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m1/s1",COC(=O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1,C17H20O9,pos_1_1potassium,368.1107322199999,MZNIJRAPCCELQX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 106229,4104,-1,,,,0.0,MS1_match,TYWXNGXVSZRXNA-NVZSGMJQSA-N,"InChI=1S/C11H16O8/c12-3-6-8(14)9(15)10(16)11(19-6)17-4-5-1-2-7(13)18-5/h1-2,5-6,8-12,14-16H,3-4H2/t5-,6+,8+,9-,10+,11+/m0/s1",O=C1C=C[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O1,C11H16O8,pos_1_sodium,276.084517472,TYWXNGXVSZRXNA,,,,Clematis ligusticifolia,964063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis ligusticifolia'],8,0,8.0 106219,4103,-1,,,,0.30295056,ISDB,XRIDGQVLGQMCMX-OLEFQQMKSA-N,"InChI=1S/C15H16O7/c1-20-12-6-9(2-4-10(12)16)3-5-14(18)21-8-13-11(17)7-15(19)22-13/h2-6,11,13,16-17H,7-8H2,1H3/b5-3+/t11-,13+/m0/s1",COc1cc(/C=C/C(=O)OC[C@H]2OC(=O)C[C@@H]2O)ccc1O,C15H16O7,,308.089602852,XRIDGQVLGQMCMX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis terniflora var. mandshurica,446556.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis terniflora'],4,0,5.211802244186401 106204,4092,577,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.30522585,ISDB,ZGFASEKBKWVCGP-UHFFFAOYSA-N,"InChI=1S/C20H18O4/c1-20(22-2)12-15(13-8-4-3-5-9-13)17-18(24-20)14-10-6-7-11-16(14)23-19(17)21/h3-11,15H,12H2,1-2H3",COC1(C)CC(c2ccccc2)c2c(c3ccccc3oc2=O)O1,C20H18O4,,322.12050905599995,ZGFASEKBKWVCGP,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Glycyrrhiza uralensis,284051.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Glycyrrhiza'],['Glycyrrhiza uralensis'],4,3,6.720903396606445 106205,4092,577,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.30522585,ISDB,ZGFASEKBKWVCGP-UHFFFAOYSA-N,"InChI=1S/C20H18O4/c1-20(22-2)12-15(13-8-4-3-5-9-13)17-18(24-20)14-10-6-7-11-16(14)23-19(17)21/h3-11,15H,12H2,1-2H3",COC1(C)CC(c2ccccc2)c2c(c3ccccc3oc2=O)O1,C20H18O4,,322.12050905599995,ZGFASEKBKWVCGP,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Cullen corylifolium,541330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Psoraleeae'],['Cullen'],['Cullen corylifolium'],4,3,6.720903396606445 106206,4092,577,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.30522585,ISDB,ZGFASEKBKWVCGP-UHFFFAOYSA-N,"InChI=1S/C20H18O4/c1-20(22-2)12-15(13-8-4-3-5-9-13)17-18(24-20)14-10-6-7-11-16(14)23-19(17)21/h3-11,15H,12H2,1-2H3",COC1(C)CC(c2ccccc2)c2c(c3ccccc3oc2=O)O1,C20H18O4,,322.12050905599995,ZGFASEKBKWVCGP,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Cullen corylifolia,541330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Psoraleeae'],['Cullen'],['Cullen corylifolium'],4,3,6.720903396606445 105901,4091,228,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.22035235,ISDB,ILUJQPXNXACGAN-UHFFFAOYSA-N,"InChI=1S/C8H8O3/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3,(H,9,10)",COc1ccccc1C(=O)O,C8H8O3,,152.047344116,ILUJQPXNXACGAN,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.881409406661987 105898,4090,632,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,JNPXCTROEJQHKD-KAZAEUKGSA-N,"InChI=1S/C21H30O13/c1-2-9-10-3-4-29-17(27)11(10)5-30-18(9)34-19-15(25)14(24)13(23)12(33-19)6-31-20-16(26)21(28,7-22)8-32-20/h2,5,9-10,12-16,18-20,22-26,28H,1,3-4,6-8H2/t9-,10-,12+,13+,14-,15+,16-,18-,19-,20+,21+/m0/s1",C=C[C@@H]1[C@H](O[C@@H]2O[C@H](CO[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCC[C@H]21,C21H30O13,pos_1_1proton1ammonium,490.16864102,JNPXCTROEJQHKD,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera quinquelocularis,118025.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera quinquelocularis'],7,3,8.5 105873,4086,1052,Terpenoids,Monoterpenoids,Wax monoesters,0.5271354,ISDB,IVKXDHGCABLGAM-UHFFFAOYSA-N,"InChI=1S/C11H18O3/c1-9(7-8-12)5-4-6-10(2)11(13)14-3/h6-7,12H,4-5,8H2,1-3H3",COC(=O)C(C)=CCCC(C)=CCO,C11H18O3,,198.125594436,IVKXDHGCABLGAM,Fatty acids,Fatty esters,Wax monoesters,Hoffmannia strigillosa,3881053.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Hamelieae'],['Hoffmannia'],['Hoffmannia strigillosa'],4,3,7.608541488647461 105872,4085,1025,Fatty acids,Fatty esters,Wax monoesters,0.0,MS1_match,PDSCSYLDRHAHOX-UHFFFAOYSA-N,"InChI=1S/C12H22O5/c1-3-5-7-16-11(14)9-10(13)12(15)17-8-6-4-2/h10,13H,3-9H2,1-2H3",CCCCOC(=O)CC(O)C(=O)OCCCC,C12H22O5,pos_2MNa,246.146723804,PDSCSYLDRHAHOX,Fatty acids,Fatty esters,Wax monoesters,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],7,3,8.5 105707,4080,-1,,,,0.7362921,ISDB,KQBASRSRJMDOBH-GOSISDBHSA-N,"InChI=1S/C21H34O3/c1-3-4-5-6-7-8-9-10-11-12-18-13-17-14-19(23-2)15-21(22)20(17)16-24-18/h14-15,18,22H,3-13,16H2,1-2H3/t18-/m1/s1",CCCCCCCCCCC[C@@H]1Cc2cc(OC)cc(O)c2CO1,C21H34O3,,334.250794948,KQBASRSRJMDOBH,Polyketides,Chromanes,Azaphilones,Ononis natrix,1072855.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Ononis'],['Ononis natrix'],4,0,6.945168495178223 105646,4079,-1,,,,0.6253756,ISDB,QBFNGLBSVFKILI-UHFFFAOYSA-N,"InChI=1S/C9H8O/c1-2-8-3-5-9(7-10)6-4-8/h2-7H,1H2",C=Cc1ccc(C=O)cc1,C9H8O,,132.057514876,QBFNGLBSVFKILI,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,Cinnamomum sieboldii,130590.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum sieboldii'],4,0,6.501502513885498 105645,4077,62,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,QTZXVESWHBGRDB-MGHIWKHDSA-N,"InChI=1S/C32H42O18/c1-12-17(8-14-15(29(42)43)11-45-30(22(12)14)50-32-28(41)26(39)24(37)20(10-34)49-32)46-21(35)6-4-13-3-5-16(18(7-13)44-2)47-31-27(40)25(38)23(36)19(9-33)48-31/h3-7,11-12,14,17,19-20,22-28,30-34,36-41H,8-10H2,1-2H3,(H,42,43)/b6-4+/t12-,14-,17+,19+,20+,22+,23+,24+,25-,26-,27+,28+,30-,31-,32-/m0/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@H]3C(C(=O)O)=CO[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3[C@H]2C)ccc1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C32H42O18,pos_1_1proton1ammonium,714.237114504,QTZXVESWHBGRDB,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],7,3,8.5 105643,4073,-1,,,,0.2124831,ISDB,,,,,,,SNMFNOQKGANWHD,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.8499323725700378 105469,4070,-1,,,,0.31479165,ISDB,REZVXIYYURPOSL-SBNAJNSHSA-N,"InChI=1S/C20H22O7/c1-24-15-7-10(3-5-13(15)21)18-12-9-26-19(17(12)20(23)27-18)11-4-6-14(22)16(8-11)25-2/h3-8,12,17-23H,9H2,1-2H3/t12-,17-,18+,19+,20-/m0/s1",COc1cc([C@H]2O[C@H](O)[C@H]3[C@@H]2CO[C@@H]3c2ccc(O)c(OC)c2)ccc1O,C20H22O7,,374.1365530439999,REZVXIYYURPOSL,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Lonicera hypoleuca,5746397.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera hypoleuca'],7,0,8.259166598320007 105450,4069,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.0,MS1_match,PIJWCPNNZULZBH-GRYWMYPUSA-N,"InChI=1S/C18H28O12/c1-7(20)12-8(4-11(21)26-2)9(16(25)27-3)6-28-17(12)30-18-15(24)14(23)13(22)10(5-19)29-18/h6-8,10,12-15,17-20,22-24H,4-5H2,1-3H3/t7-,8+,10+,12+,13+,14-,15+,17-,18-/m0/s1",COC(=O)C[C@@H]1C(C(=O)OC)=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1[C@H](C)O,C18H28O12,pos_1_1proton,436.158076336,PIJWCPNNZULZBH,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera alpigena,920868.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera alpigena'],8,3,9.5 105443,4068,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,SFLMUHDGSQZDOW-FAOXUISGSA-N,"InChI=1S/C16H22O8/c1-22-11-7-9(3-2-6-17)4-5-10(11)23-16-15(21)14(20)13(19)12(8-18)24-16/h2-5,7,12-21H,6,8H2,1H3/b3-2+/t12-,13-,14+,15-,16-/m1/s1",COc1cc(/C=C/CO)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H22O8,pos_2MHNH3,342.131467664,SFLMUHDGSQZDOW,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,3,7.5 105444,4068,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,SFLMUHDGSQZDOW-FAOXUISGSA-N,"InChI=1S/C16H22O8/c1-22-11-7-9(3-2-6-17)4-5-10(11)23-16-15(21)14(20)13(19)12(8-18)24-16/h2-5,7,12-21H,6,8H2,1H3/b3-2+/t12-,13-,14+,15-,16-/m1/s1",COc1cc(/C=C/CO)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H22O8,pos_2MHNH3,342.131467664,SFLMUHDGSQZDOW,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Nardostachys jatamansi,24101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Nardostachys'],['Nardostachys jatamansi'],6,3,7.5 105445,4068,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,SFLMUHDGSQZDOW-FAOXUISGSA-N,"InChI=1S/C16H22O8/c1-22-11-7-9(3-2-6-17)4-5-10(11)23-16-15(21)14(20)13(19)12(8-18)24-16/h2-5,7,12-21H,6,8H2,1H3/b3-2+/t12-,13-,14+,15-,16-/m1/s1",COc1cc(/C=C/CO)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H22O8,pos_2MHNH3,342.131467664,SFLMUHDGSQZDOW,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,3,7.5 105446,4068,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,SFLMUHDGSQZDOW-FAOXUISGSA-N,"InChI=1S/C16H22O8/c1-22-11-7-9(3-2-6-17)4-5-10(11)23-16-15(21)14(20)13(19)12(8-18)24-16/h2-5,7,12-21H,6,8H2,1H3/b3-2+/t12-,13-,14+,15-,16-/m1/s1",COc1cc(/C=C/CO)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H22O8,pos_2MHNH3,342.131467664,SFLMUHDGSQZDOW,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,3,7.5 105447,4068,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,SFLMUHDGSQZDOW-FAOXUISGSA-N,"InChI=1S/C16H22O8/c1-22-11-7-9(3-2-6-17)4-5-10(11)23-16-15(21)14(20)13(19)12(8-18)24-16/h2-5,7,12-21H,6,8H2,1H3/b3-2+/t12-,13-,14+,15-,16-/m1/s1",COc1cc(/C=C/CO)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H22O8,pos_2MHNH3,342.131467664,SFLMUHDGSQZDOW,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Nardostachys jatamansi,24101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Nardostachys'],['Nardostachys jatamansi'],6,3,7.5 105448,4068,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,SFLMUHDGSQZDOW-FAOXUISGSA-N,"InChI=1S/C16H22O8/c1-22-11-7-9(3-2-6-17)4-5-10(11)23-16-15(21)14(20)13(19)12(8-18)24-16/h2-5,7,12-21H,6,8H2,1H3/b3-2+/t12-,13-,14+,15-,16-/m1/s1",COc1cc(/C=C/CO)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H22O8,pos_2MHNH3,342.131467664,SFLMUHDGSQZDOW,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,3,7.5 105433,4067,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.3824755,ISDB,DHOXZZVHZKDVKN-FGGGPQFZSA-N,"InChI=1S/C28H54O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27(2)25-31-26-28(30)24-29/h19-20,25,28-30H,3-18,21-24,26H2,1-2H3/b20-19-,27-25+/t28-/m0/s1",CCCCCCCCCCCCCCCCC/C=C\CCC/C(C)=C/OC[C@@H](O)CO,C28H54O3,,438.407295588,DHOXZZVHZKDVKN,Fatty acids,Glycerolipids,Monoacylglycerols,Stylissa carteri,561241.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Axinellida'],['Axinellidae'],['Unknown'],['Stylissa'],['Stylissa carteri'],1,3,4.02990198135376 105432,4065,602,Shikimates and Phenylpropanoids,Monoterpenoids,Secoiridoid monoterpenoids,0.22484882,ISDB,QJYQMNNRRRKXNK-UHFFFAOYSA-N,"InChI=1S/C18H18O8/c1-9-5-12(19)15(18(22)25-4)13(6-9)26-14-8-10(23-2)7-11(16(14)20)17(21)24-3/h5-8,19-20H,1-4H3",COC(=O)c1cc(OC)cc(Oc2cc(C)cc(O)c2C(=O)OC)c1O,C18H18O8,,362.100167536,QJYQMNNRRRKXNK,Polyketides,Diphenyl ethers (DPEs),Fungal DPEs,Pestalotiopsis,443192.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Xylariales'],['Amphisphaeriaceae'],['Unknown'],['Pestalotiopsis'],['Unknown'],1,0,1.8993952870368958 105310,4064,173,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.73681843,ISDB,DSXFHNSGLYXPNG-YDYVGBNJSA-N,"InChI=1S/C16H24O9/c1-6-2-3-7-8(14(21)22)5-23-15(10(6)7)25-16-13(20)12(19)11(18)9(4-17)24-16/h5-7,9-13,15-20H,2-4H2,1H3,(H,21,22)/t6-,7+,9+,10+,11+,12-,13+,15-,16-/m0/s1",C[C@H]1CC[C@@H]2C(C(=O)O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]21,C16H24O9,,360.142032348,DSXFHNSGLYXPNG,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Crotalaria emarginella,253602.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Crotalarieae'],['Crotalaria'],['Crotalaria emarginella'],4,3,8.44727373123169 105311,4064,173,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.73681843,ISDB,DSXFHNSGLYXPNG-YDYVGBNJSA-N,"InChI=1S/C16H24O9/c1-6-2-3-7-8(14(21)22)5-23-15(10(6)7)25-16-13(20)12(19)11(18)9(4-17)24-16/h5-7,9-13,15-20H,2-4H2,1H3,(H,21,22)/t6-,7+,9+,10+,11+,12-,13+,15-,16-/m0/s1",C[C@H]1CC[C@@H]2C(C(=O)O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]21,C16H24O9,,360.142032348,DSXFHNSGLYXPNG,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Centaurium erythraea,732976.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Gentianaceae'],['Chironieae'],['Centaurium'],['Centaurium erythraea'],4,3,8.44727373123169 105312,4064,173,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.73681843,ISDB,DSXFHNSGLYXPNG-NCZCWLEHSA-N,"InChI=1S/C16H24O9/c1-6-2-3-7-8(14(21)22)5-23-15(10(6)7)25-16-13(20)12(19)11(18)9(4-17)24-16/h5-7,9-13,15-20H,2-4H2,1H3,(H,21,22)/t6-,7-,9+,10-,11+,12-,13-,15+,16+/m0/s1",C[C@H]1CC[C@H]2C(C(=O)O)=CO[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]12,C16H24O9,,360.142032348,DSXFHNSGLYXPNG,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Nepeta cataria,830200.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Nepeta'],['Nepeta cataria'],4,3,8.44727373123169 105313,4064,173,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.73681843,ISDB,DSXFHNSGLYXPNG-PKUPRILXSA-N,"InChI=1S/C16H24O9/c1-6-2-3-7-8(14(21)22)5-23-15(10(6)7)25-16-13(20)12(19)11(18)9(4-17)24-16/h5-7,9-13,15-20H,2-4H2,1H3,(H,21,22)/t6-,7-,9-,10-,11-,12+,13-,15+,16+/m1/s1",C[C@@H]1CC[C@@H]2C(C(=O)O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C16H24O9,,360.1420323479999,DSXFHNSGLYXPNG,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Pedicularis artselaeri,5536458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Orobanchaceae'],['Pedicularideae'],['Pedicularis'],['Pedicularis artselaeri'],4,3,8.44727373123169 105314,4064,173,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.73681843,ISDB,DSXFHNSGLYXPNG-YDYVGBNJSA-N,"InChI=1S/C16H24O9/c1-6-2-3-7-8(14(21)22)5-23-15(10(6)7)25-16-13(20)12(19)11(18)9(4-17)24-16/h5-7,9-13,15-20H,2-4H2,1H3,(H,21,22)/t6-,7+,9+,10+,11+,12-,13+,15-,16-/m0/s1",C[C@H]1CC[C@@H]2C(C(=O)O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]21,C16H24O9,,360.142032348,DSXFHNSGLYXPNG,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Uncaria tomentosa,204985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Naucleeae'],['Uncaria'],['Uncaria tomentosa'],4,3,8.44727373123169 105315,4064,173,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.73681843,ISDB,DSXFHNSGLYXPNG-YDYVGBNJSA-N,"InChI=1S/C16H24O9/c1-6-2-3-7-8(14(21)22)5-23-15(10(6)7)25-16-13(20)12(19)11(18)9(4-17)24-16/h5-7,9-13,15-20H,2-4H2,1H3,(H,21,22)/t6-,7+,9+,10+,11+,12-,13+,15-,16-/m0/s1",C[C@H]1CC[C@@H]2C(C(=O)O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]21,C16H24O9,,360.142032348,DSXFHNSGLYXPNG,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Verbena officinalis,472462.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Verbenaceae'],['Verbeneae'],['Verbena'],['Verbena officinalis'],4,3,8.44727373123169 105316,4064,173,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.73681843,ISDB,DSXFHNSGLYXPNG-PKUPRILXSA-N,"InChI=1S/C16H24O9/c1-6-2-3-7-8(14(21)22)5-23-15(10(6)7)25-16-13(20)12(19)11(18)9(4-17)24-16/h5-7,9-13,15-20H,2-4H2,1H3,(H,21,22)/t6-,7-,9-,10-,11-,12+,13-,15+,16+/m1/s1",C[C@@H]1CC[C@@H]2C(C(=O)O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C16H24O9,,360.1420323479999,DSXFHNSGLYXPNG,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plantago webbii,959597.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago webbii'],4,3,8.44727373123169 105317,4064,173,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.73681843,ISDB,DSXFHNSGLYXPNG-PKUPRILXSA-N,"InChI=1S/C16H24O9/c1-6-2-3-7-8(14(21)22)5-23-15(10(6)7)25-16-13(20)12(19)11(18)9(4-17)24-16/h5-7,9-13,15-20H,2-4H2,1H3,(H,21,22)/t6-,7-,9-,10-,11-,12+,13-,15+,16+/m1/s1",C[C@@H]1CC[C@@H]2C(C(=O)O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C16H24O9,,360.1420323479999,DSXFHNSGLYXPNG,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Argylia radiata,6079969.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Bignoniaceae'],['Unknown'],['Argylia'],['Argylia radiata'],4,3,8.44727373123169 105318,4064,173,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.73681843,ISDB,DSXFHNSGLYXPNG-PKUPRILXSA-N,"InChI=1S/C16H24O9/c1-6-2-3-7-8(14(21)22)5-23-15(10(6)7)25-16-13(20)12(19)11(18)9(4-17)24-16/h5-7,9-13,15-20H,2-4H2,1H3,(H,21,22)/t6-,7-,9-,10-,11-,12+,13-,15+,16+/m1/s1",C[C@@H]1CC[C@@H]2C(C(=O)O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C16H24O9,,360.1420323479999,DSXFHNSGLYXPNG,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Pedicularis verticillata,980478.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Orobanchaceae'],['Pedicularideae'],['Pedicularis'],['Pedicularis verticillata'],4,3,8.44727373123169 105319,4064,173,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.73681843,ISDB,DSXFHNSGLYXPNG-MDIWZKTHSA-N,"InChI=1S/C16H24O9/c1-6-2-3-7-8(14(21)22)5-23-15(10(6)7)25-16-13(20)12(19)11(18)9(4-17)24-16/h5-7,9-13,15-20H,2-4H2,1H3,(H,21,22)/t6-,7-,9+,10-,11+,12-,13+,15+,16-/m0/s1",C[C@H]1CC[C@H]2C(C(=O)O)=CO[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]12,C16H24O9,,360.142032348,DSXFHNSGLYXPNG,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Nepeta italica,815544.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Nepeta'],['Nepeta italica'],4,3,8.44727373123169 105320,4064,173,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.73681843,ISDB,DSXFHNSGLYXPNG-PKUPRILXSA-N,"InChI=1S/C16H24O9/c1-6-2-3-7-8(14(21)22)5-23-15(10(6)7)25-16-13(20)12(19)11(18)9(4-17)24-16/h5-7,9-13,15-20H,2-4H2,1H3,(H,21,22)/t6-,7-,9-,10-,11-,12+,13-,15+,16+/m1/s1",C[C@@H]1CC[C@@H]2C(C(=O)O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C16H24O9,,360.1420323479999,DSXFHNSGLYXPNG,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Leonurus persicus,6081039.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Leonureae'],['Leonurus'],['Leonurus persicus'],4,3,8.44727373123169 105321,4064,173,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.73681843,ISDB,DSXFHNSGLYXPNG-PKUPRILXSA-N,"InChI=1S/C16H24O9/c1-6-2-3-7-8(14(21)22)5-23-15(10(6)7)25-16-13(20)12(19)11(18)9(4-17)24-16/h5-7,9-13,15-20H,2-4H2,1H3,(H,21,22)/t6-,7-,9-,10-,11-,12+,13-,15+,16+/m1/s1",C[C@@H]1CC[C@@H]2C(C(=O)O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C16H24O9,,360.1420323479999,DSXFHNSGLYXPNG,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Cistanche phelypaea,675210.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Orobanchaceae'],['Orobancheae'],['Cistanche'],['Cistanche phelypaea'],4,3,8.44727373123169 105322,4064,173,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.73681843,ISDB,DSXFHNSGLYXPNG-PKUPRILXSA-N,"InChI=1S/C16H24O9/c1-6-2-3-7-8(14(21)22)5-23-15(10(6)7)25-16-13(20)12(19)11(18)9(4-17)24-16/h5-7,9-13,15-20H,2-4H2,1H3,(H,21,22)/t6-,7-,9-,10-,11-,12+,13-,15+,16+/m1/s1",C[C@@H]1CC[C@@H]2C(C(=O)O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C16H24O9,,360.1420323479999,DSXFHNSGLYXPNG,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Cistanche tubulosa,368050.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Orobanchaceae'],['Orobancheae'],['Cistanche'],['Cistanche tubulosa'],4,3,8.44727373123169 105323,4064,173,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.73681843,ISDB,DSXFHNSGLYXPNG-MDIWZKTHSA-N,"InChI=1S/C16H24O9/c1-6-2-3-7-8(14(21)22)5-23-15(10(6)7)25-16-13(20)12(19)11(18)9(4-17)24-16/h5-7,9-13,15-20H,2-4H2,1H3,(H,21,22)/t6-,7-,9+,10-,11+,12-,13+,15+,16-/m0/s1",C[C@H]1CC[C@H]2C(C(=O)O)=CO[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]12,C16H24O9,,360.142032348,DSXFHNSGLYXPNG,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Nepeta caesarea,6082674.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Nepeta'],['Nepeta caesarea'],4,3,8.44727373123169 105324,4064,173,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.73681843,ISDB,DSXFHNSGLYXPNG-PKUPRILXSA-N,"InChI=1S/C16H24O9/c1-6-2-3-7-8(14(21)22)5-23-15(10(6)7)25-16-13(20)12(19)11(18)9(4-17)24-16/h5-7,9-13,15-20H,2-4H2,1H3,(H,21,22)/t6-,7-,9-,10-,11-,12+,13-,15+,16+/m1/s1",C[C@@H]1CC[C@@H]2C(C(=O)O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C16H24O9,,360.1420323479999,DSXFHNSGLYXPNG,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Scyphiphora hydrophylacea,558798.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Scyphiphoreae'],['Scyphiphora'],['Scyphiphora hydrophyllacea'],4,3,8.44727373123169 105325,4064,173,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.73681843,ISDB,DSXFHNSGLYXPNG-PKUPRILXSA-N,"InChI=1S/C16H24O9/c1-6-2-3-7-8(14(21)22)5-23-15(10(6)7)25-16-13(20)12(19)11(18)9(4-17)24-16/h5-7,9-13,15-20H,2-4H2,1H3,(H,21,22)/t6-,7-,9-,10-,11-,12+,13-,15+,16+/m1/s1",C[C@@H]1CC[C@@H]2C(C(=O)O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C16H24O9,,360.1420323479999,DSXFHNSGLYXPNG,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Scyphiphora hydrophyllacea,558798.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Scyphiphoreae'],['Scyphiphora'],['Scyphiphora hydrophyllacea'],4,3,8.44727373123169 105326,4064,173,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.73681843,ISDB,DSXFHNSGLYXPNG-PKUPRILXSA-N,"InChI=1S/C16H24O9/c1-6-2-3-7-8(14(21)22)5-23-15(10(6)7)25-16-13(20)12(19)11(18)9(4-17)24-16/h5-7,9-13,15-20H,2-4H2,1H3,(H,21,22)/t6-,7-,9-,10-,11-,12+,13-,15+,16+/m1/s1",C[C@@H]1CC[C@@H]2C(C(=O)O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C16H24O9,,360.1420323479999,DSXFHNSGLYXPNG,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Pedicularis kansuensis,388725.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Orobanchaceae'],['Pedicularideae'],['Pedicularis'],['Pedicularis kansuensis'],4,3,8.44727373123169 105327,4064,173,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.73681843,ISDB,DSXFHNSGLYXPNG-PKUPRILXSA-N,"InChI=1S/C16H24O9/c1-6-2-3-7-8(14(21)22)5-23-15(10(6)7)25-16-13(20)12(19)11(18)9(4-17)24-16/h5-7,9-13,15-20H,2-4H2,1H3,(H,21,22)/t6-,7-,9-,10-,11-,12+,13-,15+,16+/m1/s1",C[C@@H]1CC[C@@H]2C(C(=O)O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C16H24O9,,360.1420323479999,DSXFHNSGLYXPNG,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Boschniakia rossica,722922.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Orobanchaceae'],['Orobancheae'],['Boschniakia'],['Boschniakia rossica'],4,3,8.44727373123169 105328,4064,173,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.73681843,ISDB,DSXFHNSGLYXPNG-PKUPRILXSA-N,"InChI=1S/C16H24O9/c1-6-2-3-7-8(14(21)22)5-23-15(10(6)7)25-16-13(20)12(19)11(18)9(4-17)24-16/h5-7,9-13,15-20H,2-4H2,1H3,(H,21,22)/t6-,7-,9-,10-,11-,12+,13-,15+,16+/m1/s1",C[C@@H]1CC[C@@H]2C(C(=O)O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C16H24O9,,360.1420323479999,DSXFHNSGLYXPNG,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Incarvillea delavayi,1066484.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Bignoniaceae'],['Tecomeae'],['Incarvillea'],['Incarvillea delavayi'],4,3,8.44727373123169 105329,4064,173,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.73681843,ISDB,DSXFHNSGLYXPNG-UHFFFAOYSA-N,"InChI=1S/C16H24O9/c1-6-2-3-7-8(14(21)22)5-23-15(10(6)7)25-16-13(20)12(19)11(18)9(4-17)24-16/h5-7,9-13,15-20H,2-4H2,1H3,(H,21,22)",CC1CCC2C(C(=O)O)=COC(OC3OC(CO)C(O)C(O)C3O)C12,C16H24O9,,360.142032348,DSXFHNSGLYXPNG,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Incarvillea diffusa,591883.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Bignoniaceae'],['Tecomeae'],['Incarvillea'],['Incarvillea arguta'],4,3,8.44727373123169 105330,4064,173,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.73681843,ISDB,DSXFHNSGLYXPNG-UHFFFAOYSA-N,"InChI=1S/C16H24O9/c1-6-2-3-7-8(14(21)22)5-23-15(10(6)7)25-16-13(20)12(19)11(18)9(4-17)24-16/h5-7,9-13,15-20H,2-4H2,1H3,(H,21,22)",CC1CCC2C(C(=O)O)=COC(OC3OC(CO)C(O)C(O)C3O)C12,C16H24O9,,360.142032348,DSXFHNSGLYXPNG,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Incarvillea arguta,591883.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Bignoniaceae'],['Tecomeae'],['Incarvillea'],['Incarvillea arguta'],4,3,8.44727373123169 105331,4064,173,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.73681843,ISDB,DSXFHNSGLYXPNG-MDIWZKTHSA-N,"InChI=1S/C16H24O9/c1-6-2-3-7-8(14(21)22)5-23-15(10(6)7)25-16-13(20)12(19)11(18)9(4-17)24-16/h5-7,9-13,15-20H,2-4H2,1H3,(H,21,22)/t6-,7-,9+,10-,11+,12-,13+,15+,16-/m0/s1",C[C@H]1CC[C@H]2C(C(=O)O)=CO[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]12,C16H24O9,,360.142032348,DSXFHNSGLYXPNG,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Nepeta grandiflora,304980.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Nepeta'],['Nepeta grandiflora'],4,3,8.44727373123169 105306,4061,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QLJNETOQFQXTLI-JKUDBEEXSA-N,"InChI=1S/C26H32O11/c1-32-18-7-12(3-5-16(18)28)24-14-10-35-25(15(14)11-34-24)13-4-6-17(19(8-13)33-2)36-26-23(31)22(30)21(29)20(9-27)37-26/h3-8,14-15,20-31H,9-11H2,1-2H3/t14-,15-,20-,21-,22+,23-,24+,25+,26-/m1/s1",COc1cc([C@@H]2OC[C@@H]3[C@H]2CO[C@H]3c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)ccc1O,C26H32O11,pos_1_1proton1ammonium,520.1944618439999,QLJNETOQFQXTLI,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Clematis hexapetala,226633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis hexapetala'],8,1,8.5 105307,4061,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QLJNETOQFQXTLI-JKUDBEEXSA-N,"InChI=1S/C26H32O11/c1-32-18-7-12(3-5-16(18)28)24-14-10-35-25(15(14)11-34-24)13-4-6-17(19(8-13)33-2)36-26-23(31)22(30)21(29)20(9-27)37-26/h3-8,14-15,20-31H,9-11H2,1-2H3/t14-,15-,20-,21-,22+,23-,24+,25+,26-/m1/s1",COc1cc([C@@H]2OC[C@@H]3[C@H]2CO[C@H]3c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)ccc1O,C26H32O11,pos_1_1proton1ammonium,520.1944618439999,QLJNETOQFQXTLI,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Clematis hexapetala,226633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis hexapetala'],8,1,8.5 105304,4059,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,VWFJDQUYCIWHTN-YFVJMOTDSA-N,"InChI=1S/C15H28O7P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-21-24(19,20)22-23(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H,19,20)(H2,16,17,18)/b14-9+,15-11+",CC(C)=CCC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O,C15H28O7P2,pos_1_1proton1dmso,382.131026496,VWFJDQUYCIWHTN,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 105305,4059,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,VWFJDQUYCIWHTN-YFVJMOTDSA-N,"InChI=1S/C15H28O7P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-21-24(19,20)22-23(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H,19,20)(H2,16,17,18)/b14-9+,15-11+",CC(C)=CCC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O,C15H28O7P2,pos_1_1proton1dmso,382.131026496,VWFJDQUYCIWHTN,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 105303,4057,62,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,FNYPZWBJPFEVFN-YLCGFITOSA-N,"InChI=1S/C23H29NO10/c1-2-14-15(6-5-13-4-3-7-24(10-13)8-9-25)16(21(30)31)12-32-22(14)34-23-20(29)19(28)18(27)17(11-26)33-23/h2-7,10,12,14-15,17-20,22-23,25-29H,1,8-9,11H2/b6-5+/t14-,15+,17-,18-,19+,20-,22+,23+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)[O-])[C@H]1/C=C/c1ccc[n+](CCO)c1,C23H29NO10,pos_1_1proton1ethylamine,479.179146128,FNYPZWBJPFEVFN,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 105293,4056,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.5730056,ISDB,MDJZLBDKRQWNKH-UHFFFAOYSA-N,"InChI=1S/C30H58O3/c1-3-4-5-6-7-8-9-10-11-14-17-20-23-26-29(31)27-24-21-18-15-12-13-16-19-22-25-28-30(32)33-2/h3-28H2,1-2H3",CCCCCCCCCCCCCCCC(=O)CCCCCCCCCCCCC(=O)OC,C30H58O3,,466.438595716,MDJZLBDKRQWNKH,Fatty acids,Fatty Acids and Conjugates,Oxo fatty acids,Tridax procumbens,709028.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Millerieae'],['Tridax'],['Tridax procumbens'],4,2,7.292022466659546 105287,4054,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,GNWJYPQYWBLOGD-UHFFFAOYSA-N,"InChI=1S/C15H28O/c1-10(2)12-7-8-15(4)13(9-12)11(3)5-6-14(15)16/h10-14,16H,5-9H2,1-4H3",CC(C)C1CCC2(C)C(O)CCC(C)C2C1,C15H28O,pos_2MH,224.214015516,GNWJYPQYWBLOGD,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 105288,4054,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,XJUPKJSSFJJSEQ-UHFFFAOYSA-N,"InChI=1S/C15H28O/c1-11-6-5-7-12-8-9-13(14(2,3)16)10-15(11,12)4/h11-13,16H,5-10H2,1-4H3",CC1CCCC2CCC(C(C)(C)O)CC12C,C15H28O,pos_2MH,224.214015516,XJUPKJSSFJJSEQ,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 105282,4053,-1,,,,0.3507229,ISDB,ZLDYUMOPQLDZRB-XAGHOVOHSA-N,"InChI=1S/C15H26O5/c1-11(5-4-6-12(2)9-14(18)19)7-8-13(17)15(3,20)10-16/h5,9,13,16-17,20H,4,6-8,10H2,1-3H3,(H,18,19)/b11-5+,12-9-",C/C(=C/C(=O)O)CC/C=C(\C)CCC(O)C(C)(O)CO,C15H26O5,,286.178023932,ZLDYUMOPQLDZRB,Terpenoids,Monoterpenoids,,Aspergillus,550772.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Aspergillus'],['Unknown'],1,0,2.4028916358947754 105277,4049,245,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,DNZCAZQBJHUVDX-UNVNEXTGSA-N,"InChI=1S/C35H52O20/c1-6-14-15(8-22(46-3)47-4)17(11-49-32(14)54-34-28(42)26(40)24(38)20(9-36)52-34)31(45)51-19-7-16-18(30(44)48-5)12-50-33(23(16)13(19)2)55-35-29(43)27(41)25(39)21(10-37)53-35/h6,11-16,19-29,32-43H,1,7-10H2,2-5H3/t13-,14+,15-,16+,19-,20+,21+,23+,24+,25+,26-,27-,28+,29+,32-,33-,34-,35-/m0/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)O[C@H]2C[C@@H]3C(C(=O)OC)=CO[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3[C@H]2C)[C@H]1CC(OC)OC,C35H52O20,pos_2_1proton1sodium,792.305194064,DNZCAZQBJHUVDX,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Triplostegia glandulifera,819330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Triplostegia'],['Triplostegia glandulifera'],6,3,7.5 105278,4049,245,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,DNZCAZQBJHUVDX-UNVNEXTGSA-N,"InChI=1S/C35H52O20/c1-6-14-15(8-22(46-3)47-4)17(11-49-32(14)54-34-28(42)26(40)24(38)20(9-36)52-34)31(45)51-19-7-16-18(30(44)48-5)12-50-33(23(16)13(19)2)55-35-29(43)27(41)25(39)21(10-37)53-35/h6,11-16,19-29,32-43H,1,7-10H2,2-5H3/t13-,14+,15-,16+,19-,20+,21+,23+,24+,25+,26-,27-,28+,29+,32-,33-,34-,35-/m0/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)O[C@H]2C[C@@H]3C(C(=O)OC)=CO[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3[C@H]2C)[C@H]1CC(OC)OC,C35H52O20,pos_2_1proton1sodium,792.305194064,DNZCAZQBJHUVDX,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Triplostegia grandiflora,487561.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Triplostegia'],['Triplostegia grandiflora'],6,3,7.5 105279,4049,245,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,DNZCAZQBJHUVDX-LAJPPLAUSA-N,"InChI=1S/C35H52O20/c1-6-14-15(8-22(46-3)47-4)17(11-49-32(14)54-34-28(42)26(40)24(38)20(9-36)52-34)31(45)51-19-7-16-18(30(44)48-5)12-50-33(23(16)13(19)2)55-35-29(43)27(41)25(39)21(10-37)53-35/h6,11-16,19-29,32-43H,1,7-10H2,2-5H3/t13-,14-,15-,16+,19+,20-,21-,23+,24+,25+,26+,27+,28-,29-,32+,33+,34+,35+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)O[C@H]2C[C@H]3C(C(=O)OC)=CO[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3[C@@H]2C)[C@@H]1CC(OC)OC,C35H52O20,pos_2_1proton1sodium,792.305194064,DNZCAZQBJHUVDX,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Dipsacus inermis,776357.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Dipsacus'],['Dipsacus inermis'],6,3,7.5 105280,4049,245,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,DNZCAZQBJHUVDX-LAJPPLAUSA-N,"InChI=1S/C35H52O20/c1-6-14-15(8-22(46-3)47-4)17(11-49-32(14)54-34-28(42)26(40)24(38)20(9-36)52-34)31(45)51-19-7-16-18(30(44)48-5)12-50-33(23(16)13(19)2)55-35-29(43)27(41)25(39)21(10-37)53-35/h6,11-16,19-29,32-43H,1,7-10H2,2-5H3/t13-,14-,15-,16+,19+,20-,21-,23+,24+,25+,26+,27+,28-,29-,32+,33+,34+,35+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)O[C@H]2C[C@H]3C(C(=O)OC)=CO[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3[C@@H]2C)[C@@H]1CC(OC)OC,C35H52O20,pos_2_1proton1sodium,792.305194064,DNZCAZQBJHUVDX,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Dipsacus asper,365911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Dipsacus'],['Dipsacus asper'],6,3,7.5 105281,4049,245,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,DNZCAZQBJHUVDX-UNVNEXTGSA-N,"InChI=1S/C35H52O20/c1-6-14-15(8-22(46-3)47-4)17(11-49-32(14)54-34-28(42)26(40)24(38)20(9-36)52-34)31(45)51-19-7-16-18(30(44)48-5)12-50-33(23(16)13(19)2)55-35-29(43)27(41)25(39)21(10-37)53-35/h6,11-16,19-29,32-43H,1,7-10H2,2-5H3/t13-,14+,15-,16+,19-,20+,21+,23+,24+,25+,26-,27-,28+,29+,32-,33-,34-,35-/m0/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)O[C@H]2C[C@@H]3C(C(=O)OC)=CO[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3[C@H]2C)[C@H]1CC(OC)OC,C35H52O20,pos_2_1proton1sodium,792.305194064,DNZCAZQBJHUVDX,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Pterocephalus pinardii,5144236.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Pterocephalus'],['Pterocephalus pinardii'],6,3,7.5 103885,4048,26,Terpenoids,Sesquiterpenoids,Nardosinane sesquiterpenoids,0.37232682,ISDB,GYTISTMGTHKMCE-RMHXPDDSSA-N,"InChI=1S/C15H20O4/c1-7-5-8(16)6-9-10(17)11-12(19-11)13(14(2,3)18)15(7,9)4/h6-7,11-13,18H,5H2,1-4H3/t7-,11-,12-,13+,15+/m1/s1",C[C@@H]1CC(=O)C=C2C(=O)[C@H]3O[C@H]3[C@@H](C(C)(C)O)[C@]21C,C15H20O4,,264.13615912,GYTISTMGTHKMCE,Terpenoids,Sesquiterpenoids,Nardosinane sesquiterpenoids,Nardostachys jatamansi,24101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Nardostachys'],['Nardostachys jatamansi'],6,3,8.989307284355164 103884,4047,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.35210556,ISDB,,,,,,,AYSWQYNATUUOGQ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.4084222316741943 103881,4042,438,Terpenoids,Steroids,Ergostane steroids,0.4332482,ISDB,,,,,,,SEALMLPNXUIEJE,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.7329927682876587 103880,4040,1272,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,KLQIXIQHWLZXBE-CWDKFGSUSA-N,"InChI=1S/C23H30O8/c1-6-14(4)8-20(26)30-18-9-17-16(10-27-15(5)24)11-28-22(21(17)23(18)12-29-23)31-19(25)7-13(2)3/h7,9,11,14,18,21-22H,6,8,10,12H2,1-5H3/t14-,18-,21+,22-,23+/m0/s1",CC[C@H](C)CC(=O)O[C@H]1C=C2C(COC(C)=O)=CO[C@@H](OC(=O)C=C(C)C)[C@@H]2[C@@]12CO2,C23H30O8,pos_1_1proton1ammonium,434.19406792,KLQIXIQHWLZXBE,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana sorbifolia,445623.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana sorbifolia'],6,3,7.5 103856,4036,178,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.65270907,ISDB,IHEBZQKYPSMVBZ-UHFFFAOYSA-N,"InChI=1S/C10H8O2/c1-7-5-12-6-10-8(4-11)2-3-9(7)10/h2-6H,1H3",Cc1cocc2c(C=O)ccc1-2,C10H8O2,,160.052429496,IHEBZQKYPSMVBZ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Viburnum tinus,51742.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Adoxaceae'],['Unknown'],['Viburnum'],['Viburnum tinus'],5,0,7.6108362674713135 103857,4036,178,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.65270907,ISDB,IHEBZQKYPSMVBZ-UHFFFAOYSA-N,"InChI=1S/C10H8O2/c1-7-5-12-6-10-8(4-11)2-3-9(7)10/h2-6H,1H3",Cc1cocc2c(C=O)ccc1-2,C10H8O2,,160.052429496,IHEBZQKYPSMVBZ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Viburnum opulus,117453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Adoxaceae'],['Unknown'],['Viburnum'],['Viburnum opulus'],5,0,7.6108362674713135 103852,4032,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,CRZQGDNQQAALAY-UHFFFAOYSA-N,"InChI=1S/C9H10O2/c1-11-9(10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3",COC(=O)Cc1ccccc1,C9H10O2,pos_1_1proton,150.06807956,CRZQGDNQQAALAY,Shikimates and Phenylpropanoids,,,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],8,0,8.0 103842,4029,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.35077786,ISDB,DHOXZZVHZKDVKN-FGGGPQFZSA-N,"InChI=1S/C28H54O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27(2)25-31-26-28(30)24-29/h19-20,25,28-30H,3-18,21-24,26H2,1-2H3/b20-19-,27-25+/t28-/m0/s1",CCCCCCCCCCCCCCCCC/C=C\CCC/C(C)=C/OC[C@@H](O)CO,C28H54O3,,438.407295588,DHOXZZVHZKDVKN,Fatty acids,Glycerolipids,Monoacylglycerols,Stylissa carteri,561241.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Axinellida'],['Axinellidae'],['Unknown'],['Stylissa'],['Stylissa carteri'],1,3,3.903111457824707 103841,4026,-1,,,,0.0,MS1_match,VINQZMMOIPTITQ-QWYWWIDCSA-N,"InChI=1S/C48H78O18/c1-22-38(66-41-36(57)33(54)31(52)26(64-41)20-61-39-35(56)32(53)30(51)25(19-49)63-39)34(55)37(58)40(62-22)65-29-11-12-44(4)27(45(29,5)21-50)10-13-47(7)28(44)9-8-23-24-18-43(2,3)14-16-48(24,42(59)60)17-15-46(23,47)6/h8,22,24-41,49-58H,9-21H2,1-7H3,(H,59,60)/t22-,24-,25+,26+,27+,28+,29-,30+,31+,32-,33-,34-,35+,36+,37+,38-,39+,40-,41-,44-,45-,46+,47+,48-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC=C3[C@@H]5CC(C)(C)CC[C@]5(C(=O)O)CC[C@]34C)[C@]2(C)CO)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C48H78O18,pos_2_1proton1potassium,942.518815656,VINQZMMOIPTITQ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Cephalaria transsylvanica,3892197.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Cephalaria'],['Cephalaria transsylvanica'],6,0,6.0 103840,4025,-1,,,,0.0,MS1_match,RKMQRPYLPSKVNS-UHFFFAOYSA-N,"InChI=1S/C6H10O4/c1-10-6(9)3-2-5(8)4-7/h7H,2-4H2,1H3",COC(=O)CCC(=O)CO,C6H10O4,pos_2MHNH3,146.0579088,RKMQRPYLPSKVNS,Fatty acids,Fatty Acids and Conjugates,,Clematis delavayi,72769.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis delavayi'],8,0,8.0 103823,4024,62,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.54232216,ISDB,TXPPGEHBRJWGMZ-APACUCGBSA-N,"InChI=1S/C16H24O7/c1-8-5-4-6-16(2,3)10(8)14(21)23-15-13(20)12(19)11(18)9(7-17)22-15/h4-5,9,11-13,15,17-20H,6-7H2,1-3H3/t9-,11-,12+,13-,15+/m1/s1",CC1=C(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)CC=C1,C16H24O7,,328.152203108,TXPPGEHBRJWGMZ,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Gardenia jasminoides,919367.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Gardenieae'],['Gardenia'],['Gardenia jasminoides'],4,2,7.169288635253906 103819,4021,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,CRZQGDNQQAALAY-UHFFFAOYSA-N,"InChI=1S/C9H10O2/c1-11-9(10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3",COC(=O)Cc1ccccc1,C9H10O2,pos_1_1proton,150.06807956,CRZQGDNQQAALAY,Shikimates and Phenylpropanoids,,,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],8,0,8.0 103778,4020,-1,,,,0.50374013,ISDB,NFNNJFPVLGHNPC-PABGKVSNSA-N,"InChI=1S/C25H34O7/c1-6-14(2)20(26)31-19-11-15(3)24(12-17(30-21(24)27)16-8-10-29-13-16)25(28)9-7-18-23(5,32-18)22(19,25)4/h8,10,13-15,17-19,28H,6-7,9,11-12H2,1-5H3/t14-,15-,17-,18-,19-,22-,23-,24+,25-/m1/s1",CC[C@@H](C)C(=O)O[C@@H]1C[C@@H](C)[C@]2(C[C@H](c3ccoc3)OC2=O)[C@@]2(O)CC[C@H]3O[C@@]3(C)[C@@]12C,C25H34O7,,446.230453428,NFNNJFPVLGHNPC,Terpenoids,Diterpenoids,Halimane diterpenoids,Microglossa pyrrhopappa,1008392.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Conyza'],['Conyza pyrrhopappa'],4,0,6.014960527420044 103777,4019,-1,,,,0.34699324,ISDB,,,,,,,WGPJMKWCIFKCET,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.3879729509353638 103776,4018,43,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,AWNLUIGMHSSXHB-BYPYZUCNSA-N,"InChI=1S/C5H6O3/c6-3-4-1-2-5(7)8-4/h1-2,4,6H,3H2/t4-/m0/s1",O=C1C=C[C@@H](CO)O1,C5H6O3,pos_2MH,114.031694052,AWNLUIGMHSSXHB,,,,Patrinia villosa,971855.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia villosa'],6,0,6.0 103770,4016,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.6813435,ISDB,,,,,,,FBLNHSDBHNXKFB,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.7253739833831787 103768,4013,62,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,CHSDMOZSQFIUGK-MZHNZBIYSA-N,"InChI=1S/C21H32O12/c1-8(2)3-11(24)32-19-13-12(17-18(33-17)21(13,28)7-23)9(5-29-19)6-30-20-16(27)15(26)14(25)10(4-22)31-20/h5,8,10,12-20,22-23,25-28H,3-4,6-7H2,1-2H3/t10-,12-,13-,14-,15+,16-,17+,18+,19+,20-,21-/m1/s1",CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]3O[C@@H]3[C@@](O)(CO)[C@@H]12,C21H32O12,pos_1_1sodium1acetonitrile,476.189376464,CHSDMOZSQFIUGK,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,3,7.5 103769,4013,62,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,CHSDMOZSQFIUGK-MZHNZBIYSA-N,"InChI=1S/C21H32O12/c1-8(2)3-11(24)32-19-13-12(17-18(33-17)21(13,28)7-23)9(5-29-19)6-30-20-16(27)15(26)14(25)10(4-22)31-20/h5,8,10,12-20,22-23,25-28H,3-4,6-7H2,1-2H3/t10-,12-,13-,14-,15+,16-,17+,18+,19+,20-,21-/m1/s1",CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]3O[C@@H]3[C@@](O)(CO)[C@@H]12,C21H32O12,pos_1_1sodium1acetonitrile,476.189376464,CHSDMOZSQFIUGK,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana fauriei,228778.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana fauriei'],6,3,7.5 103434,4011,1124,Terpenoids,Sesquiterpenoids,Bufadienolides,0.6935779,ISDB,QRGXNNLNKJPFIX-LBPRGKRZSA-N,"InChI=1S/C12H16O3/c1-9-4-6-11(7-5-9)12(3,14)8-15-10(2)13/h4-7,14H,8H2,1-3H3/t12-/m0/s1",CC(=O)OC[C@](C)(O)c1ccc(C)cc1,C12H16O3,,208.109944372,QRGXNNLNKJPFIX,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Haplopappus remyanus,7599243.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Haplopappus'],['Haplopappus remyanus'],4,2,7.774311542510986 103428,4010,438,Terpenoids,Steroids,Ergostane steroids,0.26490924,ISDB,FIPQOHZMDJGHRY-UFRBZJLLSA-N,"InChI=1S/C28H36O6/c1-15-18-8-10-27(34-28(15)22(31)16(2)23(3,4)33-28)21-14-20(30)19-13-17(29)7-9-24(19,5)26(21,32)12-11-25(18,27)6/h11-16,18,22,31-32H,7-10H2,1-6H3/t15-,16-,18+,22+,24-,25+,26+,27-,28-/m0/s1",C[C@H]1[C@@H](O)[C@@]2(OC1(C)C)O[C@]13CC[C@H]([C@@H]2C)[C@@]1(C)C=C[C@@]1(O)C3=CC(=O)C2=CC(=O)CC[C@@]21C,C28H36O6,,468.251188872,FIPQOHZMDJGHRY,Terpenoids,Steroids,Ergostane steroids,Agaricus blazei,831704.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Agaricomycetes'],['Agaricales'],['Agaricaceae'],['Unknown'],['Agaricus'],['Agaricus blazei'],1,3,3.559636950492859 103400,4007,-1,,,,0.34202263,ISDB,GIZSHQYTTBQKOQ-OIBJUYFYSA-N,"InChI=1S/C11H16O6/c1-16-8-3-6(10(14)7(13)5-12)4-9(17-2)11(8)15/h3-4,7,10,12-15H,5H2,1-2H3/t7-,10+/m0/s1",COc1cc([C@@H](O)[C@@H](O)CO)cc(OC)c1O,C11H16O6,,244.094688232,GIZSHQYTTBQKOQ,Shikimates and Phenylpropanoids,Lignans,Minor lignans,Kandelia candel,973786.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Rhizophoraceae'],['Unknown'],['Kandelia'],['Kandelia candel'],4,0,5.368090510368347 103401,4007,-1,,,,0.34202263,ISDB,GIZSHQYTTBQKOQ-GMSGAONNSA-N,"InChI=1S/C11H16O6/c1-16-8-3-6(10(14)7(13)5-12)4-9(17-2)11(8)15/h3-4,7,10,12-15H,5H2,1-2H3/t7-,10-/m1/s1",COc1cc([C@@H](O)[C@H](O)CO)cc(OC)c1O,C11H16O6,,244.094688232,GIZSHQYTTBQKOQ,Shikimates and Phenylpropanoids,Lignans,Minor lignans,Magnolia grandiflora,622553.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia grandiflora'],4,0,5.368090510368347 103402,4007,-1,,,,0.34202263,ISDB,GIZSHQYTTBQKOQ-XVKPBYJWSA-N,"InChI=1S/C11H16O6/c1-16-8-3-6(10(14)7(13)5-12)4-9(17-2)11(8)15/h3-4,7,10,12-15H,5H2,1-2H3/t7-,10-/m0/s1",COc1cc([C@H](O)[C@@H](O)CO)cc(OC)c1O,C11H16O6,,244.094688232,GIZSHQYTTBQKOQ,Shikimates and Phenylpropanoids,Lignans,Minor lignans,Coix lacryma-jobi,83448.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Coix'],['Coix lacryma-jobi'],4,0,5.368090510368347 103397,4006,173,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,XCXZPJYVZYGBQA-QKPADMPASA-N,"InChI=1S/C22H34O15/c1-6-9(24)2-7-8(19(31)32)4-33-20(12(6)7)37-22-18(30)16(28)14(26)11(36-22)5-34-21-17(29)15(27)13(25)10(3-23)35-21/h4,6-7,9-18,20-30H,2-3,5H2,1H3,(H,31,32)/t6-,7+,9-,10+,11+,12+,13+,14+,15-,16-,17+,18+,20-,21+,22-/m0/s1",C[C@@H]1[C@H]2[C@H](O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)O)[C@H]2C[C@@H]1O,C22H34O15,pos_1_1proton1ammonium,538.189770388,XCXZPJYVZYGBQA,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Dipsacus inermis,776357.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Dipsacus'],['Dipsacus inermis'],6,3,7.5 103398,4006,173,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,XCXZPJYVZYGBQA-QKPADMPASA-N,"InChI=1S/C22H34O15/c1-6-9(24)2-7-8(19(31)32)4-33-20(12(6)7)37-22-18(30)16(28)14(26)11(36-22)5-34-21-17(29)15(27)13(25)10(3-23)35-21/h4,6-7,9-18,20-30H,2-3,5H2,1H3,(H,31,32)/t6-,7+,9-,10+,11+,12+,13+,14+,15-,16-,17+,18+,20-,21+,22-/m0/s1",C[C@@H]1[C@H]2[C@H](O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)O)[C@H]2C[C@@H]1O,C22H34O15,pos_1_1proton1ammonium,538.189770388,XCXZPJYVZYGBQA,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Dipsacus asper,365911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Dipsacus'],['Dipsacus asper'],6,3,7.5 103399,4006,173,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,XCXZPJYVZYGBQA-QKPADMPASA-N,"InChI=1S/C22H34O15/c1-6-9(24)2-7-8(19(31)32)4-33-20(12(6)7)37-22-18(30)16(28)14(26)11(36-22)5-34-21-17(29)15(27)13(25)10(3-23)35-21/h4,6-7,9-18,20-30H,2-3,5H2,1H3,(H,31,32)/t6-,7+,9-,10+,11+,12+,13+,14+,15-,16-,17+,18+,20-,21+,22-/m0/s1",C[C@@H]1[C@H]2[C@H](O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)O)[C@H]2C[C@@H]1O,C22H34O15,pos_1_1proton1ammonium,538.189770388,XCXZPJYVZYGBQA,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Dipsacus asperoides,589185.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Dipsacus'],['Dipsacus asperoides'],6,3,7.5 103396,4005,-1,,,,0.0,MS1_match,SFLJKERWIWKVDG-TVAJMVSCSA-N,"InChI=1S/C16H26O10/c1-15(22)7-5-24-14(21)16(2,23)6(7)3-9(15)26-13-12(20)11(19)10(18)8(4-17)25-13/h6-13,17-20,22-23H,3-5H2,1-2H3/t6-,7-,8+,9-,10+,11-,12+,13-,15-,16-/m0/s1",C[C@@]1(O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C[C@H]2[C@@H]1COC(=O)[C@@]2(C)O,C16H26O10,pos_1_minus1proton2sodium,378.152597032,SFLJKERWIWKVDG,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia scabra,68239.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia scabra'],6,0,6.0 103378,4004,-1,,,,0.0,MS1_match,HEYZWPRKKUGDCR-QBXMEVCASA-N,"InChI=1S/C16H22O10/c1-2-7-14(24-6-8-13(21)23-4-3-16(7,8)22)26-15-12(20)11(19)10(18)9(5-17)25-15/h2,6-7,9-12,14-15,17-20,22H,1,3-5H2/t7-,9+,10+,11-,12+,14-,15-,16+/m0/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCC[C@]21O,C16H22O10,pos_1_1proton1dmso,374.1212969039999,HEYZWPRKKUGDCR,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 103379,4004,-1,,,,0.0,MS1_match,PUEUIRDVQIKCCG-UHFFFAOYSA-N,"InChI=1S/C16H22O10/c1-2-7-8(3-4-17)9(14(22)23)6-24-15(7)26-16-13(21)12(20)11(19)10(5-18)25-16/h2,4,6-8,10-13,15-16,18-21H,1,3,5H2,(H,22,23)",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)O)C1CC=O,C16H22O10,pos_1_1proton1dmso,374.1212969039999,PUEUIRDVQIKCCG,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],7,0,7.0 103380,4004,-1,,,,0.0,MS1_match,PUEUIRDVQIKCCG-GMHYLCIRSA-N,"InChI=1S/C16H22O10/c1-2-7-8(3-4-17)9(14(22)23)6-24-15(7)26-16-13(21)12(20)11(19)10(5-18)25-16/h2,4,6-8,10-13,15-16,18-21H,1,3,5H2,(H,22,23)/t7?,8?,10-,11-,12+,13-,15+,16+/m1/s1",C=CC1C(CC=O)C(C(=O)O)=CO[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H22O10,pos_1_1proton1dmso,374.1212969039999,PUEUIRDVQIKCCG,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 103381,4004,-1,,,,0.0,MS1_match,PUEUIRDVQIKCCG-UHFFFAOYSA-N,"InChI=1S/C16H22O10/c1-2-7-8(3-4-17)9(14(22)23)6-24-15(7)26-16-13(21)12(20)11(19)10(5-18)25-16/h2,4,6-8,10-13,15-16,18-21H,1,3,5H2,(H,22,23)",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)O)C1CC=O,C16H22O10,pos_1_1proton1dmso,374.1212969039999,PUEUIRDVQIKCCG,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],7,0,7.0 103382,4004,-1,,,,0.0,MS1_match,HEYZWPRKKUGDCR-QBXMEVCASA-N,"InChI=1S/C16H22O10/c1-2-7-14(24-6-8-13(21)23-4-3-16(7,8)22)26-15-12(20)11(19)10(18)9(5-17)25-15/h2,6-7,9-12,14-15,17-20,22H,1,3-5H2/t7-,9+,10+,11-,12+,14-,15-,16+/m0/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCC[C@]21O,C16H22O10,pos_1_1proton1dmso,374.1212969039999,HEYZWPRKKUGDCR,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 103383,4004,-1,,,,0.0,MS1_match,PUEUIRDVQIKCCG-GMHYLCIRSA-N,"InChI=1S/C16H22O10/c1-2-7-8(3-4-17)9(14(22)23)6-24-15(7)26-16-13(21)12(20)11(19)10(5-18)25-16/h2,4,6-8,10-13,15-16,18-21H,1,3,5H2,(H,22,23)/t7?,8?,10-,11-,12+,13-,15+,16+/m1/s1",C=CC1C(CC=O)C(C(=O)O)=CO[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H22O10,pos_1_1proton1dmso,374.1212969039999,PUEUIRDVQIKCCG,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 103375,4003,367,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,JNPXCTROEJQHKD-KAZAEUKGSA-N,"InChI=1S/C21H30O13/c1-2-9-10-3-4-29-17(27)11(10)5-30-18(9)34-19-15(25)14(24)13(23)12(33-19)6-31-20-16(26)21(28,7-22)8-32-20/h2,5,9-10,12-16,18-20,22-26,28H,1,3-4,6-8H2/t9-,10-,12+,13+,14-,15+,16-,18-,19-,20+,21+/m0/s1",C=C[C@@H]1[C@H](O[C@@H]2O[C@H](CO[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCC[C@H]21,C21H30O13,pos_2_1proton1potassium,490.16864102,JNPXCTROEJQHKD,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera quinquelocularis,118025.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera quinquelocularis'],7,3,8.5 103373,3998,62,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,IBQVOWQTGYYRJP-GEHXJZNZSA-N,"InChI=1S/C26H32O13/c1-34-16-7-12(3-5-14(16)28)22-25(32)10-37-23(26(25,33)11-36-22)13-4-6-15(17(8-13)35-2)38-24-21(31)20(30)19(29)18(9-27)39-24/h3-8,18-24,27-33H,9-11H2,1-2H3/t18-,19-,20+,21-,22-,23-,24-,25+,26+/m1/s1",COc1cc([C@H]2OC[C@]3(O)[C@@H](c4ccc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)c(OC)c4)OC[C@]23O)ccc1O,C26H32O13,pos_2MHNH3,552.1842910839998,IBQVOWQTGYYRJP,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Valeriana prionophylla,526653.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana prionophylla'],6,0,6.0 103374,3998,62,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,IBQVOWQTGYYRJP-GEHXJZNZSA-N,"InChI=1S/C26H32O13/c1-34-16-7-12(3-5-14(16)28)22-25(32)10-37-23(26(25,33)11-36-22)13-4-6-15(17(8-13)35-2)38-24-21(31)20(30)19(29)18(9-27)39-24/h3-8,18-24,27-33H,9-11H2,1-2H3/t18-,19-,20+,21-,22-,23-,24-,25+,26+/m1/s1",COc1cc([C@H]2OC[C@]3(O)[C@@H](c4ccc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)c(OC)c4)OC[C@]23O)ccc1O,C26H32O13,pos_2MHNH3,552.1842910839998,IBQVOWQTGYYRJP,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 103349,3993,-1,,,,0.0,MS1_match,JNNGEAWILNVFFD-CDJYTOATSA-N,"InChI=1S/C16H24O10/c1-5-8(18)2-6-7(14(22)23)4-24-15(10(5)6)26-16-13(21)12(20)11(19)9(3-17)25-16/h4-6,8-13,15-21H,2-3H2,1H3,(H,22,23)/t5-,6+,8-,9+,10+,11+,12-,13+,15-,16-/m0/s1",C[C@@H]1[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)O)[C@H]2C[C@@H]1O,C16H24O10,pos_2MNa,376.1369469679999,JNNGEAWILNVFFD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],8,0,8.0 103350,3993,-1,,,,0.0,MS1_match,JNNGEAWILNVFFD-CDJYTOATSA-N,"InChI=1S/C16H24O10/c1-5-8(18)2-6-7(14(22)23)4-24-15(10(5)6)26-16-13(21)12(20)11(19)9(3-17)25-16/h4-6,8-13,15-21H,2-3H2,1H3,(H,22,23)/t5-,6+,8-,9+,10+,11+,12-,13+,15-,16-/m0/s1",C[C@@H]1[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)O)[C@H]2C[C@@H]1O,C16H24O10,pos_2MNa,376.1369469679999,JNNGEAWILNVFFD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],8,0,8.0 103290,3992,-1,,,,0.39037216,ISDB,YNPUJIONBZSHJT-HEJXRFNBSA-N,"InChI=1S/C21H22O10/c1-8-15(24)17(26)19(28)21(29-8)30-11-6-12(23)14-13(7-11)31-20(18(27)16(14)25)9-2-4-10(22)5-3-9/h2-8,15,17-24,26-28H,1H3/t8-,15+,17-,18+,19-,20-,21-/m1/s1",C[C@H]1O[C@H](Oc2cc(O)c3c(c2)O[C@H](c2ccc(O)cc2)[C@@H](O)C3=O)[C@H](O)[C@H](O)[C@H]1O,C21H22O10,,434.121296904,YNPUJIONBZSHJT,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Hypericum japonicum,878899.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Hypericaceae'],['Hypericeae'],['Hypericum'],['Hypericum japonicum'],4,0,5.561488628387451 103291,3992,-1,,,,0.39037216,ISDB,YNPUJIONBZSHJT-IXOMFOKQSA-N,"InChI=1S/C21H22O10/c1-8-15(24)17(26)19(28)21(29-8)30-11-6-12(23)14-13(7-11)31-20(18(27)16(14)25)9-2-4-10(22)5-3-9/h2-8,15,17-24,26-28H,1H3/t8-,15-,17+,18-,19+,20-,21-/m0/s1",C[C@@H]1O[C@@H](Oc2cc(O)c3c(c2)O[C@@H](c2ccc(O)cc2)[C@@H](O)C3=O)[C@H](O)[C@H](O)[C@H]1O,C21H22O10,,434.121296904,YNPUJIONBZSHJT,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Chengiopanax sciadophylloides,989139.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Chengiopanax'],['Chengiopanax sciadophylloides'],4,0,5.561488628387451 103256,3991,213,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.45196688,ISDB,DPBCFTHDJGXWRI-ZYAMGDOSSA-N,"InChI=1S/C16H26O9/c1-6-7-3-10(19)16(2,14(7)23-5-8(6)18)25-15-13(22)12(21)11(20)9(4-17)24-15/h6-7,9-15,17,19-22H,3-5H2,1-2H3/t6-,7-,9-,10+,11-,12+,13-,14+,15+,16-/m1/s1",C[C@H]1C(=O)CO[C@H]2[C@@H]1C[C@H](O)[C@@]2(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H26O9,,362.157682412,DPBCFTHDJGXWRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia scabra,68239.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia scabra'],6,3,9.307867527008057 103220,3990,-1,,,,0.0,MS1_match,VSJGJMKGNMDJCI-ZASXJUAOSA-N,"InChI=1S/C16H22O9/c1-2-7-8-3-4-22-14(21)9(8)6-23-15(7)25-16-13(20)12(19)11(18)10(5-17)24-16/h2,6-8,10-13,15-20H,1,3-5H2/t7-,8+,10-,11-,12+,13-,15+,16+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCC[C@H]21,C16H22O9,pos_1_1potassium,358.126382284,VSJGJMKGNMDJCI,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera morrowii,484242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],8,0,8.0 103221,3990,-1,,,,0.0,MS1_match,VSJGJMKGNMDJCI-ZASXJUAOSA-N,"InChI=1S/C16H22O9/c1-2-7-8-3-4-22-14(21)9(8)6-23-15(7)25-16-13(20)12(19)11(18)10(5-17)24-16/h2,6-8,10-13,15-20H,1,3-5H2/t7-,8+,10-,11-,12+,13-,15+,16+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCC[C@H]21,C16H22O9,pos_1_1potassium,358.126382284,VSJGJMKGNMDJCI,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera morrowii,484242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],8,0,8.0 103219,3989,860,Shikimates and Phenylpropanoids,Aromatic polyketides,Griseofulvins,0.4769759,ISDB,ITENTBHADJNDDH-DJTMHQFBSA-N,"InChI=1S/C16H16O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,19,21,24H,6-7H2,(H,22,23)/b4-2-/t11-,12-,14+,16-/m1/s1",O=C(/C=C\C1=CC(=O)C(=O)C=C1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H16O9,,352.079432092,ITENTBHADJNDDH,Shikimates and Phenylpropanoids,,,Cynara cardunculus,991885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],4,1,6.407903552055359 103218,3984,637,Terpenoids,Monoterpenoids,Flavonols,0.0,MS1_match,DWZAJFZEYZIHPO-UHFFFAOYSA-N,"InChI=1S/C18H16O7/c1-22-10-6-4-9(5-7-10)16-18(24-3)15(21)13-12(25-16)8-11(19)17(23-2)14(13)20/h4-8,19-20H,1-3H3",COc1ccc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2OC)cc1,C18H16O7,pos_2_1proton1sodium,344.089602852,DWZAJFZEYZIHPO,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Valeriana laxiflora,844983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana laxiflora'],6,3,7.5 103210,3980,-1,,,,0.35806325,ISDB,KAXRCKJURNMODO-KKTIOXCDSA-N,"InChI=1S/C28H35ClO6/c1-13-14(2)24(31)34-22(13)23-15(3)27(32)10-9-17-16-11-20(29)18-7-6-8-21(30)25(18,4)19(16)12-28(33,35-23)26(17,27)5/h6-8,15-17,19-20,22-23,32-33H,9-12H2,1-5H3/t15-,16+,17+,19+,20+,22-,23+,25+,26+,27+,28-/m1/s1",CC1=C(C)[C@H]([C@H]2O[C@]3(O)C[C@H]4[C@@H](C[C@H](Cl)C5=CC=CC(=O)[C@@]54C)[C@@H]4CC[C@](O)([C@@H]2C)[C@]43C)OC1=O,C28H35ClO6,,502.21221652,KAXRCKJURNMODO,Terpenoids,Steroids,Ergostane steroids,Jaborosa magellanica,5784104.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa magellanica'],4,0,5.432253003120422 103131,3978,467,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.49657667,ISDB,DKGYTSKPMLWLEI-FIZOKRMRSA-N,"InChI=1S/C10H14O4/c1-5-2-3-6-7(9(11)12)4-14-10(13)8(5)6/h4-6,8,10,13H,2-3H2,1H3,(H,11,12)/t5-,6+,8+,10+/m0/s1",C[C@H]1CC[C@@H]2C(C(=O)O)=CO[C@@H](O)[C@@H]21,C10H14O4,,198.089208928,DKGYTSKPMLWLEI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,10.48630666732788 103130,3975,-1,,,,0.39467987,ISDB,PIIYQZUBXQHXDG-AETNBWKLSA-N,"InChI=1S/C31H31NO5/c1-32-24-19-27(36-28(33)18-17-21-11-5-2-6-12-21)29(30(34)22-13-7-3-8-14-22)25(32)20-26(24)37-31(35)23-15-9-4-10-16-23/h2-18,24-27,29-30,34H,19-20H2,1H3/b18-17-/t24-,25-,26-,27+,29+,30+/m0/s1",CN1[C@H]2C[C@H](OC(=O)c3ccccc3)[C@@H]1C[C@@H](OC(=O)/C=C\c1ccccc1)[C@@H]2[C@H](O)c1ccccc1,C31H31NO5,,497.220223092,PIIYQZUBXQHXDG,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Eucarpha deplanchei,307793.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Proteales'],['Proteaceae'],['Unknown'],['Eucarpha'],['Eucarpha deplanchei'],4,0,5.57871949672699 103109,3973,-1,,,,0.0,MS1_match,YTZSBJLNMIQROD-UHFFFAOYSA-N,"InChI=1S/C17H26O11/c1-6-11-7(3-10(19)26-6)8(15(23)24-2)5-25-16(11)28-17-14(22)13(21)12(20)9(4-18)27-17/h5-7,9-14,16-22H,3-4H2,1-2H3",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(C)OC(O)CC12,C17H26O11,pos_1_sodium,406.1475116519998,YTZSBJLNMIQROD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera tatarica var. morrowii,484242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],7,0,7.0 103110,3973,-1,,,,0.0,MS1_match,YTZSBJLNMIQROD-VYDXWPHLSA-N,"InChI=1S/C17H26O11/c1-6-11-7(3-10(19)26-6)8(15(23)24-2)5-25-16(11)28-17-14(22)13(21)12(20)9(4-18)27-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6-,7+,9+,10-,11+,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H](C)O[C@H](O)C[C@H]12,C17H26O11,pos_1_sodium,406.1475116519999,YTZSBJLNMIQROD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera periclymenum,811893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera periclymenum'],7,0,7.0 103111,3973,-1,,,,0.0,MS1_match,YTZSBJLNMIQROD-SFBCHFHNSA-N,"InChI=1S/C17H26O11/c1-6-11-7(3-10(19)26-6)8(15(23)24-2)5-25-16(11)28-17-14(22)13(21)12(20)9(4-18)27-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6-,7+,9+,10+,11+,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H](C)O[C@@H](O)C[C@H]12,C17H26O11,pos_1_sodium,406.1475116519998,YTZSBJLNMIQROD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 103112,3973,-1,,,,0.0,MS1_match,YTZSBJLNMIQROD-UHFFFAOYSA-N,"InChI=1S/C17H26O11/c1-6-11-7(3-10(19)26-6)8(15(23)24-2)5-25-16(11)28-17-14(22)13(21)12(20)9(4-18)27-17/h5-7,9-14,16-22H,3-4H2,1-2H3",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(C)OC(O)CC12,C17H26O11,pos_1_sodium,406.1475116519998,YTZSBJLNMIQROD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera morrowii,484242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],7,0,7.0 103113,3973,-1,,,,0.0,MS1_match,YTZSBJLNMIQROD-UHFFFAOYSA-N,"InChI=1S/C17H26O11/c1-6-11-7(3-10(19)26-6)8(15(23)24-2)5-25-16(11)28-17-14(22)13(21)12(20)9(4-18)27-17/h5-7,9-14,16-22H,3-4H2,1-2H3",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(C)OC(O)CC12,C17H26O11,pos_1_sodium,406.1475116519998,YTZSBJLNMIQROD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera tatarica var. morrowii,484242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],7,0,7.0 103114,3973,-1,,,,0.0,MS1_match,YTZSBJLNMIQROD-RZYLQQLPSA-N,"InChI=1S/C17H26O11/c1-6-11-7(3-10(19)26-6)8(15(23)24-2)5-25-16(11)28-17-14(22)13(21)12(20)9(4-18)27-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6?,7-,9?,10?,11-,12?,13?,14?,16?,17?/m1/s1",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)[C@@H]2C(C)OC(O)C[C@H]12,C17H26O11,pos_1_sodium,406.147511652,YTZSBJLNMIQROD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera alpigena,920868.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera alpigena'],7,0,7.0 103115,3973,-1,,,,0.0,MS1_match,YTZSBJLNMIQROD-SFBCHFHNSA-N,"InChI=1S/C17H26O11/c1-6-11-7(3-10(19)26-6)8(15(23)24-2)5-25-16(11)28-17-14(22)13(21)12(20)9(4-18)27-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6-,7+,9+,10+,11+,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H](C)O[C@@H](O)C[C@H]12,C17H26O11,pos_1_sodium,406.1475116519998,YTZSBJLNMIQROD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 103116,3973,-1,,,,0.0,MS1_match,YTZSBJLNMIQROD-UHFFFAOYSA-N,"InChI=1S/C17H26O11/c1-6-11-7(3-10(19)26-6)8(15(23)24-2)5-25-16(11)28-17-14(22)13(21)12(20)9(4-18)27-17/h5-7,9-14,16-22H,3-4H2,1-2H3",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(C)OC(O)CC12,C17H26O11,pos_1_sodium,406.1475116519998,YTZSBJLNMIQROD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera morrowii,484242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],7,0,7.0 103117,3973,-1,,,,0.0,MS1_match,YTZSBJLNMIQROD-VYDXWPHLSA-N,"InChI=1S/C17H26O11/c1-6-11-7(3-10(19)26-6)8(15(23)24-2)5-25-16(11)28-17-14(22)13(21)12(20)9(4-18)27-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6-,7+,9+,10-,11+,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H](C)O[C@H](O)C[C@H]12,C17H26O11,pos_1_sodium,406.1475116519999,YTZSBJLNMIQROD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera periclymenum,811893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera periclymenum'],7,0,7.0 103118,3973,-1,,,,0.0,MS1_match,YTZSBJLNMIQROD-RZYLQQLPSA-N,"InChI=1S/C17H26O11/c1-6-11-7(3-10(19)26-6)8(15(23)24-2)5-25-16(11)28-17-14(22)13(21)12(20)9(4-18)27-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6?,7-,9?,10?,11-,12?,13?,14?,16?,17?/m1/s1",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)[C@@H]2C(C)OC(O)C[C@H]12,C17H26O11,pos_1_sodium,406.147511652,YTZSBJLNMIQROD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera alpigena,920868.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera alpigena'],7,0,7.0 103119,3973,-1,,,,0.0,MS1_match,YTZSBJLNMIQROD-VYDXWPHLSA-N,"InChI=1S/C17H26O11/c1-6-11-7(3-10(19)26-6)8(15(23)24-2)5-25-16(11)28-17-14(22)13(21)12(20)9(4-18)27-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6-,7+,9+,10-,11+,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H](C)O[C@H](O)C[C@H]12,C17H26O11,pos_1_sodium,406.1475116519999,YTZSBJLNMIQROD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera periclymenum,811893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera periclymenum'],7,0,7.0 103120,3973,-1,,,,0.0,MS1_match,YTZSBJLNMIQROD-SFBCHFHNSA-N,"InChI=1S/C17H26O11/c1-6-11-7(3-10(19)26-6)8(15(23)24-2)5-25-16(11)28-17-14(22)13(21)12(20)9(4-18)27-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6-,7+,9+,10+,11+,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H](C)O[C@@H](O)C[C@H]12,C17H26O11,pos_1_sodium,406.1475116519998,YTZSBJLNMIQROD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 103121,3973,-1,,,,0.0,MS1_match,YTZSBJLNMIQROD-UHFFFAOYSA-N,"InChI=1S/C17H26O11/c1-6-11-7(3-10(19)26-6)8(15(23)24-2)5-25-16(11)28-17-14(22)13(21)12(20)9(4-18)27-17/h5-7,9-14,16-22H,3-4H2,1-2H3",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(C)OC(O)CC12,C17H26O11,pos_1_sodium,406.1475116519998,YTZSBJLNMIQROD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera morrowii,484242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],7,0,7.0 103122,3973,-1,,,,0.0,MS1_match,YTZSBJLNMIQROD-UHFFFAOYSA-N,"InChI=1S/C17H26O11/c1-6-11-7(3-10(19)26-6)8(15(23)24-2)5-25-16(11)28-17-14(22)13(21)12(20)9(4-18)27-17/h5-7,9-14,16-22H,3-4H2,1-2H3",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(C)OC(O)CC12,C17H26O11,pos_1_sodium,406.1475116519998,YTZSBJLNMIQROD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera tatarica var. morrowii,484242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],7,0,7.0 103123,3973,-1,,,,0.0,MS1_match,YTZSBJLNMIQROD-RZYLQQLPSA-N,"InChI=1S/C17H26O11/c1-6-11-7(3-10(19)26-6)8(15(23)24-2)5-25-16(11)28-17-14(22)13(21)12(20)9(4-18)27-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6?,7-,9?,10?,11-,12?,13?,14?,16?,17?/m1/s1",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)[C@@H]2C(C)OC(O)C[C@H]12,C17H26O11,pos_1_sodium,406.147511652,YTZSBJLNMIQROD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera alpigena,920868.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera alpigena'],7,0,7.0 103049,3972,-1,,,,0.62133104,ISDB,DEMKZLAVQYISIA-UHFFFAOYSA-N,"InChI=1S/C21H22O9/c22-9-17-18(25)19(26)20(27)21(30-17)28-12-4-1-10(2-5-12)15-8-14(24)13-6-3-11(23)7-16(13)29-15/h1-7,15,17-23,25-27H,8-9H2",O=C1CC(c2ccc(OC3OC(CO)C(O)C(O)C3O)cc2)Oc2cc(O)ccc21,C21H22O9,,418.126382284,DEMKZLAVQYISIA,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Glycyrrhiza inflata,284049.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Glycyrrhiza'],['Glycyrrhiza inflata'],4,0,6.485324144363403 103050,3972,-1,,,,0.62133104,ISDB,DEMKZLAVQYISIA-ZRWXNEIDSA-N,"InChI=1S/C21H22O9/c22-9-17-18(25)19(26)20(27)21(30-17)28-12-4-1-10(2-5-12)15-8-14(24)13-6-3-11(23)7-16(13)29-15/h1-7,15,17-23,25-27H,8-9H2/t15-,17+,18+,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)Oc2cc(O)ccc21,C21H22O9,,418.12638228399993,DEMKZLAVQYISIA,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Tetradium glabrifolium,164592.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Tetradium'],['Tetradium glabrifolium'],4,0,6.485324144363403 103051,3972,-1,,,,0.62133104,ISDB,DEMKZLAVQYISIA-ZRWXNEIDSA-N,"InChI=1S/C21H22O9/c22-9-17-18(25)19(26)20(27)21(30-17)28-12-4-1-10(2-5-12)15-8-14(24)13-6-3-11(23)7-16(13)29-15/h1-7,15,17-23,25-27H,8-9H2/t15-,17+,18+,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)Oc2cc(O)ccc21,C21H22O9,,418.12638228399993,DEMKZLAVQYISIA,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Artemisia capillaris,361562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia capillaris'],4,0,6.485324144363403 103052,3972,-1,,,,0.62133104,ISDB,DEMKZLAVQYISIA-ZRWXNEIDSA-N,"InChI=1S/C21H22O9/c22-9-17-18(25)19(26)20(27)21(30-17)28-12-4-1-10(2-5-12)15-8-14(24)13-6-3-11(23)7-16(13)29-15/h1-7,15,17-23,25-27H,8-9H2/t15-,17+,18+,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)Oc2cc(O)ccc21,C21H22O9,,418.12638228399993,DEMKZLAVQYISIA,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Portulaca oleracea,883494.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Portulacaceae'],['Unknown'],['Portulaca'],['Portulaca oleracea'],4,0,6.485324144363403 103053,3972,-1,,,,0.62133104,ISDB,DEMKZLAVQYISIA-ZRWXNEIDSA-N,"InChI=1S/C21H22O9/c22-9-17-18(25)19(26)20(27)21(30-17)28-12-4-1-10(2-5-12)15-8-14(24)13-6-3-11(23)7-16(13)29-15/h1-7,15,17-23,25-27H,8-9H2/t15-,17+,18+,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)Oc2cc(O)ccc21,C21H22O9,,418.12638228399993,DEMKZLAVQYISIA,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Glycyrrhiza glabra,554264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Glycyrrhiza'],['Glycyrrhiza glabra'],4,0,6.485324144363403 103054,3972,-1,,,,0.62133104,ISDB,DEMKZLAVQYISIA-ONJCETCRSA-N,"InChI=1S/C21H22O9/c22-9-17-18(25)19(26)20(27)21(30-17)28-12-4-1-10(2-5-12)15-8-14(24)13-6-3-11(23)7-16(13)29-15/h1-7,15,17-23,25-27H,8-9H2/t15-,17-,18-,19+,20-,21-/m1/s1",O=C1C[C@H](c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)Oc2cc(O)ccc21,C21H22O9,,418.1263822839999,DEMKZLAVQYISIA,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Lagochilus leiacanthus,7054108.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Leonureae'],['Lagochilus'],['Lagochilus leiacanthus'],4,0,6.485324144363403 103055,3972,-1,,,,0.62133104,ISDB,DEMKZLAVQYISIA-ZRWXNEIDSA-N,"InChI=1S/C21H22O9/c22-9-17-18(25)19(26)20(27)21(30-17)28-12-4-1-10(2-5-12)15-8-14(24)13-6-3-11(23)7-16(13)29-15/h1-7,15,17-23,25-27H,8-9H2/t15-,17+,18+,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)Oc2cc(O)ccc21,C21H22O9,,418.12638228399993,DEMKZLAVQYISIA,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Glycyrrhiza uralensis,284051.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Glycyrrhiza'],['Glycyrrhiza uralensis'],4,0,6.485324144363403 103056,3972,-1,,,,0.62133104,ISDB,DEMKZLAVQYISIA-UHFFFAOYSA-N,"InChI=1S/C21H22O9/c22-9-17-18(25)19(26)20(27)21(30-17)28-12-4-1-10(2-5-12)15-8-14(24)13-6-3-11(23)7-16(13)29-15/h1-7,15,17-23,25-27H,8-9H2",O=C1CC(c2ccc(OC3OC(CO)C(O)C(O)C3O)cc2)Oc2cc(O)ccc21,C21H22O9,,418.126382284,DEMKZLAVQYISIA,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Glycyrrhiza aspera,786652.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Glycyrrhiza'],['Glycyrrhiza aspera'],4,0,6.485324144363403 103057,3972,-1,,,,0.62133104,ISDB,DEMKZLAVQYISIA-UZQFATADSA-N,"InChI=1S/C21H22O9/c22-9-17-18(25)19(26)20(27)21(30-17)28-12-4-1-10(2-5-12)15-8-14(24)13-6-3-11(23)7-16(13)29-15/h1-7,15,17-23,25-27H,8-9H2/t15?,17-,18-,19+,20-,21-/m1/s1",O=C1CC(c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)Oc2cc(O)ccc21,C21H22O9,,418.1263822839999,DEMKZLAVQYISIA,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Glycyrrhiza,841875.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Glycyrrhiza'],['Unknown'],4,0,6.485324144363403 103058,3972,-1,,,,0.62133104,ISDB,DEMKZLAVQYISIA-ZRWXNEIDSA-N,"InChI=1S/C21H22O9/c22-9-17-18(25)19(26)20(27)21(30-17)28-12-4-1-10(2-5-12)15-8-14(24)13-6-3-11(23)7-16(13)29-15/h1-7,15,17-23,25-27H,8-9H2/t15-,17+,18+,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)Oc2cc(O)ccc21,C21H22O9,,418.12638228399993,DEMKZLAVQYISIA,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Polygonum aviculare,143996.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Polygonaceae'],['Polygoneae'],['Polygonum'],['Polygonum aviculare'],4,0,6.485324144363403 103025,3971,-1,,,,0.0,MS1_match,JNNGEAWILNVFFD-CDJYTOATSA-N,"InChI=1S/C16H24O10/c1-5-8(18)2-6-7(14(22)23)4-24-15(10(5)6)26-16-13(21)12(20)11(19)9(3-17)25-16/h4-6,8-13,15-21H,2-3H2,1H3,(H,22,23)/t5-,6+,8-,9+,10+,11+,12-,13+,15-,16-/m0/s1",C[C@@H]1[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)O)[C@H]2C[C@@H]1O,C16H24O10,pos_1_1potassium,376.1369469679999,JNNGEAWILNVFFD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 103026,3971,-1,,,,0.0,MS1_match,JNNGEAWILNVFFD-CDJYTOATSA-N,"InChI=1S/C16H24O10/c1-5-8(18)2-6-7(14(22)23)4-24-15(10(5)6)26-16-13(21)12(20)11(19)9(3-17)25-16/h4-6,8-13,15-21H,2-3H2,1H3,(H,22,23)/t5-,6+,8-,9+,10+,11+,12-,13+,15-,16-/m0/s1",C[C@@H]1[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)O)[C@H]2C[C@@H]1O,C16H24O10,pos_1_1potassium,376.1369469679999,JNNGEAWILNVFFD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],7,0,7.0 103027,3971,-1,,,,0.0,MS1_match,JNNGEAWILNVFFD-CDJYTOATSA-N,"InChI=1S/C16H24O10/c1-5-8(18)2-6-7(14(22)23)4-24-15(10(5)6)26-16-13(21)12(20)11(19)9(3-17)25-16/h4-6,8-13,15-21H,2-3H2,1H3,(H,22,23)/t5-,6+,8-,9+,10+,11+,12-,13+,15-,16-/m0/s1",C[C@@H]1[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)O)[C@H]2C[C@@H]1O,C16H24O10,pos_1_1potassium,376.1369469679999,JNNGEAWILNVFFD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera periclymenum,811893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera periclymenum'],7,0,7.0 103028,3971,-1,,,,0.0,MS1_match,JNNGEAWILNVFFD-CDJYTOATSA-N,"InChI=1S/C16H24O10/c1-5-8(18)2-6-7(14(22)23)4-24-15(10(5)6)26-16-13(21)12(20)11(19)9(3-17)25-16/h4-6,8-13,15-21H,2-3H2,1H3,(H,22,23)/t5-,6+,8-,9+,10+,11+,12-,13+,15-,16-/m0/s1",C[C@@H]1[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)O)[C@H]2C[C@@H]1O,C16H24O10,pos_1_1potassium,376.1369469679999,JNNGEAWILNVFFD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera periclymenum,811893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera periclymenum'],7,0,7.0 103029,3971,-1,,,,0.0,MS1_match,JNNGEAWILNVFFD-CDJYTOATSA-N,"InChI=1S/C16H24O10/c1-5-8(18)2-6-7(14(22)23)4-24-15(10(5)6)26-16-13(21)12(20)11(19)9(3-17)25-16/h4-6,8-13,15-21H,2-3H2,1H3,(H,22,23)/t5-,6+,8-,9+,10+,11+,12-,13+,15-,16-/m0/s1",C[C@@H]1[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)O)[C@H]2C[C@@H]1O,C16H24O10,pos_1_1potassium,376.1369469679999,JNNGEAWILNVFFD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],7,0,7.0 103030,3971,-1,,,,0.0,MS1_match,JNNGEAWILNVFFD-CDJYTOATSA-N,"InChI=1S/C16H24O10/c1-5-8(18)2-6-7(14(22)23)4-24-15(10(5)6)26-16-13(21)12(20)11(19)9(3-17)25-16/h4-6,8-13,15-21H,2-3H2,1H3,(H,22,23)/t5-,6+,8-,9+,10+,11+,12-,13+,15-,16-/m0/s1",C[C@@H]1[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)O)[C@H]2C[C@@H]1O,C16H24O10,pos_1_1potassium,376.1369469679999,JNNGEAWILNVFFD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 103024,3968,-1,,,,0.0,MS1_match,RMTHFMSBPWQULL-BJLHFBGVSA-N,"InChI=1S/C18H25NO8S/c1-2-8-9-5-12-19(3-4-28-12)16(24)10(9)7-25-17(8)27-18-15(23)14(22)13(21)11(6-20)26-18/h2,7-9,11-15,17-18,20-23H,1,3-6H2/t8-,9+,11-,12+,13-,14+,15-,17+,18+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)N3CCS[C@H]3C[C@H]21,C18H25NO8S,pos_2MNa,415.13008776,RMTHFMSBPWQULL,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera xylosteum,218830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera xylosteum'],8,0,8.0 103023,3965,-1,,,,0.23960963,ISDB,,,,,,,LXFXYUDXDUHBIA,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.958438515663147 102944,3964,88,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.7977219,ISDB,KZNWWOXBZGCGSK-UHFFFAOYSA-N,"InChI=1S/C11H10O3/c1-13-5-9-6-14-7-11-8(4-12)2-3-10(9)11/h2-4,6-7H,5H2,1H3",COCc1cocc2c(C=O)ccc1-2,C11H10O3,,190.06299418,KZNWWOXBZGCGSK,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,0,9.190887689590454 102943,3962,-1,,,,0.0,MS1_match,ZFOZVQLOBQUTQQ-UHFFFAOYSA-N,"InChI=1S/C18H32O7/c1-4-7-10-23-15(19)13-18(22,17(21)25-12-9-6-3)14-16(20)24-11-8-5-2/h22H,4-14H2,1-3H3",CCCCOC(=O)CC(O)(CC(=O)OCCCC)C(=O)OCCCC,C18H32O7,pos_1_1proton1ammonium,360.214803364,ZFOZVQLOBQUTQQ,Fatty acids,Fatty esters,Wax monoesters,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],7,0,7.0 102932,3958,11,Alkaloids,Monoterpenoids,Iridoids monoterpenoids,0.24628887,ISDB,LHKZIVMTXZLOTP-RMKGEEGASA-N,"InChI=1S/C28H34N2O11/c1-3-12-14(8-18-21-15(9-19(29-18)25(35)36)13-6-4-5-7-17(13)30-21)16(26(37)38-2)11-39-27(12)41-28-24(34)23(33)22(32)20(10-31)40-28/h3-7,11-12,14,18-20,22-24,27-34H,1,8-10H2,2H3,(H,35,36)/t12-,14+,18+,19+,20-,22-,23+,24-,27+,28+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1C[C@@H]1N[C@H](C(=O)O)Cc2c1[nH]c1ccccc21,C28H34N2O11,,574.2162599079999,LHKZIVMTXZLOTP,Alkaloids,Tryptophan alkaloids,Carboline alkaloids,Sinoadina racemosa,1089075.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Naucleeae'],['Sinoadina'],['Sinoadina racemosa'],4,1,5.485155463218689 102933,3958,11,Alkaloids,Monoterpenoids,Iridoids monoterpenoids,0.24628887,ISDB,LHKZIVMTXZLOTP-LQDMBTRHSA-N,"InChI=1S/C28H34N2O11/c1-3-12-14(8-18-21-15(9-19(29-18)25(35)36)13-6-4-5-7-17(13)30-21)16(26(37)38-2)11-39-27(12)41-28-24(34)23(33)22(32)20(10-31)40-28/h3-7,11-12,14,18-20,22-24,27-34H,1,8-10H2,2H3,(H,35,36)/t12-,14-,18-,19-,20+,22+,23-,24+,27-,28-/m0/s1",C=C[C@@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1C[C@@H]1N[C@H](C(=O)O)Cc2c1[nH]c1ccccc21,C28H34N2O11,,574.216259908,LHKZIVMTXZLOTP,Alkaloids,Tryptophan alkaloids,Carboline alkaloids,Uncaria tomentosa,204985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Naucleeae'],['Uncaria'],['Uncaria tomentosa'],4,1,5.485155463218689 102934,3958,11,Alkaloids,Monoterpenoids,Iridoids monoterpenoids,0.24628887,ISDB,LHKZIVMTXZLOTP-BZAIPKEHSA-N,"InChI=1S/C28H34N2O11/c1-3-12-14(8-18-21-15(9-19(29-18)25(35)36)13-6-4-5-7-17(13)30-21)16(26(37)38-2)11-39-27(12)41-28-24(34)23(33)22(32)20(10-31)40-28/h3-7,11-12,14,18-20,22-24,27-34H,1,8-10H2,2H3,(H,35,36)/t12-,14-,18-,19+,20-,22-,23+,24-,27+,28+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@@H]1C[C@H]1N[C@H](C(=O)O)Cc2c1[nH]c1ccccc21,C28H34N2O11,,574.216259908,LHKZIVMTXZLOTP,Alkaloids,Tryptophan alkaloids,Carboline alkaloids,Psychotria bahiensis,180165.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Psychotrieae'],['Psychotria'],['Psychotria bahiensis'],4,1,5.485155463218689 102935,3958,11,Alkaloids,Monoterpenoids,Iridoids monoterpenoids,0.24628887,ISDB,LHKZIVMTXZLOTP-UHFFFAOYSA-N,"InChI=1S/C28H34N2O11/c1-3-12-14(8-18-21-15(9-19(29-18)25(35)36)13-6-4-5-7-17(13)30-21)16(26(37)38-2)11-39-27(12)41-28-24(34)23(33)22(32)20(10-31)40-28/h3-7,11-12,14,18-20,22-24,27-34H,1,8-10H2,2H3,(H,35,36)",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC1NC(C(=O)O)Cc2c1[nH]c1ccccc21,C28H34N2O11,,574.216259908,LHKZIVMTXZLOTP,Alkaloids,Tryptophan alkaloids,Carboline alkaloids,Simira tinctoria,658663.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Condamineeae'],['Simira'],['Simira tinctoria'],4,1,5.485155463218689 102936,3958,11,Alkaloids,Monoterpenoids,Iridoids monoterpenoids,0.24628887,ISDB,LHKZIVMTXZLOTP-AZAOCEFRSA-N,"InChI=1S/C28H34N2O11/c1-3-12-14(8-18-21-15(9-19(29-18)25(35)36)13-6-4-5-7-17(13)30-21)16(26(37)38-2)11-39-27(12)41-28-24(34)23(33)22(32)20(10-31)40-28/h3-7,11-12,14,18-20,22-24,27-34H,1,8-10H2,2H3,(H,35,36)/t12-,14+,18+,19+,20+,22+,23-,24+,27+,28-/m1/s1",C=C[C@H]1[C@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)OC=C(C(=O)OC)[C@H]1C[C@@H]1N[C@H](C(=O)O)Cc2c1[nH]c1ccccc21,C28H34N2O11,,574.2162599079999,LHKZIVMTXZLOTP,Alkaloids,Tryptophan alkaloids,Carboline alkaloids,Simira rubescens,389648.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Condamineeae'],['Simira'],['Simira rubescens'],4,1,5.485155463218689 102937,3958,11,Alkaloids,Monoterpenoids,Iridoids monoterpenoids,0.24628887,ISDB,LHKZIVMTXZLOTP-BUZHDDSHSA-N,"InChI=1S/C28H34N2O11/c1-3-12-14(8-18-21-15(9-19(29-18)25(35)36)13-6-4-5-7-17(13)30-21)16(26(37)38-2)11-39-27(12)41-28-24(34)23(33)22(32)20(10-31)40-28/h3-7,11-12,14,18-20,22-24,27-34H,1,8-10H2,2H3,(H,35,36)/t12-,14+,18+,19-,20+,22+,23-,24+,27+,28-/m1/s1",C=C[C@H]1[C@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)OC=C(C(=O)OC)[C@H]1C[C@@H]1N[C@@H](C(=O)O)Cc2c1[nH]c1ccccc21,C28H34N2O11,,574.216259908,LHKZIVMTXZLOTP,Alkaloids,Tryptophan alkaloids,Carboline alkaloids,Chimarrhis turbinata,327026.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Condamineeae'],['Chimarrhis'],['Chimarrhis turbinata'],4,1,5.485155463218689 102938,3958,11,Alkaloids,Monoterpenoids,Iridoids monoterpenoids,0.24628887,ISDB,LHKZIVMTXZLOTP-AZAOCEFRSA-N,"InChI=1S/C28H34N2O11/c1-3-12-14(8-18-21-15(9-19(29-18)25(35)36)13-6-4-5-7-17(13)30-21)16(26(37)38-2)11-39-27(12)41-28-24(34)23(33)22(32)20(10-31)40-28/h3-7,11-12,14,18-20,22-24,27-34H,1,8-10H2,2H3,(H,35,36)/t12-,14+,18+,19+,20+,22+,23-,24+,27+,28-/m1/s1",C=C[C@H]1[C@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)OC=C(C(=O)OC)[C@H]1C[C@@H]1N[C@H](C(=O)O)Cc2c1[nH]c1ccccc21,C28H34N2O11,,574.2162599079999,LHKZIVMTXZLOTP,Alkaloids,Tryptophan alkaloids,Carboline alkaloids,Stenostomum acreanum,155313.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Guettardeae'],['Stenostomum'],['Stenostomum acreanum'],4,1,5.485155463218689 102939,3958,11,Alkaloids,Monoterpenoids,Iridoids monoterpenoids,0.24628887,ISDB,LHKZIVMTXZLOTP-UHFFFAOYSA-N,"InChI=1S/C28H34N2O11/c1-3-12-14(8-18-21-15(9-19(29-18)25(35)36)13-6-4-5-7-17(13)30-21)16(26(37)38-2)11-39-27(12)41-28-24(34)23(33)22(32)20(10-31)40-28/h3-7,11-12,14,18-20,22-24,27-34H,1,8-10H2,2H3,(H,35,36)",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC1NC(C(=O)O)Cc2c1[nH]c1ccccc21,C28H34N2O11,,574.216259908,LHKZIVMTXZLOTP,Alkaloids,Tryptophan alkaloids,Carboline alkaloids,Rhazya stricta,618442.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Amsonieae'],['Rhazya'],['Rhazya stricta'],4,1,5.485155463218689 102940,3958,11,Alkaloids,Monoterpenoids,Iridoids monoterpenoids,0.24628887,ISDB,LHKZIVMTXZLOTP-BZAIPKEHSA-N,"InChI=1S/C28H34N2O11/c1-3-12-14(8-18-21-15(9-19(29-18)25(35)36)13-6-4-5-7-17(13)30-21)16(26(37)38-2)11-39-27(12)41-28-24(34)23(33)22(32)20(10-31)40-28/h3-7,11-12,14,18-20,22-24,27-34H,1,8-10H2,2H3,(H,35,36)/t12-,14-,18-,19+,20-,22-,23+,24-,27+,28+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@@H]1C[C@H]1N[C@H](C(=O)O)Cc2c1[nH]c1ccccc21,C28H34N2O11,,574.216259908,LHKZIVMTXZLOTP,Alkaloids,Tryptophan alkaloids,Carboline alkaloids,Amsonia orientalis,15769.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Amsonieae'],['Amsonia'],['Amsonia orientalis'],4,1,5.485155463218689 102927,3957,145,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.27931505,ISDB,JNSPPTHCEKIBMW-UHFFFAOYSA-N,"InChI=1S/C16H13NO3/c1-20-15-13(10-6-3-2-4-7-10)11-8-5-9-12(18)14(11)17-16(15)19/h2-9,18H,1H3,(H,17,19)",COc1c(O)nc2c(O)cccc2c1-c1ccccc1,C16H13NO3,,267.089543276,JNSPPTHCEKIBMW,Alkaloids,,,Aspergillus versicolor,534823.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Aspergillus'],['Aspergillus versicolor'],1,1,2.617260217666626 102924,3956,-1,,,,0.0,MS1_match,FJKROLUGYXJWQN-UHFFFAOYSA-N,"InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)",O=C(O)c1ccc(O)cc1,C7H6O3,pos_2MNa,138.031694052,FJKROLUGYXJWQN,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Lonicera microphylla,980075.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera microphylla'],7,0,7.0 102904,3955,62,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.6377615,ISDB,KVRQQFBSAHPTAB-ATLLRHMBSA-N,"InChI=1S/C11H18O9/c1-4(5(14)2-12)10(18)20-11-9(17)8(16)7(15)6(3-13)19-11/h5-9,11-17H,1-3H2/t5-,6-,7-,8+,9-,11+/m1/s1",C=C(C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)CO,C11H18O9,,294.095082156,KVRQQFBSAHPTAB,Fatty acids,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,Tulipa gesneriana,878707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Liliales'],['Liliaceae'],['Unknown'],['Tulipa'],['Tulipa gesneriana'],4,0,6.551045894622803 102896,3952,58,Polyketides,Glycerolipids,Glycosyldiacylglycerols,0.29602873,ISDB,QIVLWPIJESKEMW-JHJDZIRVSA-N,"InChI=1S/C37H60O5/c1-25(17-23-41-27(3)38)12-14-29-26(2)13-15-30-35(29,7)19-11-20-36(30,8)32(39)42-37(9)21-10-18-34(6)22-16-28(24-31(34)37)33(4,5)40/h17,28-31,40H,2,10-16,18-24H2,1,3-9H3/b25-17+/t28-,29+,30-,31-,34-,35-,36+,37-/m1/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O[C@]2(C)CCC[C@]3(C)CC[C@@H](C(C)(C)O)C[C@H]32)[C@H]1CC/C(C)=C/COC(C)=O,C37H60O5,,584.4440750199999,QIVLWPIJESKEMW,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinalia japonica,3979206.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Podochileae'],['Conchidium'],['Conchidium japonicum'],4,0,5.184114933013916 102897,3952,58,Polyketides,Glycerolipids,Glycosyldiacylglycerols,0.29602873,ISDB,QIVLWPIJESKEMW-JHJDZIRVSA-N,"InChI=1S/C37H60O5/c1-25(17-23-41-27(3)38)12-14-29-26(2)13-15-30-35(29,7)19-11-20-36(30,8)32(39)42-37(9)21-10-18-34(6)22-16-28(24-31(34)37)33(4,5)40/h17,28-31,40H,2,10-16,18-24H2,1,3-9H3/b25-17+/t28-,29+,30-,31-,34-,35-,36+,37-/m1/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O[C@]2(C)CCC[C@]3(C)CC[C@@H](C(C)(C)O)C[C@H]32)[C@H]1CC/C(C)=C/COC(C)=O,C37H60O5,,584.4440750199999,QIVLWPIJESKEMW,Terpenoids,Diterpenoids,Labdane diterpenoids,Conchidium japonicum,3979206.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Podochileae'],['Conchidium'],['Conchidium japonicum'],4,0,5.184114933013916 102893,3951,11,Alkaloids,Monoterpenoids,Iridoids monoterpenoids,0.40575036,ISDB,OSEDKWKVFUDTBD-FMQYXTRESA-N,"InChI=1S/C23H19N5O5/c29-10-16-21(32)28-14-8-4-2-6-12(14)23(33)9-15-19(30)25-18(27(16)22(23)28)17-24-13-7-3-1-5-11(13)20(31)26(15)17/h1-8,15-16,18,22,29,33H,9-10H2,(H,25,30)/t15-,16-,18-,22+,23-/m0/s1",O=C1N[C@@H]2c3nc4ccccc4c(=O)n3[C@H]1C[C@]1(O)c3ccccc3N3C(=O)[C@H](CO)N2[C@H]31,C23H19N5O5,,445.138618708,OSEDKWKVFUDTBD,Alkaloids,Anthranilic acid alkaloids,Quinazoline alkaloids,Aspergillus versicolor,534823.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Aspergillus'],['Aspergillus versicolor'],1,1,3.123001456260681 102863,3950,167,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.86381984,ISDB,ADSYMQORONDIDD-TUYKCJADSA-N,"InChI=1S/C22H24O11/c1-30-14-3-2-9(4-11(14)24)15-7-13(26)18-12(25)5-10(6-16(18)32-15)31-22-21(29)20(28)19(27)17(8-23)33-22/h2-6,15,17,19-25,27-29H,7-8H2,1H3/t15-,17-,19-,20+,21-,22-/m1/s1",COc1ccc([C@H]2CC(=O)c3c(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3O2)cc1O,C22H24O11,,464.1318615879999,ADSYMQORONDIDD,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Citrus reticulata,37136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Citrus'],['Citrus reticulata'],4,3,8.955279350280762 102864,3950,167,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.86381984,ISDB,ADSYMQORONDIDD-TUYKCJADSA-N,"InChI=1S/C22H24O11/c1-30-14-3-2-9(4-11(14)24)15-7-13(26)18-12(25)5-10(6-16(18)32-15)31-22-21(29)20(28)19(27)17(8-23)33-22/h2-6,15,17,19-25,27-29H,7-8H2,1H3/t15-,17-,19-,20+,21-,22-/m1/s1",COc1ccc([C@H]2CC(=O)c3c(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3O2)cc1O,C22H24O11,,464.1318615879999,ADSYMQORONDIDD,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Citrus deliciosa,83847.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Citrus'],['Citrus deliciosa'],4,3,8.955279350280762 102865,3950,167,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.86381984,ISDB,ADSYMQORONDIDD-ZJHVPRRPSA-N,"InChI=1S/C22H24O11/c1-30-14-3-2-9(4-11(14)24)15-7-13(26)18-12(25)5-10(6-16(18)32-15)31-22-21(29)20(28)19(27)17(8-23)33-22/h2-6,15,17,19-25,27-29H,7-8H2,1H3/t15-,17+,19+,20-,21+,22+/m0/s1",COc1ccc([C@@H]2CC(=O)c3c(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3O2)cc1O,C22H24O11,,464.131861588,ADSYMQORONDIDD,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Cunila,1097484.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Cunila'],['Unknown'],4,3,8.955279350280762 102866,3950,167,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.86381984,ISDB,ADSYMQORONDIDD-UHFFFAOYSA-N,"InChI=1S/C22H24O11/c1-30-14-3-2-9(4-11(14)24)15-7-13(26)18-12(25)5-10(6-16(18)32-15)31-22-21(29)20(28)19(27)17(8-23)33-22/h2-6,15,17,19-25,27-29H,7-8H2,1H3",COc1ccc(C2CC(=O)c3c(O)cc(OC4OC(CO)C(O)C(O)C4O)cc3O2)cc1O,C22H24O11,,464.131861588,ADSYMQORONDIDD,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Buddleja parviflora,790830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Scrophulariaceae'],['Buddlejeae'],['Buddleja'],['Buddleja parviflora'],4,3,8.955279350280762 102858,3949,-1,,,,0.0,MS1_match,DRAPQDCEBKBPQE-ACFZRETJSA-N,"InChI=1S/C26H32O12/c1-33-17-7-12(3-5-15(17)28)23-14-10-35-24(13-4-6-16(29)18(8-13)34-2)26(14,11-36-23)38-25-22(32)21(31)20(30)19(9-27)37-25/h3-8,14,19-25,27-32H,9-11H2,1-2H3/t14-,19-,20-,21+,22-,23-,24-,25+,26-/m1/s1",COc1cc([C@H]2OC[C@]3(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](c4ccc(O)c(OC)c4)OC[C@H]23)ccc1O,C26H32O12,pos_2_2sodium,536.1893764639999,DRAPQDCEBKBPQE,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 102859,3949,-1,,,,0.0,MS1_match,ORRYWOBRSQRASU-UHFFFAOYSA-N,"InChI=1S/C26H32O12/c1-33-17-7-12(3-5-15(17)28)23-14-10-35-24(26(14,32)11-36-23)13-4-6-16(18(8-13)34-2)37-25-22(31)21(30)20(29)19(9-27)38-25/h3-8,14,19-25,27-32H,9-11H2,1-2H3",COc1cc(C2OCC3(O)C(c4ccc(OC5OC(CO)C(O)C(O)C5O)c(OC)c4)OCC23)ccc1O,C26H32O12,pos_2_2sodium,536.189376464,ORRYWOBRSQRASU,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 102860,3949,-1,,,,0.0,MS1_match,ORRYWOBRSQRASU-UHFFFAOYSA-N,"InChI=1S/C26H32O12/c1-33-17-7-12(3-5-15(17)28)23-14-10-35-24(26(14,32)11-36-23)13-4-6-16(18(8-13)34-2)37-25-22(31)21(30)20(29)19(9-27)38-25/h3-8,14,19-25,27-32H,9-11H2,1-2H3",COc1cc(C2OCC3(O)C(c4ccc(OC5OC(CO)C(O)C(O)C5O)c(OC)c4)OCC23)ccc1O,C26H32O12,pos_2_2sodium,536.189376464,ORRYWOBRSQRASU,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 102861,3949,-1,,,,0.0,MS1_match,GQLQVPZSTWXDBQ-ZOKOZUFBSA-N,"InChI=1S/C26H32O12/c1-33-17-8-13(3-5-15(17)28)24-26(32)11-36-23(14(26)10-35-24)12-4-6-16(18(7-12)34-2)37-25-22(31)21(30)20(29)19(9-27)38-25/h3-8,14,19-25,27-32H,9-11H2,1-2H3/t14-,19-,20-,21+,22-,23-,24-,25-,26-/m1/s1",COc1cc([C@H]2OC[C@@H]3[C@@H](c4ccc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)c(OC)c4)OC[C@]23O)ccc1O,C26H32O12,pos_2_2sodium,536.1893764639998,GQLQVPZSTWXDBQ,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Valeriana prionophylla,526653.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana prionophylla'],6,0,6.0 102862,3949,-1,,,,0.0,MS1_match,KPZWNZOLVDRTMM-YRDWWIAGSA-N,"InChI=1S/C26H32O12/c1-33-18-8-13(3-5-16(18)28)23-26(32)11-36-22(15(26)10-35-23)12-4-6-17(19(7-12)34-2)37-25-14(9-27)20(29)21(30)24(31)38-25/h3-8,14-15,20-25,27-32H,9-11H2,1-2H3/t14-,15-,20-,21+,22-,23-,24+,25+,26-/m1/s1",COc1cc([C@H]2OC[C@@H]3[C@@H](c4ccc(O[C@H]5O[C@H](O)[C@@H](O)[C@H](O)[C@H]5CO)c(OC)c4)OC[C@]23O)ccc1O,C26H32O12,pos_2_2sodium,536.189376464,KPZWNZOLVDRTMM,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Valeriana prionophylla,526653.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana prionophylla'],6,0,6.0 102834,3946,-1,,,,0.0,MS1_match,JNNGEAWILNVFFD-CDJYTOATSA-N,"InChI=1S/C16H24O10/c1-5-8(18)2-6-7(14(22)23)4-24-15(10(5)6)26-16-13(21)12(20)11(19)9(3-17)25-16/h4-6,8-13,15-21H,2-3H2,1H3,(H,22,23)/t5-,6+,8-,9+,10+,11+,12-,13+,15-,16-/m0/s1",C[C@@H]1[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)O)[C@H]2C[C@@H]1O,C16H24O10,pos_1_1potassium,376.1369469679999,JNNGEAWILNVFFD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera periclymenum,811893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera periclymenum'],8,0,8.0 102835,3946,-1,,,,0.0,MS1_match,JNNGEAWILNVFFD-CDJYTOATSA-N,"InChI=1S/C16H24O10/c1-5-8(18)2-6-7(14(22)23)4-24-15(10(5)6)26-16-13(21)12(20)11(19)9(3-17)25-16/h4-6,8-13,15-21H,2-3H2,1H3,(H,22,23)/t5-,6+,8-,9+,10+,11+,12-,13+,15-,16-/m0/s1",C[C@@H]1[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)O)[C@H]2C[C@@H]1O,C16H24O10,pos_1_1potassium,376.1369469679999,JNNGEAWILNVFFD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera periclymenum,811893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera periclymenum'],8,0,8.0 102832,3944,1737,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,MWLKXILGJPSPKZ-LWSBBEHMSA-N,"InChI=1S/C34H46O19/c1-5-15-17(18(29(44)46-3)12-48-31(15)52-33-27(42)25(40)23(38)20(10-36)50-33)8-7-14(9-35)22-16(6-2)32(49-13-19(22)30(45)47-4)53-34-28(43)26(41)24(39)21(11-37)51-34/h5-7,9,12-13,15-17,20-28,31-34,36-43H,1-2,8,10-11H2,3-4H3/b14-7+/t15-,16-,17+,20-,21-,22+,23-,24-,25+,26+,27-,28-,31+,32+,33+,34+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1C/C=C(\C=O)[C@@H]1C(C(=O)OC)=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1C=C,C34H46O19,pos_1_1proton1ammonium,758.263329252,MWLKXILGJPSPKZ,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 102833,3944,1737,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,MWLKXILGJPSPKZ-UHFFFAOYSA-N,"InChI=1S/C34H46O19/c1-5-15-17(18(29(44)46-3)12-48-31(15)52-33-27(42)25(40)23(38)20(10-36)50-33)8-7-14(9-35)22-16(6-2)32(49-13-19(22)30(45)47-4)53-34-28(43)26(41)24(39)21(11-37)51-34/h5-7,9,12-13,15-17,20-28,31-34,36-43H,1-2,8,10-11H2,3-4H3",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC=C(C=O)C1C(C(=O)OC)=COC(OC2OC(CO)C(O)C(O)C2O)C1C=C,C34H46O19,pos_1_1proton1ammonium,758.263329252,MWLKXILGJPSPKZ,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera,649885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Unknown'],7,3,8.5 102824,3943,173,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.5366455,ISDB,RNAOSOMTAGOVSH-MOYBBJLCSA-N,"InChI=1S/C17H24O9/c1-8-3-11(19)10-4-17(8,24-7-9(10)6-23-2)26-16-15(22)14(21)13(20)12(5-18)25-16/h3,7,10,12-16,18,20-22H,4-6H2,1-2H3/t10-,12-,13-,14+,15-,16+,17+/m1/s1",COCC1=CO[C@]2(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C[C@H]1C(=O)C=C2C,C17H24O9,,372.1420323479999,RNAOSOMTAGOVSH,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Paeonia lactiflora,352877.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Paeoniaceae'],['Unknown'],['Paeonia'],['Paeonia lactiflora'],4,3,7.6465818881988525 102799,3940,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,JNNGEAWILNVFFD-CDJYTOATSA-N,"InChI=1S/C16H24O10/c1-5-8(18)2-6-7(14(22)23)4-24-15(10(5)6)26-16-13(21)12(20)11(19)9(3-17)25-16/h4-6,8-13,15-21H,2-3H2,1H3,(H,22,23)/t5-,6+,8-,9+,10+,11+,12-,13+,15-,16-/m0/s1",C[C@@H]1[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)O)[C@H]2C[C@@H]1O,C16H24O10,pos_1_sodium,376.1369469679999,JNNGEAWILNVFFD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],8,2,9.0 102800,3940,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,JNNGEAWILNVFFD-CDJYTOATSA-N,"InChI=1S/C16H24O10/c1-5-8(18)2-6-7(14(22)23)4-24-15(10(5)6)26-16-13(21)12(20)11(19)9(3-17)25-16/h4-6,8-13,15-21H,2-3H2,1H3,(H,22,23)/t5-,6+,8-,9+,10+,11+,12-,13+,15-,16-/m0/s1",C[C@@H]1[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)O)[C@H]2C[C@@H]1O,C16H24O10,pos_1_sodium,376.1369469679999,JNNGEAWILNVFFD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera periclymenum,811893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera periclymenum'],8,2,9.0 102801,3940,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,JNNGEAWILNVFFD-CDJYTOATSA-N,"InChI=1S/C16H24O10/c1-5-8(18)2-6-7(14(22)23)4-24-15(10(5)6)26-16-13(21)12(20)11(19)9(3-17)25-16/h4-6,8-13,15-21H,2-3H2,1H3,(H,22,23)/t5-,6+,8-,9+,10+,11+,12-,13+,15-,16-/m0/s1",C[C@@H]1[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)O)[C@H]2C[C@@H]1O,C16H24O10,pos_1_sodium,376.1369469679999,JNNGEAWILNVFFD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera periclymenum,811893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera periclymenum'],8,2,9.0 102802,3940,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,JNNGEAWILNVFFD-CDJYTOATSA-N,"InChI=1S/C16H24O10/c1-5-8(18)2-6-7(14(22)23)4-24-15(10(5)6)26-16-13(21)12(20)11(19)9(3-17)25-16/h4-6,8-13,15-21H,2-3H2,1H3,(H,22,23)/t5-,6+,8-,9+,10+,11+,12-,13+,15-,16-/m0/s1",C[C@@H]1[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)O)[C@H]2C[C@@H]1O,C16H24O10,pos_1_sodium,376.1369469679999,JNNGEAWILNVFFD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],8,2,9.0 102798,3938,-1,,,,0.0,MS1_match,RMTHFMSBPWQULL-BJLHFBGVSA-N,"InChI=1S/C18H25NO8S/c1-2-8-9-5-12-19(3-4-28-12)16(24)10(9)7-25-17(8)27-18-15(23)14(22)13(21)11(6-20)26-18/h2,7-9,11-15,17-18,20-23H,1,3-6H2/t8-,9+,11-,12+,13-,14+,15-,17+,18+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)N3CCS[C@H]3C[C@H]21,C18H25NO8S,pos_1_sodium,415.13008776,RMTHFMSBPWQULL,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera xylosteum,218830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera xylosteum'],8,0,8.0 102797,3937,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.21165591,ISDB,OECUDTNQFAWZDD-IKDXMHNJSA-N,"InChI=1S/C23H30O6/c1-12(11-21(5)20-22(6,29-20)15(4)27-21)9-13(2)18-23(7,28-18)19-14(3)16(25-8)10-17(24)26-19/h9-11,15,18,20H,1-8H3/b12-11+,13-9+/t15-,18-,20+,21+,22-,23+/m1/s1",COc1cc(=O)oc([C@@]2(C)O[C@@H]2/C(C)=C/C(C)=C/[C@]2(C)O[C@H](C)[C@@]3(C)O[C@H]32)c1C,C23H30O6,,402.2042386799999,OECUDTNQFAWZDD,Polyketides,Cyclic polyketides,,Penicillium aurantiogriseum,220634.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Penicillium'],['Penicillium aurantiogriseum'],1,0,1.8466236591339111 102759,3935,86,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,VSJGJMKGNMDJCI-ZASXJUAOSA-N,"InChI=1S/C16H22O9/c1-2-7-8-3-4-22-14(21)9(8)6-23-15(7)25-16-13(20)12(19)11(18)10(5-17)24-16/h2,6-8,10-13,15-20H,1,3-5H2/t7-,8+,10-,11-,12+,13-,15+,16+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCC[C@H]21,C16H22O9,pos_2MHNH3,358.126382284,VSJGJMKGNMDJCI,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera morrowii,484242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],8,3,9.5 102760,3935,86,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,VSJGJMKGNMDJCI-ZASXJUAOSA-N,"InChI=1S/C16H22O9/c1-2-7-8-3-4-22-14(21)9(8)6-23-15(7)25-16-13(20)12(19)11(18)10(5-17)24-16/h2,6-8,10-13,15-20H,1,3-5H2/t7-,8+,10-,11-,12+,13-,15+,16+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCC[C@H]21,C16H22O9,pos_2MHNH3,358.126382284,VSJGJMKGNMDJCI,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera morrowii,484242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],8,3,9.5 102751,3932,86,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.40095285,ISDB,XOGGREZGCFWEBP-KHYBMMPHSA-N,"InChI=1S/C25H28O12/c1-2-13-14-7-8-33-23(32)15(14)11-34-24(13)37-25-21(31)22(20(30)18(10-26)35-25)36-19(29)6-4-12-3-5-16(27)17(28)9-12/h2-6,9,11,13-14,18,20-22,24-28,30-31H,1,7-8,10H2/b6-4+/t13-,14+,18-,20-,21-,22+,24+,25+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](OC(=O)/C=C/c3ccc(O)c(O)c3)[C@H]2O)OC=C2C(=O)OCC[C@H]21,C25H28O12,,520.158076336,XOGGREZGCFWEBP,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Neolamarckia cadamba,919146.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Naucleeae'],['Neolamarckia'],['Neolamarckia cadamba'],4,3,7.1038113832473755 102752,3932,86,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.40095285,ISDB,XOGGREZGCFWEBP-KHYBMMPHSA-N,"InChI=1S/C25H28O12/c1-2-13-14-7-8-33-23(32)15(14)11-34-24(13)37-25-21(31)22(20(30)18(10-26)35-25)36-19(29)6-4-12-3-5-16(27)17(28)9-12/h2-6,9,11,13-14,18,20-22,24-28,30-31H,1,7-8,10H2/b6-4+/t13-,14+,18-,20-,21-,22+,24+,25+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](OC(=O)/C=C/c3ccc(O)c(O)c3)[C@H]2O)OC=C2C(=O)OCC[C@H]21,C25H28O12,,520.158076336,XOGGREZGCFWEBP,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Neonauclea purpurea,966697.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Naucleeae'],['Breonia'],['Breonia chinensis'],4,3,7.1038113832473755 102753,3932,86,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.40095285,ISDB,XOGGREZGCFWEBP-UHFFFAOYSA-N,"InChI=1S/C25H28O12/c1-2-13-14-7-8-33-23(32)15(14)11-34-24(13)37-25-21(31)22(20(30)18(10-26)35-25)36-19(29)6-4-12-3-5-16(27)17(28)9-12/h2-6,9,11,13-14,18,20-22,24-28,30-31H,1,7-8,10H2",C=CC1C(OC2OC(CO)C(O)C(OC(=O)C=Cc3ccc(O)c(O)c3)C2O)OC=C2C(=O)OCCC21,C25H28O12,,520.158076336,XOGGREZGCFWEBP,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Breonia chinensis,966697.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Naucleeae'],['Breonia'],['Breonia chinensis'],4,3,7.1038113832473755 102713,3929,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,VSJGJMKGNMDJCI-ZASXJUAOSA-N,"InChI=1S/C16H22O9/c1-2-7-8-3-4-22-14(21)9(8)6-23-15(7)25-16-13(20)12(19)11(18)10(5-17)24-16/h2,6-8,10-13,15-20H,1,3-5H2/t7-,8+,10-,11-,12+,13-,15+,16+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCC[C@H]21,C16H22O9,pos_2MNa,358.126382284,VSJGJMKGNMDJCI,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera morrowii,484242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],8,3,9.5 102714,3929,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,VSJGJMKGNMDJCI-ZASXJUAOSA-N,"InChI=1S/C16H22O9/c1-2-7-8-3-4-22-14(21)9(8)6-23-15(7)25-16-13(20)12(19)11(18)10(5-17)24-16/h2,6-8,10-13,15-20H,1,3-5H2/t7-,8+,10-,11-,12+,13-,15+,16+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCC[C@H]21,C16H22O9,pos_2MNa,358.126382284,VSJGJMKGNMDJCI,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera morrowii,484242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],8,3,9.5 102697,3928,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.8319273,ISDB,OIIJXQMSEYQDDI-UHFFFAOYSA-N,"InChI=1S/C13H18/c1-9-7-8-11(3)13-10(2)5-4-6-12(9)13/h7-8,10H,4-6H2,1-3H3",Cc1ccc(C)c2c1CCCC2C,C13H18,,174.140850576,OIIJXQMSEYQDDI,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],4,3,8.827709197998047 102673,3927,173,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,JNNGEAWILNVFFD-CDJYTOATSA-N,"InChI=1S/C16H24O10/c1-5-8(18)2-6-7(14(22)23)4-24-15(10(5)6)26-16-13(21)12(20)11(19)9(3-17)25-16/h4-6,8-13,15-21H,2-3H2,1H3,(H,22,23)/t5-,6+,8-,9+,10+,11+,12-,13+,15-,16-/m0/s1",C[C@@H]1[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)O)[C@H]2C[C@@H]1O,C16H24O10,pos_2MHNH3,376.1369469679999,JNNGEAWILNVFFD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],8,3,9.5 102674,3927,173,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,JNNGEAWILNVFFD-CDJYTOATSA-N,"InChI=1S/C16H24O10/c1-5-8(18)2-6-7(14(22)23)4-24-15(10(5)6)26-16-13(21)12(20)11(19)9(3-17)25-16/h4-6,8-13,15-21H,2-3H2,1H3,(H,22,23)/t5-,6+,8-,9+,10+,11+,12-,13+,15-,16-/m0/s1",C[C@@H]1[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)O)[C@H]2C[C@@H]1O,C16H24O10,pos_2MHNH3,376.1369469679999,JNNGEAWILNVFFD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],8,3,9.5 102661,3926,487,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.61106426,ISDB,QWMQZQPAPQHIFD-NYMRDAGRSA-N,"InChI=1S/C31H38O16/c1-14-23(38)25(40)26(41)30(43-14)47-28-27(46-22(37)9-7-16-6-8-18(34)20(36)12-16)21(13-32)45-31(29(28)44-15(2)33)42-11-10-17-4-3-5-19(35)24(17)39/h3-9,12,14,21,23,25-32,34-36,38-41H,10-11,13H2,1-2H3/b9-7+/t14-,21+,23-,25+,26+,27+,28-,29+,30-,31+/m0/s1",CC(=O)O[C@H]1[C@H](OCCc2cccc(O)c2O)O[C@H](CO)[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O,C31H38O16,,666.215985136,QWMQZQPAPQHIFD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Rehmannia glutinosa,164453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Orobanchaceae'],['Unknown'],['Rehmannia'],['Rehmannia glutinosa'],4,3,7.944257020950317 102659,3925,422,Terpenoids,Phenylpropanoids (C6-C3),Camphane monoterpenoids,0.0,MS1_match,AOHQEWBMTRLCSX-UHFFFAOYSA-N,"InChI=1S/C16H28O7/c1-15(2)7-4-10(16(15,3)5-8(7)18)23-14-13(21)12(20)11(19)9(6-17)22-14/h7-14,17-21H,4-6H2,1-3H3",CC1(C)C2CC(OC3OC(CO)C(O)C(O)C3O)C1(C)CC2O,C16H28O7,pos_1_sodium,332.1835032359999,AOHQEWBMTRLCSX,Terpenoids,Monoterpenoids,Camphane monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,3,7.5 102660,3925,422,Terpenoids,Phenylpropanoids (C6-C3),Camphane monoterpenoids,0.0,MS1_match,OCDWKDASQKOTIQ-UHFFFAOYSA-N,"InChI=1S/C16H28O7/c1-15-4-3-8(16(15,2)7-18)5-10(15)23-14-13(21)12(20)11(19)9(6-17)22-14/h8-14,17-21H,3-7H2,1-2H3",CC1(CO)C2CCC1(C)C(OC1OC(CO)C(O)C(O)C1O)C2,C16H28O7,pos_1_sodium,332.183503236,OCDWKDASQKOTIQ,Terpenoids,Monoterpenoids,Camphane monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,3,7.5 102657,3923,11,Alkaloids,Monoterpenoids,Iridoids monoterpenoids,0.2889214,ISDB,,,,,,,PZYVCAAILFDNEG,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.155685544013977 102651,3921,281,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,HUVIXLWRQSMCLN-PXRCHJMLSA-N,"InChI=1S/C19H30O11/c1-5-9-10(6-13(25-2)26-3)11(17(24)27-4)8-28-18(9)30-19-16(23)15(22)14(21)12(7-20)29-19/h5,8-10,12-16,18-23H,1,6-7H2,2-4H3/t9-,10+,12-,14-,15+,16-,18+,19+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC(OC)OC,C19H30O11,pos_2MNa,434.1788117799998,HUVIXLWRQSMCLN,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],7,3,8.5 102652,3921,281,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,HUVIXLWRQSMCLN-PXRCHJMLSA-N,"InChI=1S/C19H30O11/c1-5-9-10(6-13(25-2)26-3)11(17(24)27-4)8-28-18(9)30-19-16(23)15(22)14(21)12(7-20)29-19/h5,8-10,12-16,18-23H,1,6-7H2,2-4H3/t9-,10+,12-,14-,15+,16-,18+,19+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC(OC)OC,C19H30O11,pos_2MNa,434.1788117799998,HUVIXLWRQSMCLN,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 102653,3921,281,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,HUVIXLWRQSMCLN-UHFFFAOYSA-N,"InChI=1S/C19H30O11/c1-5-9-10(6-13(25-2)26-3)11(17(24)27-4)8-28-18(9)30-19-16(23)15(22)14(21)12(7-20)29-19/h5,8-10,12-16,18-23H,1,6-7H2,2-4H3",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC(OC)OC,C19H30O11,pos_2MNa,434.17881178,HUVIXLWRQSMCLN,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera,649885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Unknown'],7,3,8.5 102654,3921,281,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,HUVIXLWRQSMCLN-PXRCHJMLSA-N,"InChI=1S/C19H30O11/c1-5-9-10(6-13(25-2)26-3)11(17(24)27-4)8-28-18(9)30-19-16(23)15(22)14(21)12(7-20)29-19/h5,8-10,12-16,18-23H,1,6-7H2,2-4H3/t9-,10+,12-,14-,15+,16-,18+,19+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC(OC)OC,C19H30O11,pos_2MNa,434.1788117799998,HUVIXLWRQSMCLN,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],7,3,8.5 102655,3921,281,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,HUVIXLWRQSMCLN-PXRCHJMLSA-N,"InChI=1S/C19H30O11/c1-5-9-10(6-13(25-2)26-3)11(17(24)27-4)8-28-18(9)30-19-16(23)15(22)14(21)12(7-20)29-19/h5,8-10,12-16,18-23H,1,6-7H2,2-4H3/t9-,10+,12-,14-,15+,16-,18+,19+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC(OC)OC,C19H30O11,pos_2MNa,434.1788117799998,HUVIXLWRQSMCLN,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 102656,3921,281,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,HUVIXLWRQSMCLN-UHFFFAOYSA-N,"InChI=1S/C19H30O11/c1-5-9-10(6-13(25-2)26-3)11(17(24)27-4)8-28-18(9)30-19-16(23)15(22)14(21)12(7-20)29-19/h5,8-10,12-16,18-23H,1,6-7H2,2-4H3",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC(OC)OC,C19H30O11,pos_2MNa,434.17881178,HUVIXLWRQSMCLN,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera,649885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Unknown'],7,3,8.5 102633,3920,-1,,,,0.0,MS1_match,MQLSOVRLZHTATK-PEYNGXJCSA-N,"InChI=1S/C17H24O11/c1-3-7-8(4-11(19)20)9(15(24)25-2)6-26-16(7)28-17-14(23)13(22)12(21)10(5-18)27-17/h3,6-8,10,12-14,16-18,21-23H,1,4-5H2,2H3,(H,19,20)/t7-,8+,10-,12-,13+,14-,16+,17+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC(=O)O,C17H24O11,pos_2MNa,404.1318615879998,MQLSOVRLZHTATK,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera periclymenum,811893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera periclymenum'],8,0,8.0 102634,3920,-1,,,,0.0,MS1_match,MQLSOVRLZHTATK-PEYNGXJCSA-N,"InChI=1S/C17H24O11/c1-3-7-8(4-11(19)20)9(15(24)25-2)6-26-16(7)28-17-14(23)13(22)12(21)10(5-18)27-17/h3,6-8,10,12-14,16-18,21-23H,1,4-5H2,2H3,(H,19,20)/t7-,8+,10-,12-,13+,14-,16+,17+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC(=O)O,C17H24O11,pos_2MNa,404.1318615879998,MQLSOVRLZHTATK,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera periclymenum,811893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera periclymenum'],8,0,8.0 102635,3920,-1,,,,0.0,MS1_match,MQLSOVRLZHTATK-PEYNGXJCSA-N,"InChI=1S/C17H24O11/c1-3-7-8(4-11(19)20)9(15(24)25-2)6-26-16(7)28-17-14(23)13(22)12(21)10(5-18)27-17/h3,6-8,10,12-14,16-18,21-23H,1,4-5H2,2H3,(H,19,20)/t7-,8+,10-,12-,13+,14-,16+,17+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC(=O)O,C17H24O11,pos_2MNa,404.1318615879998,MQLSOVRLZHTATK,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera periclymenum,811893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera periclymenum'],8,0,8.0 102569,3919,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,AMBQHHVBBHTQBF-UOUCRYGSSA-N,"InChI=1S/C17H26O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6-,7+,9-,10+,11+,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](C)[C@@H](O)C[C@H]12,C17H26O10,pos_1_sodium,390.1525970319999,AMBQHHVBBHTQBF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],8,2,9.0 102570,3919,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,AMBQHHVBBHTQBF-UOUCRYGSSA-N,"InChI=1S/C17H26O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6-,7+,9-,10+,11+,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](C)[C@@H](O)C[C@H]12,C17H26O10,pos_1_sodium,390.1525970319999,AMBQHHVBBHTQBF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera periclymenum,811893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera periclymenum'],8,2,9.0 102571,3919,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,AMBQHHVBBHTQBF-UOUCRYGSSA-N,"InChI=1S/C17H26O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6-,7+,9-,10+,11+,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](C)[C@@H](O)C[C@H]12,C17H26O10,pos_1_sodium,390.1525970319999,AMBQHHVBBHTQBF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera periclymenum,811893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera periclymenum'],8,2,9.0 102572,3919,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,AMBQHHVBBHTQBF-UOUCRYGSSA-N,"InChI=1S/C17H26O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6-,7+,9-,10+,11+,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](C)[C@@H](O)C[C@H]12,C17H26O10,pos_1_sodium,390.1525970319999,AMBQHHVBBHTQBF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],8,2,9.0 102039,3918,167,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.82458776,ISDB,AIONOLUJZLIMTK-AWEZNQCLSA-N,"InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1",COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1O,C16H14O6,,302.07903816799995,AIONOLUJZLIMTK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Syzygium jambos,731939.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Syzygieae'],['Syzygium'],['Syzygium jambos'],4,3,8.798351049423218 102040,3918,167,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.82458776,ISDB,AIONOLUJZLIMTK-AWEZNQCLSA-N,"InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1",COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1O,C16H14O6,,302.07903816799995,AIONOLUJZLIMTK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Allium fistulosum,856720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Allieae'],['Allium'],['Allium fistulosum'],4,3,8.798351049423218 102041,3918,167,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.82458776,ISDB,AIONOLUJZLIMTK-AWEZNQCLSA-N,"InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1",COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1O,C16H14O6,,302.07903816799995,AIONOLUJZLIMTK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Crataegus microphylla,3903788.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus microphylla'],4,3,8.798351049423218 102042,3918,167,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.82458776,ISDB,AIONOLUJZLIMTK-AWEZNQCLSA-N,"InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1",COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1O,C16H14O6,,302.07903816799995,AIONOLUJZLIMTK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Camellia sinensis,1058509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Theaceae'],['Unknown'],['Camellia'],['Camellia sinensis'],4,3,8.798351049423218 102043,3918,167,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.82458776,ISDB,AIONOLUJZLIMTK-AWEZNQCLSA-N,"InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1",COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1O,C16H14O6,,302.07903816799995,AIONOLUJZLIMTK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Cyclopia intermedia,356254.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Podalyrieae'],['Cyclopia'],['Cyclopia intermedia'],4,3,8.798351049423218 102044,3918,167,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.82458776,ISDB,AIONOLUJZLIMTK-AWEZNQCLSA-N,"InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1",COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1O,C16H14O6,,302.07903816799995,AIONOLUJZLIMTK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Brickellia vernicosa,5794430.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Brickellia'],['Brickellia vernicosa'],4,3,8.798351049423218 102045,3918,167,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.82458776,ISDB,AIONOLUJZLIMTK-AWEZNQCLSA-N,"InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1",COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1O,C16H14O6,,302.07903816799995,AIONOLUJZLIMTK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Salvia officinalis,820645.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia officinalis'],4,3,8.798351049423218 102046,3918,167,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.82458776,ISDB,AIONOLUJZLIMTK-AWEZNQCLSA-N,"InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1",COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1O,C16H14O6,,302.07903816799995,AIONOLUJZLIMTK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Cocos nucifera,366250.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Arecales'],['Arecaceae'],['Cocoseae'],['Cocos'],['Cocos nucifera'],4,3,8.798351049423218 102047,3918,167,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.82458776,ISDB,AIONOLUJZLIMTK-AWEZNQCLSA-N,"InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1",COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1O,C16H14O6,,302.07903816799995,AIONOLUJZLIMTK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Ficus pumila,734180.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Ficus'],['Ficus pumila'],4,3,8.798351049423218 102048,3918,167,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.82458776,ISDB,AIONOLUJZLIMTK-AWEZNQCLSA-N,"InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1",COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1O,C16H14O6,,302.07903816799995,AIONOLUJZLIMTK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Paulownia tomentosa,305916.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Paulowniaceae'],['Unknown'],['Paulownia'],['Paulownia tomentosa'],4,3,8.798351049423218 102049,3918,167,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.82458776,ISDB,AIONOLUJZLIMTK-AWEZNQCLSA-N,"InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1",COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1O,C16H14O6,,302.07903816799995,AIONOLUJZLIMTK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Cynara cornigera,77866.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cornigera'],4,3,8.798351049423218 102050,3918,167,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.82458776,ISDB,AIONOLUJZLIMTK-AWEZNQCLSA-N,"InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1",COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1O,C16H14O6,,302.07903816799995,AIONOLUJZLIMTK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Artemisia xanthochroa,719387.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia xanthochroa'],4,3,8.798351049423218 102051,3918,167,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.82458776,ISDB,AIONOLUJZLIMTK-AWEZNQCLSA-N,"InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1",COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1O,C16H14O6,,302.07903816799995,AIONOLUJZLIMTK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Dalbergia parviflora,3926755.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Dalbergieae'],['Dalbergia'],['Dalbergia parviflora'],4,3,8.798351049423218 102052,3918,167,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.82458776,ISDB,AIONOLUJZLIMTK-AWEZNQCLSA-N,"InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1",COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1O,C16H14O6,,302.07903816799995,AIONOLUJZLIMTK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Ocimum basilicum,305911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Ocimeae'],['Ocimum'],['Ocimum basilicum'],4,3,8.798351049423218 102053,3918,167,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.82458776,ISDB,AIONOLUJZLIMTK-AWEZNQCLSA-N,"InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1",COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1O,C16H14O6,,302.07903816799995,AIONOLUJZLIMTK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Levisticum officinale,130944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Unknown'],['Levisticum'],['Levisticum officinale'],4,3,8.798351049423218 102054,3918,167,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.82458776,ISDB,AIONOLUJZLIMTK-AWEZNQCLSA-N,"InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1",COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1O,C16H14O6,,302.07903816799995,AIONOLUJZLIMTK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Rhaponticum carthamoides,1012791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum carthamoides'],4,3,8.798351049423218 102055,3918,167,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.82458776,ISDB,AIONOLUJZLIMTK-AWEZNQCLSA-N,"InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1",COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1O,C16H14O6,,302.07903816799995,AIONOLUJZLIMTK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Punica granatum,646814.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Lythraceae'],['Unknown'],['Punica'],['Punica granatum'],4,3,8.798351049423218 102056,3918,167,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.82458776,ISDB,AIONOLUJZLIMTK-AWEZNQCLSA-N,"InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1",COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1O,C16H14O6,,302.07903816799995,AIONOLUJZLIMTK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],4,3,8.798351049423218 102057,3918,167,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.82458776,ISDB,AIONOLUJZLIMTK-CQSZACIVSA-N,"InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m1/s1",COc1ccc([C@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1O,C16H14O6,,302.079038168,AIONOLUJZLIMTK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],4,3,8.798351049423218 102058,3918,167,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.82458776,ISDB,AIONOLUJZLIMTK-AWEZNQCLSA-N,"InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1",COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1O,C16H14O6,,302.07903816799995,AIONOLUJZLIMTK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Cunila,1097484.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Cunila'],['Unknown'],4,3,8.798351049423218 102059,3918,167,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.82458776,ISDB,AIONOLUJZLIMTK-AWEZNQCLSA-N,"InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1",COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1O,C16H14O6,,302.07903816799995,AIONOLUJZLIMTK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],4,3,8.798351049423218 102060,3918,167,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.82458776,ISDB,AIONOLUJZLIMTK-AWEZNQCLSA-N,"InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1",COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1O,C16H14O6,,302.07903816799995,AIONOLUJZLIMTK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Lactuca sativa,515700.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Lactuca'],['Lactuca sativa'],4,3,8.798351049423218 102061,3918,167,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.82458776,ISDB,AIONOLUJZLIMTK-AWEZNQCLSA-N,"InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1",COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1O,C16H14O6,,302.07903816799995,AIONOLUJZLIMTK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],4,3,8.798351049423218 102062,3918,167,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.82458776,ISDB,AIONOLUJZLIMTK-AWEZNQCLSA-N,"InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1",COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1O,C16H14O6,,302.07903816799995,AIONOLUJZLIMTK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Apium graveolens var. dulce,86846.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Apieae'],['Apium'],['Apium graveolens'],4,3,8.798351049423218 102063,3918,167,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.82458776,ISDB,AIONOLUJZLIMTK-AWEZNQCLSA-N,"InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1",COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1O,C16H14O6,,302.07903816799995,AIONOLUJZLIMTK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],4,3,8.798351049423218 102064,3918,167,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.82458776,ISDB,AIONOLUJZLIMTK-AWEZNQCLSA-N,"InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1",COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1O,C16H14O6,,302.07903816799995,AIONOLUJZLIMTK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],4,3,8.798351049423218 102065,3918,167,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.82458776,ISDB,AIONOLUJZLIMTK-AWEZNQCLSA-N,"InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1",COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1O,C16H14O6,,302.07903816799995,AIONOLUJZLIMTK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Brassica oleracea,833642.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica oleracea'],4,3,8.798351049423218 102066,3918,167,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.82458776,ISDB,AIONOLUJZLIMTK-AWEZNQCLSA-N,"InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1",COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1O,C16H14O6,,302.07903816799995,AIONOLUJZLIMTK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Rubus idaeus,156929.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus idaeus'],4,3,8.798351049423218 102067,3918,167,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.82458776,ISDB,AIONOLUJZLIMTK-AWEZNQCLSA-N,"InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1",COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1O,C16H14O6,,302.07903816799995,AIONOLUJZLIMTK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Ribes nigrum,248647.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Grossulariaceae'],['Unknown'],['Ribes'],['Ribes nigrum'],4,3,8.798351049423218 102068,3918,167,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.82458776,ISDB,AIONOLUJZLIMTK-AWEZNQCLSA-N,"InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1",COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1O,C16H14O6,,302.07903816799995,AIONOLUJZLIMTK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Ribes rubrum,154642.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Grossulariaceae'],['Unknown'],['Ribes'],['Ribes rubrum'],4,3,8.798351049423218 102069,3918,167,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.82458776,ISDB,AIONOLUJZLIMTK-AWEZNQCLSA-N,"InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1",COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1O,C16H14O6,,302.07903816799995,AIONOLUJZLIMTK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],4,3,8.798351049423218 102070,3918,167,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.82458776,ISDB,AIONOLUJZLIMTK-AWEZNQCLSA-N,"InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1",COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1O,C16H14O6,,302.07903816799995,AIONOLUJZLIMTK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Brassica oleracea var. viridis,833638.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica oleracea'],4,3,8.798351049423218 102071,3918,167,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.82458776,ISDB,AIONOLUJZLIMTK-AWEZNQCLSA-N,"InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1",COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1O,C16H14O6,,302.07903816799995,AIONOLUJZLIMTK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Brassica oleracea var. italica,209048.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica oleracea'],4,3,8.798351049423218 102072,3918,167,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.82458776,ISDB,AIONOLUJZLIMTK-AWEZNQCLSA-N,"InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1",COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1O,C16H14O6,,302.07903816799995,AIONOLUJZLIMTK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Vaccinium vitis-idaea,242921.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ericaceae'],['Vaccinieae'],['Vaccinium'],['Vaccinium vitis-idaea'],4,3,8.798351049423218 102073,3918,167,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.82458776,ISDB,AIONOLUJZLIMTK-AWEZNQCLSA-N,"InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1",COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1O,C16H14O6,,302.07903816799995,AIONOLUJZLIMTK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],4,3,8.798351049423218 102074,3918,167,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.82458776,ISDB,AIONOLUJZLIMTK-AWEZNQCLSA-N,"InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1",COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1O,C16H14O6,,302.07903816799995,AIONOLUJZLIMTK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Citrus aurantifolia,3942427.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Citrus'],['Citrus aurantiifolia'],4,3,8.798351049423218 102075,3918,167,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.82458776,ISDB,AIONOLUJZLIMTK-AWEZNQCLSA-N,"InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1",COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1O,C16H14O6,,302.07903816799995,AIONOLUJZLIMTK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Apium graveolens,2472.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Apieae'],['Apium'],['Apium graveolens'],4,3,8.798351049423218 102076,3918,167,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.82458776,ISDB,AIONOLUJZLIMTK-AWEZNQCLSA-N,"InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1",COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1O,C16H14O6,,302.07903816799995,AIONOLUJZLIMTK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Phaseolus vulgaris,825707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Phaseolus'],['Phaseolus vulgaris'],4,3,8.798351049423218 102077,3918,167,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.82458776,ISDB,AIONOLUJZLIMTK-AWEZNQCLSA-N,"InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1",COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1O,C16H14O6,,302.07903816799995,AIONOLUJZLIMTK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Nepeta tenuifolia,513280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Schizonepeta'],['Schizonepeta tenuifolia'],4,3,8.798351049423218 102078,3918,167,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.82458776,ISDB,AIONOLUJZLIMTK-AWEZNQCLSA-N,"InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1",COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1O,C16H14O6,,302.07903816799995,AIONOLUJZLIMTK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],4,3,8.798351049423218 102079,3918,167,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.82458776,ISDB,AIONOLUJZLIMTK-AWEZNQCLSA-N,"InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1",COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1O,C16H14O6,,302.07903816799995,AIONOLUJZLIMTK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Brassica oleracea var. sabauda,526294.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica oleracea'],4,3,8.798351049423218 102080,3918,167,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.82458776,ISDB,AIONOLUJZLIMTK-AWEZNQCLSA-N,"InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1",COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1O,C16H14O6,,302.07903816799995,AIONOLUJZLIMTK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Fragaria,208027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Fragaria'],['Unknown'],4,3,8.798351049423218 102081,3918,167,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.82458776,ISDB,AIONOLUJZLIMTK-CQSZACIVSA-N,"InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m1/s1",COc1ccc([C@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1O,C16H14O6,,302.079038168,AIONOLUJZLIMTK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Chrysothamnus viscidiflorus,1008411.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Chrysothamnus'],['Chrysothamnus viscidiflorus'],4,3,8.798351049423218 102082,3918,167,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.82458776,ISDB,AIONOLUJZLIMTK-AWEZNQCLSA-N,"InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1",COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1O,C16H14O6,,302.07903816799995,AIONOLUJZLIMTK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Citrus paradisi,3942423.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Citrus'],['Citrus aurantium'],4,3,8.798351049423218 102083,3918,167,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.82458776,ISDB,AIONOLUJZLIMTK-AWEZNQCLSA-N,"InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1",COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1O,C16H14O6,,302.07903816799995,AIONOLUJZLIMTK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],4,3,8.798351049423218 102084,3918,167,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.82458776,ISDB,AIONOLUJZLIMTK-AWEZNQCLSA-N,"InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1",COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1O,C16H14O6,,302.07903816799995,AIONOLUJZLIMTK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Melissa officinalis,355945.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Melissa'],['Melissa officinalis'],4,3,8.798351049423218 102085,3918,167,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.82458776,ISDB,AIONOLUJZLIMTK-UHFFFAOYSA-N,"InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3",COc1ccc(C2CC(=O)c3c(O)cc(O)cc3O2)cc1O,C16H14O6,,302.079038168,AIONOLUJZLIMTK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Citrus wilsonii,5146114.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Citrus'],['Citrus wilsonii'],4,3,8.798351049423218 102086,3918,167,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.82458776,ISDB,AIONOLUJZLIMTK-AWEZNQCLSA-N,"InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1",COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1O,C16H14O6,,302.07903816799995,AIONOLUJZLIMTK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Eriodictyon californicum,544709.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Namaceae'],['Unknown'],['Eriodictyon'],['Eriodictyon californicum'],4,3,8.798351049423218 102087,3918,167,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.82458776,ISDB,AIONOLUJZLIMTK-UHFFFAOYSA-N,"InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3",COc1ccc(C2CC(=O)c3c(O)cc(O)cc3O2)cc1O,C16H14O6,,302.079038168,AIONOLUJZLIMTK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Allium caesium,497703.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Allieae'],['Allium'],['Allium caesium'],4,3,8.798351049423218 102088,3918,167,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.82458776,ISDB,AIONOLUJZLIMTK-AWEZNQCLSA-N,"InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1",COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1O,C16H14O6,,302.07903816799995,AIONOLUJZLIMTK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Lepidium sativum,925289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Lepidieae'],['Lepidium'],['Lepidium sativum'],4,3,8.798351049423218 102089,3918,167,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.82458776,ISDB,AIONOLUJZLIMTK-AWEZNQCLSA-N,"InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1",COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1O,C16H14O6,,302.07903816799995,AIONOLUJZLIMTK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Allium schoenoprasum,626975.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Allieae'],['Allium'],['Allium schoenoprasum'],4,3,8.798351049423218 102090,3918,167,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.82458776,ISDB,AIONOLUJZLIMTK-AWEZNQCLSA-N,"InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1",COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1O,C16H14O6,,302.07903816799995,AIONOLUJZLIMTK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Coriandrum sativum,2476.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Coriandreae'],['Coriandrum'],['Coriandrum sativum'],4,3,8.798351049423218 102091,3918,167,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.82458776,ISDB,AIONOLUJZLIMTK-UHFFFAOYSA-N,"InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3",COc1ccc(C2CC(=O)c3c(O)cc(O)cc3O2)cc1O,C16H14O6,,302.079038168,AIONOLUJZLIMTK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Citrus deliciosa,83847.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Citrus'],['Citrus deliciosa'],4,3,8.798351049423218 102092,3918,167,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.82458776,ISDB,AIONOLUJZLIMTK-AWEZNQCLSA-N,"InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1",COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1O,C16H14O6,,302.07903816799995,AIONOLUJZLIMTK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Anethum graveolens,378039.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Apieae'],['Anethum'],['Anethum graveolens'],4,3,8.798351049423218 102093,3918,167,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.82458776,ISDB,AIONOLUJZLIMTK-UHFFFAOYSA-N,"InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3",COc1ccc(C2CC(=O)c3c(O)cc(O)cc3O2)cc1O,C16H14O6,,302.079038168,AIONOLUJZLIMTK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Allium caeruleum,1039969.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Allieae'],['Allium'],['Allium caeruleum'],4,3,8.798351049423218 102094,3918,167,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.82458776,ISDB,AIONOLUJZLIMTK-AWEZNQCLSA-N,"InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1",COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1O,C16H14O6,,302.07903816799995,AIONOLUJZLIMTK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Citrus,929678.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Citrus'],['Unknown'],4,3,8.798351049423218 102095,3918,167,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.82458776,ISDB,AIONOLUJZLIMTK-AWEZNQCLSA-N,"InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1",COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1O,C16H14O6,,302.07903816799995,AIONOLUJZLIMTK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Rutaceae,43847.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Unknown'],['Unknown'],4,3,8.798351049423218 102096,3918,167,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.82458776,ISDB,AIONOLUJZLIMTK-UHFFFAOYSA-N,"InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3",COc1ccc(C2CC(=O)c3c(O)cc(O)cc3O2)cc1O,C16H14O6,,302.079038168,AIONOLUJZLIMTK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Citrus medica,798604.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Citrus'],['Citrus medica'],4,3,8.798351049423218 102097,3918,167,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.82458776,ISDB,AIONOLUJZLIMTK-AWEZNQCLSA-N,"InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1",COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1O,C16H14O6,,302.07903816799995,AIONOLUJZLIMTK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Origanum vulgare,305918.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Origanum'],['Origanum vulgare'],4,3,8.798351049423218 102098,3918,167,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.82458776,ISDB,AIONOLUJZLIMTK-AWEZNQCLSA-N,"InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1",COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1O,C16H14O6,,302.07903816799995,AIONOLUJZLIMTK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Petroselinum crispum,2485.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Apieae'],['Petroselinum'],['Petroselinum crispum'],4,3,8.798351049423218 102099,3918,167,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.82458776,ISDB,AIONOLUJZLIMTK-AWEZNQCLSA-N,"InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1",COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1O,C16H14O6,,302.07903816799995,AIONOLUJZLIMTK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Nasturtium officinale,556245.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Cardamineae'],['Nasturtium'],['Nasturtium officinale'],4,3,8.798351049423218 102100,3918,167,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.82458776,ISDB,AIONOLUJZLIMTK-AWEZNQCLSA-N,"InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1",COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1O,C16H14O6,,302.07903816799995,AIONOLUJZLIMTK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Rosmarinus officinalis,778824.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia rosmarinus'],4,3,8.798351049423218 102101,3918,167,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.82458776,ISDB,AIONOLUJZLIMTK-UHFFFAOYSA-N,"InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3",COc1ccc(C2CC(=O)c3c(O)cc(O)cc3O2)cc1O,C16H14O6,,302.079038168,AIONOLUJZLIMTK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Citrus unshiu,1011450.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Citrus'],['Citrus unshiu'],4,3,8.798351049423218 102102,3918,167,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.82458776,ISDB,AIONOLUJZLIMTK-AWEZNQCLSA-N,"InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1",COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1O,C16H14O6,,302.07903816799995,AIONOLUJZLIMTK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Artemisia dracunculus,1070795.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia dracunculus'],4,3,8.798351049423218 102103,3918,167,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.82458776,ISDB,AIONOLUJZLIMTK-AWEZNQCLSA-N,"InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1",COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1O,C16H14O6,,302.07903816799995,AIONOLUJZLIMTK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Vitis vinifera,756728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Vitales'],['Vitaceae'],['Viteae'],['Vitis'],['Vitis vinifera'],4,3,8.798351049423218 102104,3918,167,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.82458776,ISDB,AIONOLUJZLIMTK-AWEZNQCLSA-N,"InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1",COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1O,C16H14O6,,302.07903816799995,AIONOLUJZLIMTK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Pisum sativum,359905.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Fabeae'],['Pisum'],['Pisum sativum'],4,3,8.798351049423218 102105,3918,167,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.82458776,ISDB,AIONOLUJZLIMTK-UHFFFAOYSA-N,"InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3",COc1ccc(C2CC(=O)c3c(O)cc(O)cc3O2)cc1O,C16H14O6,,302.079038168,AIONOLUJZLIMTK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Citrus trifoliata,306774.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Citrus'],['Citrus trifoliata'],4,3,8.798351049423218 102106,3918,167,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.82458776,ISDB,AIONOLUJZLIMTK-UHFFFAOYSA-N,"InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3",COc1ccc(C2CC(=O)c3c(O)cc(O)cc3O2)cc1O,C16H14O6,,302.079038168,AIONOLUJZLIMTK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Citrus grandis,838646.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Citrus'],['Citrus maxima'],4,3,8.798351049423218 102107,3918,167,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.82458776,ISDB,AIONOLUJZLIMTK-UHFFFAOYSA-N,"InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3",COc1ccc(C2CC(=O)c3c(O)cc(O)cc3O2)cc1O,C16H14O6,,302.079038168,AIONOLUJZLIMTK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Citrus maxima,838646.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Citrus'],['Citrus maxima'],4,3,8.798351049423218 102108,3918,167,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.82458776,ISDB,AIONOLUJZLIMTK-UHFFFAOYSA-N,"InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3",COc1ccc(C2CC(=O)c3c(O)cc(O)cc3O2)cc1O,C16H14O6,,302.079038168,AIONOLUJZLIMTK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Citrus reticulata,37136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Citrus'],['Citrus reticulata'],4,3,8.798351049423218 101230,3917,629,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.39850438,ISDB,FJKROLUGYXJWQN-UHFFFAOYSA-N,"InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)",O=C(O)c1ccc(O)cc1,C7H6O3,,138.031694052,FJKROLUGYXJWQN,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Lonicera microphylla,980075.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera microphylla'],7,3,10.094017505645752 101226,3914,147,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,HPJJCRNQEWRFQW-ILXVDBEPSA-N,"InChI=1S/C18H22O9/c1-2-26-17(24)18(25)8-13(21)16(14(22)9-18)27-15(23)6-4-10-3-5-11(19)12(20)7-10/h3-7,13-14,16,19-22,25H,2,8-9H2,1H3/t13-,14-,16-,18+/m0/s1",CCOC(=O)[C@]1(O)C[C@H](O)[C@@H](OC(=O)C=Cc2ccc(O)c(O)c2)[C@@H](O)C1,C18H22O9,pos_1_1proton1acetonitrile,382.126382284,HPJJCRNQEWRFQW,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera bournei,5746380.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera bournei'],7,3,8.5 101227,3914,147,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CPYDMLXRLHYXSV-UNKAVFLYSA-N,"InChI=1S/C18H22O9/c1-25-13-7-10(3-5-11(13)19)4-6-15(21)27-14-9-18(24,17(23)26-2)8-12(20)16(14)22/h3-7,12,14,16,19-20,22,24H,8-9H2,1-2H3/b6-4+/t12-,14-,16-,18+/m0/s1",COC(=O)[C@]1(O)C[C@H](OC(=O)/C=C/c2ccc(O)c(OC)c2)[C@@H](O)[C@@H](O)C1,C18H22O9,pos_1_1proton1acetonitrile,382.126382284,CPYDMLXRLHYXSV,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera bournei,5746380.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera bournei'],7,3,8.5 101228,3914,147,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,LEUHYTKFUDEERH-NBJMIBJLSA-N,"InChI=1S/C18H22O9/c1-2-26-17(24)18(25)8-13(21)16(23)14(9-18)27-15(22)6-4-10-3-5-11(19)12(20)7-10/h3-7,13-14,16,19-21,23,25H,2,8-9H2,1H3/b6-4+/t13-,14-,16-,18+/m0/s1",CCOC(=O)[C@]1(O)C[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](O)[C@@H](O)C1,C18H22O9,pos_1_1proton1acetonitrile,382.126382284,LEUHYTKFUDEERH,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera bournei,5746380.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera bournei'],7,3,8.5 101229,3914,147,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,LEUHYTKFUDEERH-NBJMIBJLSA-N,"InChI=1S/C18H22O9/c1-2-26-17(24)18(25)8-13(21)16(23)14(9-18)27-15(22)6-4-10-3-5-11(19)12(20)7-10/h3-7,13-14,16,19-21,23,25H,2,8-9H2,1H3/b6-4+/t13-,14-,16-,18+/m0/s1",CCOC(=O)[C@]1(O)C[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](O)[C@@H](O)C1,C18H22O9,pos_1_1proton1acetonitrile,382.126382284,LEUHYTKFUDEERH,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera bournei,5746380.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera bournei'],7,3,8.5 100861,3913,-1,,,,0.0,MS1_match,GWCSSLSMGCFIFR-GWKPYITFSA-N,"InChI=1S/C20H20O6/c1-24-17-10-13(5-6-16(17)23)19-15(11-22)14-8-12(4-3-7-21)9-18(25-2)20(14)26-19/h3-10,15,19,22-23H,11H2,1-2H3/b4-3+/t15-,19+/m1/s1",COc1cc([C@@H]2Oc3c(OC)cc(/C=C/C=O)cc3[C@H]2CO)ccc1O,C20H20O6,pos_2_2proton,356.12598835999995,GWCSSLSMGCFIFR,Shikimates and Phenylpropanoids,Lignans,Neolignans,Lonicera insularis,5746388.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera insularis'],7,0,7.0 100862,3913,-1,,,,0.0,MS1_match,GWCSSLSMGCFIFR-GWKPYITFSA-N,"InChI=1S/C20H20O6/c1-24-17-10-13(5-6-16(17)23)19-15(11-22)14-8-12(4-3-7-21)9-18(25-2)20(14)26-19/h3-10,15,19,22-23H,11H2,1-2H3/b4-3+/t15-,19+/m1/s1",COc1cc([C@@H]2Oc3c(OC)cc(/C=C/C=O)cc3[C@H]2CO)ccc1O,C20H20O6,pos_2_2proton,356.12598835999995,GWCSSLSMGCFIFR,Shikimates and Phenylpropanoids,Lignans,Neolignans,Lonicera morrowii,484242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],7,0,7.0 100857,3912,167,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.36561948,ISDB,SVQOEFMFPWOSRE-ZHYQWURXSA-N,"InChI=1S/C22H24O10/c1-9-19(26)20(27)21(28)22(30-9)31-11-6-13(24)18-14(25)8-16(32-17(18)7-11)10-3-4-15(29-2)12(23)5-10/h3-7,9,16,19-24,26-28H,8H2,1-2H3/t9-,16-,19-,20-,21+,22-/m0/s1",COc1ccc([C@@H]2CC(=O)c3c(O)cc(O[C@@H]4O[C@@H](C)[C@H](O)[C@H](O)[C@H]4O)cc3O2)cc1O,C22H24O10,,448.136946968,SVQOEFMFPWOSRE,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Cordia obliqua,97403.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Cordiaceae'],['Unknown'],['Cordia'],['Cordia myxa'],4,3,6.962477922439575 100588,3911,173,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.62614024,ISDB,JNNGEAWILNVFFD-CDJYTOATSA-N,"InChI=1S/C16H24O10/c1-5-8(18)2-6-7(14(22)23)4-24-15(10(5)6)26-16-13(21)12(20)11(19)9(3-17)25-16/h4-6,8-13,15-21H,2-3H2,1H3,(H,22,23)/t5-,6+,8-,9+,10+,11+,12-,13+,15-,16-/m0/s1",C[C@@H]1[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)O)[C@H]2C[C@@H]1O,C16H24O10,,376.1369469679999,JNNGEAWILNVFFD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],8,3,12.004560947418213 100581,3910,43,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,ILEDWLMCKZNDJK-UHFFFAOYSA-N,"InChI=1S/C9H6O4/c10-6-3-5-1-2-9(12)13-8(5)4-7(6)11/h1-4,10-11H",O=c1ccc2cc(O)c(O)cc2o1,C9H6O4,pos_1_1proton1methanol,178.026608672,ILEDWLMCKZNDJK,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Lonicera bournei,5746380.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera bournei'],7,3,8.5 100555,3908,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.39672086,ISDB,USFDIQKRDRIDPN-CTYIEIGBSA-N,"InChI=1S/C17H22O9/c1-23-10-5-9(3-4-13(19)24-2)6-11(7-10)25-17-16(22)15(21)14(20)12(8-18)26-17/h3-7,12,14-18,20-22H,8H2,1-2H3/b4-3+/t12-,14-,15+,16-,17-/m1/s1",COC(=O)/C=C/c1cc(OC)cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1,C17H22O9,,370.126382284,USFDIQKRDRIDPN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Linum usitatissimum,1000262.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Linaceae'],['Unknown'],['Linum'],['Linum usitatissimum'],4,3,7.0868834257125854 100517,3907,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,VSJGJMKGNMDJCI-ZASXJUAOSA-N,"InChI=1S/C16H22O9/c1-2-7-8-3-4-22-14(21)9(8)6-23-15(7)25-16-13(20)12(19)11(18)10(5-17)24-16/h2,6-8,10-13,15-20H,1,3-5H2/t7-,8+,10-,11-,12+,13-,15+,16+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCC[C@H]21,C16H22O9,pos_1_sodium,358.126382284,VSJGJMKGNMDJCI,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera morrowii,484242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],8,3,9.5 100518,3907,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,VSJGJMKGNMDJCI-ZASXJUAOSA-N,"InChI=1S/C16H22O9/c1-2-7-8-3-4-22-14(21)9(8)6-23-15(7)25-16-13(20)12(19)11(18)10(5-17)24-16/h2,6-8,10-13,15-20H,1,3-5H2/t7-,8+,10-,11-,12+,13-,15+,16+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCC[C@H]21,C16H22O9,pos_1_sodium,358.126382284,VSJGJMKGNMDJCI,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera morrowii,484242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],8,3,9.5 100505,3904,62,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,GHPOIRJQBGGCSC-SPFBNEDVSA-N,"InChI=1S/C25H28O12/c1-2-12-13(8-15-17(19(28)23(33)35-15)11-6-4-3-5-7-11)14(22(31)32)10-34-24(12)37-25-21(30)20(29)18(27)16(9-26)36-25/h2-7,10,12-13,15-16,18,20-21,24-30H,1,8-9H2,(H,31,32)/t12-,13+,15-,16-,18-,20+,21-,24+,25+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)O)[C@H]1C[C@H]1OC(=O)C(O)=C1c1ccccc1,C25H28O12,pos_1_1proton1methanol,520.1580763359998,GHPOIRJQBGGCSC,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,2,8.0 100506,3904,62,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,JANONPLUBJJWRY-LDRWPHMTSA-N,"InChI=1S/C25H28O12/c1-2-12-13-8-15(17(19(28)22(31)32)11-6-4-3-5-7-11)35-23(33)14(13)10-34-24(12)37-25-21(30)20(29)18(27)16(9-26)36-25/h2-7,10,12-13,15-16,18,20-21,24-30H,1,8-9H2,(H,31,32)/b19-17+/t12-,13+,15-,16-,18-,20+,21-,24+,25+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)O[C@@H](/C(=C(/O)C(=O)O)c3ccccc3)C[C@H]21,C25H28O12,pos_1_1proton1methanol,520.1580763359999,JANONPLUBJJWRY,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,2,8.0 100499,3903,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,HUVIXLWRQSMCLN-PXRCHJMLSA-N,"InChI=1S/C19H30O11/c1-5-9-10(6-13(25-2)26-3)11(17(24)27-4)8-28-18(9)30-19-16(23)15(22)14(21)12(7-20)29-19/h5,8-10,12-16,18-23H,1,6-7H2,2-4H3/t9-,10+,12-,14-,15+,16-,18+,19+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC(OC)OC,C19H30O11,pos_1_1proton1ammonium,434.1788117799998,HUVIXLWRQSMCLN,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],7,2,8.0 100500,3903,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,HUVIXLWRQSMCLN-PXRCHJMLSA-N,"InChI=1S/C19H30O11/c1-5-9-10(6-13(25-2)26-3)11(17(24)27-4)8-28-18(9)30-19-16(23)15(22)14(21)12(7-20)29-19/h5,8-10,12-16,18-23H,1,6-7H2,2-4H3/t9-,10+,12-,14-,15+,16-,18+,19+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC(OC)OC,C19H30O11,pos_1_1proton1ammonium,434.1788117799998,HUVIXLWRQSMCLN,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,2,8.0 100501,3903,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,HUVIXLWRQSMCLN-UHFFFAOYSA-N,"InChI=1S/C19H30O11/c1-5-9-10(6-13(25-2)26-3)11(17(24)27-4)8-28-18(9)30-19-16(23)15(22)14(21)12(7-20)29-19/h5,8-10,12-16,18-23H,1,6-7H2,2-4H3",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC(OC)OC,C19H30O11,pos_1_1proton1ammonium,434.17881178,HUVIXLWRQSMCLN,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera,649885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Unknown'],7,2,8.0 100502,3903,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,HUVIXLWRQSMCLN-PXRCHJMLSA-N,"InChI=1S/C19H30O11/c1-5-9-10(6-13(25-2)26-3)11(17(24)27-4)8-28-18(9)30-19-16(23)15(22)14(21)12(7-20)29-19/h5,8-10,12-16,18-23H,1,6-7H2,2-4H3/t9-,10+,12-,14-,15+,16-,18+,19+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC(OC)OC,C19H30O11,pos_1_1proton1ammonium,434.1788117799998,HUVIXLWRQSMCLN,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],7,2,8.0 100503,3903,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,HUVIXLWRQSMCLN-PXRCHJMLSA-N,"InChI=1S/C19H30O11/c1-5-9-10(6-13(25-2)26-3)11(17(24)27-4)8-28-18(9)30-19-16(23)15(22)14(21)12(7-20)29-19/h5,8-10,12-16,18-23H,1,6-7H2,2-4H3/t9-,10+,12-,14-,15+,16-,18+,19+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC(OC)OC,C19H30O11,pos_1_1proton1ammonium,434.1788117799998,HUVIXLWRQSMCLN,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,2,8.0 100504,3903,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,HUVIXLWRQSMCLN-UHFFFAOYSA-N,"InChI=1S/C19H30O11/c1-5-9-10(6-13(25-2)26-3)11(17(24)27-4)8-28-18(9)30-19-16(23)15(22)14(21)12(7-20)29-19/h5,8-10,12-16,18-23H,1,6-7H2,2-4H3",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC(OC)OC,C19H30O11,pos_1_1proton1ammonium,434.17881178,HUVIXLWRQSMCLN,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera,649885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Unknown'],7,2,8.0 100494,3902,101,Polyketides,Phenylpropanoids (C6-C3),Furans,0.0,MS1_match,NOEGNKMFWQHSLB-UHFFFAOYSA-N,"InChI=1S/C6H6O3/c7-3-5-1-2-6(4-8)9-5/h1-3,8H,4H2",O=Cc1ccc(CO)o1,C6H6O3,pos_1_1proton,126.031694052,NOEGNKMFWQHSLB,Polyketides,Cyclic polyketides,Furans,Hydrastis canadensis,1072050.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Hydrastis'],['Hydrastis canadensis'],6,3,7.5 100486,3901,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,HUVIXLWRQSMCLN-PXRCHJMLSA-N,"InChI=1S/C19H30O11/c1-5-9-10(6-13(25-2)26-3)11(17(24)27-4)8-28-18(9)30-19-16(23)15(22)14(21)12(7-20)29-19/h5,8-10,12-16,18-23H,1,6-7H2,2-4H3/t9-,10+,12-,14-,15+,16-,18+,19+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC(OC)OC,C19H30O11,pos_2MHNH3,434.1788117799998,HUVIXLWRQSMCLN,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],7,2,8.0 100487,3901,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,HUVIXLWRQSMCLN-PXRCHJMLSA-N,"InChI=1S/C19H30O11/c1-5-9-10(6-13(25-2)26-3)11(17(24)27-4)8-28-18(9)30-19-16(23)15(22)14(21)12(7-20)29-19/h5,8-10,12-16,18-23H,1,6-7H2,2-4H3/t9-,10+,12-,14-,15+,16-,18+,19+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC(OC)OC,C19H30O11,pos_2MHNH3,434.1788117799998,HUVIXLWRQSMCLN,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,2,8.0 100488,3901,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,HUVIXLWRQSMCLN-UHFFFAOYSA-N,"InChI=1S/C19H30O11/c1-5-9-10(6-13(25-2)26-3)11(17(24)27-4)8-28-18(9)30-19-16(23)15(22)14(21)12(7-20)29-19/h5,8-10,12-16,18-23H,1,6-7H2,2-4H3",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC(OC)OC,C19H30O11,pos_2MHNH3,434.17881178,HUVIXLWRQSMCLN,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera,649885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Unknown'],7,2,8.0 100489,3901,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,HUVIXLWRQSMCLN-PXRCHJMLSA-N,"InChI=1S/C19H30O11/c1-5-9-10(6-13(25-2)26-3)11(17(24)27-4)8-28-18(9)30-19-16(23)15(22)14(21)12(7-20)29-19/h5,8-10,12-16,18-23H,1,6-7H2,2-4H3/t9-,10+,12-,14-,15+,16-,18+,19+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC(OC)OC,C19H30O11,pos_2MHNH3,434.1788117799998,HUVIXLWRQSMCLN,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],7,2,8.0 100490,3901,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,HUVIXLWRQSMCLN-PXRCHJMLSA-N,"InChI=1S/C19H30O11/c1-5-9-10(6-13(25-2)26-3)11(17(24)27-4)8-28-18(9)30-19-16(23)15(22)14(21)12(7-20)29-19/h5,8-10,12-16,18-23H,1,6-7H2,2-4H3/t9-,10+,12-,14-,15+,16-,18+,19+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC(OC)OC,C19H30O11,pos_2MHNH3,434.1788117799998,HUVIXLWRQSMCLN,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,2,8.0 100491,3901,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,HUVIXLWRQSMCLN-UHFFFAOYSA-N,"InChI=1S/C19H30O11/c1-5-9-10(6-13(25-2)26-3)11(17(24)27-4)8-28-18(9)30-19-16(23)15(22)14(21)12(7-20)29-19/h5,8-10,12-16,18-23H,1,6-7H2,2-4H3",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC(OC)OC,C19H30O11,pos_2MHNH3,434.17881178,HUVIXLWRQSMCLN,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera,649885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Unknown'],7,2,8.0 100468,3900,153,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,MQLSOVRLZHTATK-PEYNGXJCSA-N,"InChI=1S/C17H24O11/c1-3-7-8(4-11(19)20)9(15(24)25-2)6-26-16(7)28-17-14(23)13(22)12(21)10(5-18)27-17/h3,6-8,10,12-14,16-18,21-23H,1,4-5H2,2H3,(H,19,20)/t7-,8+,10-,12-,13+,14-,16+,17+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC(=O)O,C17H24O11,pos_2MHNH3,404.1318615879998,MQLSOVRLZHTATK,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera periclymenum,811893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera periclymenum'],8,3,9.5 100469,3900,153,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,MQLSOVRLZHTATK-PEYNGXJCSA-N,"InChI=1S/C17H24O11/c1-3-7-8(4-11(19)20)9(15(24)25-2)6-26-16(7)28-17-14(23)13(22)12(21)10(5-18)27-17/h3,6-8,10,12-14,16-18,21-23H,1,4-5H2,2H3,(H,19,20)/t7-,8+,10-,12-,13+,14-,16+,17+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC(=O)O,C17H24O11,pos_2MHNH3,404.1318615879998,MQLSOVRLZHTATK,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera periclymenum,811893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera periclymenum'],8,3,9.5 100470,3900,153,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,MQLSOVRLZHTATK-PEYNGXJCSA-N,"InChI=1S/C17H24O11/c1-3-7-8(4-11(19)20)9(15(24)25-2)6-26-16(7)28-17-14(23)13(22)12(21)10(5-18)27-17/h3,6-8,10,12-14,16-18,21-23H,1,4-5H2,2H3,(H,19,20)/t7-,8+,10-,12-,13+,14-,16+,17+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC(=O)O,C17H24O11,pos_2MHNH3,404.1318615879998,MQLSOVRLZHTATK,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera periclymenum,811893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera periclymenum'],8,3,9.5 100426,3899,173,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,ATFJUGCMEQBNLH-UHFFFAOYSA-N,"InChI=1S/C10H14O5/c1-10-6(12)2-4-5(3-11)9(15-10)14-8(13)7(4)10/h4-7,9,11-12H,2-3H2,1H3",CC12OC3OC(=O)C1C(CC2O)C3CO,C10H14O5,pos_1_1proton,214.084123548,ATFJUGCMEQBNLH,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,3,7.5 100388,3898,86,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,VSJGJMKGNMDJCI-ZASXJUAOSA-N,"InChI=1S/C16H22O9/c1-2-7-8-3-4-22-14(21)9(8)6-23-15(7)25-16-13(20)12(19)11(18)10(5-17)24-16/h2,6-8,10-13,15-20H,1,3-5H2/t7-,8+,10-,11-,12+,13-,15+,16+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCC[C@H]21,C16H22O9,pos_2MH,358.126382284,VSJGJMKGNMDJCI,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera morrowii,484242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],8,3,9.5 100389,3898,86,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,VSJGJMKGNMDJCI-ZASXJUAOSA-N,"InChI=1S/C16H22O9/c1-2-7-8-3-4-22-14(21)9(8)6-23-15(7)25-16-13(20)12(19)11(18)10(5-17)24-16/h2,6-8,10-13,15-20H,1,3-5H2/t7-,8+,10-,11-,12+,13-,15+,16+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCC[C@H]21,C16H22O9,pos_2MH,358.126382284,VSJGJMKGNMDJCI,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera morrowii,484242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],8,3,9.5 100383,3897,173,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BXZYVDAASBLBQM-UHFFFAOYSA-N,"InChI=1S/C16H24O7/c1-8-6-22-16(9(2)3-4-10(8)16)7-21-15-14(20)13(19)12(18)11(5-17)23-15/h3,10-15,17-20H,1,4-7H2,2H3",C=C1COC2(COC3OC(CO)C(O)C(O)C3O)C(C)=CCC12,C16H24O7,pos_1_1proton1methanol,328.1522031079999,BXZYVDAASBLBQM,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia scabra,68239.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia scabra'],6,3,7.5 100369,3895,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.28324166,ISDB,JAYIAMKATBCOIA-PRTUSXBOSA-N,"InChI=1S/C12H16O5/c1-4-7-8-5-6-16-10(13)9(8)12(15-3)17-11(7)14-2/h4,11-12H,5-6H2,1-3H3/b7-4-/t11-,12+/m0/s1",C/C=C1/C2=C(C(=O)OCC2)[C@H](OC)O[C@@H]1OC,C12H16O5,,240.099773612,JAYIAMKATBCOIA,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Fagraea gracilipes,470786.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Gentianaceae'],['Potalieae'],['Fagraea'],['Fagraea gracilipes'],4,2,6.132966637611389 100370,3895,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.28324166,ISDB,JAYIAMKATBCOIA-HIMAVIEDSA-N,"InChI=1S/C12H16O5/c1-4-7-8-5-6-16-10(13)9(8)12(15-3)17-11(7)14-2/h4,11-12H,5-6H2,1-3H3/b7-4-/t11-,12+/m1/s1",C/C=C1/C2=C(C(=O)OCC2)[C@@H](OC)O[C@H]1OC,C12H16O5,,240.099773612,JAYIAMKATBCOIA,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Gentiana macrophylla,615941.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Gentianaceae'],['Gentianeae'],['Gentiana'],['Gentiana macrophylla'],4,2,6.132966637611389 100062,3894,895,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.40541327,ISDB,AMBQHHVBBHTQBF-UOUCRYGSSA-N,"InChI=1S/C17H26O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6-,7+,9-,10+,11+,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](C)[C@@H](O)C[C@H]12,C17H26O10,,390.1525970319999,AMBQHHVBBHTQBF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],8,3,11.121653079986572 99994,3892,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,RAYZRCGMIDUTKS-UHFFFAOYSA-N,"InChI=1S/C17H24O10/c1-3-7-8-4-11(23-2)26-15(22)9(8)6-24-16(7)27-17-14(21)13(20)12(19)10(5-18)25-17/h3,6-8,10-14,16-21H,1,4-5H2,2H3",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C2C(=O)OC(OC)CC21,C17H24O10,pos_2MHNH3,388.136946968,RAYZRCGMIDUTKS,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera macrantha,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,2,8.0 99995,3892,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,CSKKDSFETGLMSB-NRZPKYKESA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11-,12-,13+,14-,16+,17+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC=O,C17H24O10,pos_2MHNH3,388.1369469679999,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera tatarica,980069.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],7,2,8.0 99996,3892,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,CSKKDSFETGLMSB-NRZPKYKESA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11-,12-,13+,14-,16+,17+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC=O,C17H24O10,pos_2MHNH3,388.1369469679999,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera dioica,920862.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera dioica'],7,2,8.0 99997,3892,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,CSKKDSFETGLMSB-NRZPKYKESA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11-,12-,13+,14-,16+,17+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC=O,C17H24O10,pos_2MHNH3,388.1369469679999,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera korolkowii,692192.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera korolkowii'],7,2,8.0 99998,3892,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,JNNGEAWILNVFFD-CDJYTOATSA-N,"InChI=1S/C16H24O10/c1-5-8(18)2-6-7(14(22)23)4-24-15(10(5)6)26-16-13(21)12(20)11(19)9(3-17)25-16/h4-6,8-13,15-21H,2-3H2,1H3,(H,22,23)/t5-,6+,8-,9+,10+,11+,12-,13+,15-,16-/m0/s1",C[C@@H]1[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)O)[C@H]2C[C@@H]1O,C16H24O10,pos_2MHCH3CN,376.1369469679999,JNNGEAWILNVFFD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],7,2,8.0 99999,3892,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,JNNGEAWILNVFFD-CDJYTOATSA-N,"InChI=1S/C16H24O10/c1-5-8(18)2-6-7(14(22)23)4-24-15(10(5)6)26-16-13(21)12(20)11(19)9(3-17)25-16/h4-6,8-13,15-21H,2-3H2,1H3,(H,22,23)/t5-,6+,8-,9+,10+,11+,12-,13+,15-,16-/m0/s1",C[C@@H]1[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)O)[C@H]2C[C@@H]1O,C16H24O10,pos_2MHCH3CN,376.1369469679999,JNNGEAWILNVFFD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera periclymenum,811893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera periclymenum'],7,2,8.0 100000,3892,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,JNNGEAWILNVFFD-CDJYTOATSA-N,"InChI=1S/C16H24O10/c1-5-8(18)2-6-7(14(22)23)4-24-15(10(5)6)26-16-13(21)12(20)11(19)9(3-17)25-16/h4-6,8-13,15-21H,2-3H2,1H3,(H,22,23)/t5-,6+,8-,9+,10+,11+,12-,13+,15-,16-/m0/s1",C[C@@H]1[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)O)[C@H]2C[C@@H]1O,C16H24O10,pos_2MHCH3CN,376.1369469679999,JNNGEAWILNVFFD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera periclymenum,811893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera periclymenum'],7,2,8.0 100001,3892,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,CSKKDSFETGLMSB-NRZPKYKESA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11-,12-,13+,14-,16+,17+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC=O,C17H24O10,pos_2MHNH3,388.1369469679999,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera korolkowii,692192.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera korolkowii'],7,2,8.0 100002,3892,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,JNNGEAWILNVFFD-CDJYTOATSA-N,"InChI=1S/C16H24O10/c1-5-8(18)2-6-7(14(22)23)4-24-15(10(5)6)26-16-13(21)12(20)11(19)9(3-17)25-16/h4-6,8-13,15-21H,2-3H2,1H3,(H,22,23)/t5-,6+,8-,9+,10+,11+,12-,13+,15-,16-/m0/s1",C[C@@H]1[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)O)[C@H]2C[C@@H]1O,C16H24O10,pos_2MHCH3CN,376.1369469679999,JNNGEAWILNVFFD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],7,2,8.0 100003,3892,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,CSKKDSFETGLMSB-NRZPKYKESA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11-,12-,13+,14-,16+,17+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC=O,C17H24O10,pos_2MHNH3,388.1369469679999,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],7,2,8.0 100004,3892,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,CSKKDSFETGLMSB-FUJZYWHJSA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11-,12-,13+,14-,16-,17+/m1/s1",C=C[C@H]1[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC=O,C17H24O10,pos_2MHNH3,388.136946968,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,2,8.0 100005,3892,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,CSKKDSFETGLMSB-UHFFFAOYSA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC=O,C17H24O10,pos_2MHNH3,388.1369469679999,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera morrowii,484242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],7,2,8.0 100006,3892,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,CSKKDSFETGLMSB-QOMIBOLPSA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11-,12-,13+,14-,16+,17-/m1/s1",C=C[C@H]1[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC=O,C17H24O10,pos_2MHNH3,388.136946968,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera periclymenum,811893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera periclymenum'],7,2,8.0 100007,3892,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,CSKKDSFETGLMSB-NRZPKYKESA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11-,12-,13+,14-,16+,17+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC=O,C17H24O10,pos_2MHNH3,388.1369469679999,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera tatarica,980069.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],7,2,8.0 100008,3892,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,CSKKDSFETGLMSB-NRZPKYKESA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11-,12-,13+,14-,16+,17+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC=O,C17H24O10,pos_2MHNH3,388.1369469679999,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera dioica,920862.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera dioica'],7,2,8.0 100009,3892,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,JNNGEAWILNVFFD-CDJYTOATSA-N,"InChI=1S/C16H24O10/c1-5-8(18)2-6-7(14(22)23)4-24-15(10(5)6)26-16-13(21)12(20)11(19)9(3-17)25-16/h4-6,8-13,15-21H,2-3H2,1H3,(H,22,23)/t5-,6+,8-,9+,10+,11+,12-,13+,15-,16-/m0/s1",C[C@@H]1[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)O)[C@H]2C[C@@H]1O,C16H24O10,pos_2MHCH3CN,376.1369469679999,JNNGEAWILNVFFD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,2,8.0 100010,3892,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,CSKKDSFETGLMSB-QOMIBOLPSA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11-,12-,13+,14-,16+,17-/m1/s1",C=C[C@H]1[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC=O,C17H24O10,pos_2MHNH3,388.136946968,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera periclymenum,811893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera periclymenum'],7,2,8.0 100011,3892,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,JNNGEAWILNVFFD-CDJYTOATSA-N,"InChI=1S/C16H24O10/c1-5-8(18)2-6-7(14(22)23)4-24-15(10(5)6)26-16-13(21)12(20)11(19)9(3-17)25-16/h4-6,8-13,15-21H,2-3H2,1H3,(H,22,23)/t5-,6+,8-,9+,10+,11+,12-,13+,15-,16-/m0/s1",C[C@@H]1[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)O)[C@H]2C[C@@H]1O,C16H24O10,pos_2MHCH3CN,376.1369469679999,JNNGEAWILNVFFD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,2,8.0 100012,3892,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,CSKKDSFETGLMSB-FUJZYWHJSA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11-,12-,13+,14-,16-,17+/m1/s1",C=C[C@H]1[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC=O,C17H24O10,pos_2MHNH3,388.136946968,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,2,8.0 100013,3892,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,RAYZRCGMIDUTKS-UHFFFAOYSA-N,"InChI=1S/C17H24O10/c1-3-7-8-4-11(23-2)26-15(22)9(8)6-24-16(7)27-17-14(21)13(20)12(19)10(5-18)25-17/h3,6-8,10-14,16-21H,1,4-5H2,2H3",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C2C(=O)OC(OC)CC21,C17H24O10,pos_2MHNH3,388.136946968,RAYZRCGMIDUTKS,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera fulvotomentosa,650610.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera fulvotomentosa'],7,2,8.0 100014,3892,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,RAYZRCGMIDUTKS-UHFFFAOYSA-N,"InChI=1S/C17H24O10/c1-3-7-8-4-11(23-2)26-15(22)9(8)6-24-16(7)27-17-14(21)13(20)12(19)10(5-18)25-17/h3,6-8,10-14,16-21H,1,4-5H2,2H3",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C2C(=O)OC(OC)CC21,C17H24O10,pos_2MHNH3,388.136946968,RAYZRCGMIDUTKS,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera hypoglauca,235196.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera hypoglauca'],7,2,8.0 100015,3892,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,RAYZRCGMIDUTKS-UHFFFAOYSA-N,"InChI=1S/C17H24O10/c1-3-7-8-4-11(23-2)26-15(22)9(8)6-24-16(7)27-17-14(21)13(20)12(19)10(5-18)25-17/h3,6-8,10-14,16-21H,1,4-5H2,2H3",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C2C(=O)OC(OC)CC21,C17H24O10,pos_2MHNH3,388.136946968,RAYZRCGMIDUTKS,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera confusa,594829.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera confusa'],7,2,8.0 100016,3892,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,RAYZRCGMIDUTKS-RJFLBQOQSA-N,"InChI=1S/C17H24O10/c1-3-7-8-4-11(23-2)26-15(22)9(8)6-24-16(7)27-17-14(21)13(20)12(19)10(5-18)25-17/h3,6-8,10-14,16-21H,1,4-5H2,2H3/t7-,8+,10-,11+,12-,13+,14-,16+,17+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)O[C@H](OC)C[C@H]21,C17H24O10,pos_2MHNH3,388.1369469679999,RAYZRCGMIDUTKS,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,2,8.0 100017,3892,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,RAYZRCGMIDUTKS-UHFFFAOYSA-N,"InChI=1S/C17H24O10/c1-3-7-8-4-11(23-2)26-15(22)9(8)6-24-16(7)27-17-14(21)13(20)12(19)10(5-18)25-17/h3,6-8,10-14,16-21H,1,4-5H2,2H3",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C2C(=O)OC(OC)CC21,C17H24O10,pos_2MHNH3,388.136946968,RAYZRCGMIDUTKS,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera macrantha,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,2,8.0 100018,3892,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,RAYZRCGMIDUTKS-UHFFFAOYSA-N,"InChI=1S/C17H24O10/c1-3-7-8-4-11(23-2)26-15(22)9(8)6-24-16(7)27-17-14(21)13(20)12(19)10(5-18)25-17/h3,6-8,10-14,16-21H,1,4-5H2,2H3",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C2C(=O)OC(OC)CC21,C17H24O10,pos_2MHNH3,388.136946968,RAYZRCGMIDUTKS,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera fulvotomentosa,650610.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera fulvotomentosa'],7,2,8.0 100019,3892,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,RAYZRCGMIDUTKS-UHFFFAOYSA-N,"InChI=1S/C17H24O10/c1-3-7-8-4-11(23-2)26-15(22)9(8)6-24-16(7)27-17-14(21)13(20)12(19)10(5-18)25-17/h3,6-8,10-14,16-21H,1,4-5H2,2H3",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C2C(=O)OC(OC)CC21,C17H24O10,pos_2MHNH3,388.136946968,RAYZRCGMIDUTKS,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera hypoglauca,235196.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera hypoglauca'],7,2,8.0 100020,3892,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,CSKKDSFETGLMSB-UHFFFAOYSA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC=O,C17H24O10,pos_2MHNH3,388.1369469679999,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera morrowii,484242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],7,2,8.0 100021,3892,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,RAYZRCGMIDUTKS-UHFFFAOYSA-N,"InChI=1S/C17H24O10/c1-3-7-8-4-11(23-2)26-15(22)9(8)6-24-16(7)27-17-14(21)13(20)12(19)10(5-18)25-17/h3,6-8,10-14,16-21H,1,4-5H2,2H3",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C2C(=O)OC(OC)CC21,C17H24O10,pos_2MHNH3,388.136946968,RAYZRCGMIDUTKS,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera confusa,594829.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera confusa'],7,2,8.0 100022,3892,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,RAYZRCGMIDUTKS-RJFLBQOQSA-N,"InChI=1S/C17H24O10/c1-3-7-8-4-11(23-2)26-15(22)9(8)6-24-16(7)27-17-14(21)13(20)12(19)10(5-18)25-17/h3,6-8,10-14,16-21H,1,4-5H2,2H3/t7-,8+,10-,11+,12-,13+,14-,16+,17+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)O[C@H](OC)C[C@H]21,C17H24O10,pos_2MHNH3,388.1369469679999,RAYZRCGMIDUTKS,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,2,8.0 100023,3892,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,LPOVXLVQNSEZGE-PMRPVAAPSA-N,"InChI=1S/C17H24O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,10-14,16-18,20-22H,3-4H2,1-2H3/t6-,7+,10+,11+,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1CC(=O)[C@@H]2C,C17H24O10,pos_2MHNH3,388.1369469679999,LPOVXLVQNSEZGE,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera morrowii,484242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],7,2,8.0 100024,3892,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,LPOVXLVQNSEZGE-UHFFFAOYSA-N,"InChI=1S/C17H24O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,10-14,16-18,20-22H,3-4H2,1-2H3",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(C)C(=O)CC12,C17H24O10,pos_2MHNH3,388.1369469679999,LPOVXLVQNSEZGE,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],7,2,8.0 100025,3892,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,LPOVXLVQNSEZGE-PMRPVAAPSA-N,"InChI=1S/C17H24O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,10-14,16-18,20-22H,3-4H2,1-2H3/t6-,7+,10+,11+,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1CC(=O)[C@@H]2C,C17H24O10,pos_2MHNH3,388.1369469679999,LPOVXLVQNSEZGE,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera morrowii,484242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],7,2,8.0 100026,3892,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,LPOVXLVQNSEZGE-UHFFFAOYSA-N,"InChI=1S/C17H24O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,10-14,16-18,20-22H,3-4H2,1-2H3",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(C)C(=O)CC12,C17H24O10,pos_2MHNH3,388.1369469679999,LPOVXLVQNSEZGE,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],7,2,8.0 100027,3892,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,CSKKDSFETGLMSB-NRZPKYKESA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11-,12-,13+,14-,16+,17+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC=O,C17H24O10,pos_2MHNH3,388.1369469679999,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],7,2,8.0 99855,3891,167,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.76793414,ISDB,QUQPHWDTPGMPEX-QJBIFVCTSA-N,"InChI=1S/C28H34O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-7,10,17,19,21-30,32-37H,8-9H2,1-2H3/t10-,17-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1",COc1ccc([C@@H]2CC(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3O2)cc1O,C28H34O15,,610.189770388,QUQPHWDTPGMPEX,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,3,10.571736574172974 99831,3890,173,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,JNNGEAWILNVFFD-CDJYTOATSA-N,"InChI=1S/C16H24O10/c1-5-8(18)2-6-7(14(22)23)4-24-15(10(5)6)26-16-13(21)12(20)11(19)9(3-17)25-16/h4-6,8-13,15-21H,2-3H2,1H3,(H,22,23)/t5-,6+,8-,9+,10+,11+,12-,13+,15-,16-/m0/s1",C[C@@H]1[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)O)[C@H]2C[C@@H]1O,C16H24O10,pos_1_1proton1ammonium,376.1369469679999,JNNGEAWILNVFFD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],8,3,9.5 99832,3890,173,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,JNNGEAWILNVFFD-CDJYTOATSA-N,"InChI=1S/C16H24O10/c1-5-8(18)2-6-7(14(22)23)4-24-15(10(5)6)26-16-13(21)12(20)11(19)9(3-17)25-16/h4-6,8-13,15-21H,2-3H2,1H3,(H,22,23)/t5-,6+,8-,9+,10+,11+,12-,13+,15-,16-/m0/s1",C[C@@H]1[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)O)[C@H]2C[C@@H]1O,C16H24O10,pos_1_1proton1ammonium,376.1369469679999,JNNGEAWILNVFFD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],8,3,9.5 99824,3889,637,Terpenoids,Monoterpenoids,Flavonols,0.29606414,ISDB,RMTHFMSBPWQULL-BJLHFBGVSA-N,"InChI=1S/C18H25NO8S/c1-2-8-9-5-12-19(3-4-28-12)16(24)10(9)7-25-17(8)27-18-15(23)14(22)13(21)11(6-20)26-18/h2,7-9,11-15,17-18,20-23H,1,3-6H2/t8-,9+,11-,12+,13-,14+,15-,17+,18+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)N3CCS[C@H]3C[C@H]21,C18H25NO8S,,415.13008776,RMTHFMSBPWQULL,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera xylosteum,218830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera xylosteum'],8,2,10.184256553649902 99607,3888,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.5092894,ISDB,XFSSKYLJQBBIKJ-UHFFFAOYSA-N,"InChI=1S/C11H12O4/c1-7(2)5-11(14)15-10-6-8(12)3-4-9(10)13/h3-6,12-13H,1-2H3",CC(C)=CC(=O)Oc1cc(O)ccc1O,C11H12O4,,208.073558864,XFSSKYLJQBBIKJ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Calea prunifolia,7606947.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Neurolaeneae'],['Calea'],['Calea prunifolia'],4,3,7.5371575355529785 99608,3888,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.5092894,ISDB,XFSSKYLJQBBIKJ-UHFFFAOYSA-N,"InChI=1S/C11H12O4/c1-7(2)5-11(14)15-10-6-8(12)3-4-9(10)13/h3-6,12-13H,1-2H3",CC(C)=CC(=O)Oc1cc(O)ccc1O,C11H12O4,,208.073558864,XFSSKYLJQBBIKJ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Calea jamaicensis,431707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Neurolaeneae'],['Calea'],['Calea jamaicensis'],4,3,7.5371575355529785 99601,3886,244,Terpenoids,Steroids,Cholestane steroids,0.0,MS1_match,UPJVQRZPXLZUET-KGHQQZOUSA-N,"InChI=1S/C28H46O3/c1-18(2)19(3)7-8-20(4)22-9-10-23-25(22,5)13-12-24-26(6)14-11-21(29)17-27(26,30)15-16-28(23,24)31/h7-8,15-16,18-24,29-31H,9-14,17H2,1-6H3/b8-7+/t19-,20+,21-,22+,23+,24+,25+,26+,27+,28-/m0/s1",CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@]3(O)C=C[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C28H46O3,pos_1_1proton1methanol,430.344695332,UPJVQRZPXLZUET,Terpenoids,Steroids,Cholestane steroids,Patrinia rupestris,1035977.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia rupestris'],6,3,7.5 99591,3885,-1,,,,0.2689721,ISDB,MLHWAKJUYHPYIX-UEEGORRNSA-N,"InChI=1S/C24H38O7/c1-13-7-9-17(11-19-14(2)8-10-18(13)19)24(5,6)31-23-21(27)22(30-16(4)26)20(12-28-23)29-15(3)25/h14,17-23,27H,1,7-12H2,2-6H3/t14-,17+,18-,19-,20+,21-,22+,23+/m0/s1",C=C1CC[C@@H](C(C)(C)O[C@H]2OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2O)C[C@H]2[C@@H](C)CC[C@@H]12,C24H38O7,,438.261753556,MLHWAKJUYHPYIX,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Lessingia glandulifera,1062876.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Lessingia'],['Lessingia glandulifera'],4,0,5.075888395309448 99469,3883,242,Fatty acids,Sesquiterpenoids,Furans,0.7228536,ISDB,JAABKYCBTCTCDQ-BOVGMKJQSA-N,"InChI=1S/C19H30O2/c1-14(2)19(20)21-13-16(4)7-6-8-17(5)18-11-9-15(3)10-12-18/h7,9,11,14,17H,6,8,10,12-13H2,1-5H3/b16-7-/t17-/m1/s1",CC1=CC=C([C@H](C)CC/C=C(/C)COC(=O)C(C)C)CC1,C19H30O2,,290.2245802,JAABKYCBTCTCDQ,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Pulicaria gnaphalodes,3899094.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Pulicaria'],['Pulicaria gnaphalodes'],4,2,7.891414403915405 99462,3882,-1,,,,0.0,MS1_match,IZODPOCIKVLNIL-ZMBMZZJNSA-N,"InChI=1S/C18H28O11/c1-7-12-8(4-11(24-2)27-7)9(16(23)25-3)6-26-17(12)29-18-15(22)14(21)13(20)10(5-19)28-18/h6-8,10-15,17-22H,4-5H2,1-3H3/t7-,8+,10+,11+,12+,13+,14-,15+,17-,18-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H](C)O[C@@H](OC)C[C@H]12,C18H28O11,pos_1_sodium,420.1631617159999,IZODPOCIKVLNIL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia scabra,68239.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia scabra'],6,0,6.0 99463,3882,-1,,,,0.0,MS1_match,IZODPOCIKVLNIL-ZMBMZZJNSA-N,"InChI=1S/C18H28O11/c1-7-12-8(4-11(24-2)27-7)9(16(23)25-3)6-26-17(12)29-18-15(22)14(21)13(20)10(5-19)28-18/h6-8,10-15,17-22H,4-5H2,1-3H3/t7-,8+,10+,11+,12+,13+,14-,15+,17-,18-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H](C)O[C@@H](OC)C[C@H]12,C18H28O11,pos_1_sodium,420.1631617159999,IZODPOCIKVLNIL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia scabra,68239.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia scabra'],6,0,6.0 99464,3882,-1,,,,0.0,MS1_match,IZODPOCIKVLNIL-ZMBMZZJNSA-N,"InChI=1S/C18H28O11/c1-7-12-8(4-11(24-2)27-7)9(16(23)25-3)6-26-17(12)29-18-15(22)14(21)13(20)10(5-19)28-18/h6-8,10-15,17-22H,4-5H2,1-3H3/t7-,8+,10+,11+,12+,13+,14-,15+,17-,18-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H](C)O[C@@H](OC)C[C@H]12,C18H28O11,pos_1_sodium,420.1631617159999,IZODPOCIKVLNIL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia scabra,68239.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia scabra'],6,0,6.0 99400,3881,582,Terpenoids,Diterpenoids,Estrane steroids,0.57136303,ISDB,NPAGDVCDWIYMMC-IZPLOLCNSA-N,"InChI=1S/C18H26O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,13-17,20H,2-9H2,1H3/t13-,14+,15+,16-,17-,18-/m0/s1",C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@H]43)[C@@H]1CC[C@@H]2O,C18H26O2,,274.193280072,NPAGDVCDWIYMMC,Terpenoids,Steroids,Estrane steroids,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],4,3,7.785452127456665 99399,3880,-1,,,,0.34471238,ISDB,OZTNIMLSGDADPT-LNLDCUPPSA-N,"InChI=1S/C34H38O9/c1-20-12-11-17-23-31(20,2)27(42-29(38)22-15-9-6-10-16-22)25(35)33(4)32(23,3)24(41-28(37)21-13-7-5-8-14-21)18-34(43-33)19-40-30(39)26(34)36/h5-10,12-16,23-27,35-36H,11,17-19H2,1-4H3/t23-,24-,25-,26-,27-,31-,32-,33-,34-/m0/s1",CC1=CCC[C@H]2[C@@]1(C)[C@@H](OC(=O)c1ccccc1)[C@H](O)[C@]1(C)O[C@]3(COC(=O)[C@@H]3O)C[C@H](OC(=O)c3ccccc3)[C@]21C,C34H38O9,,590.251582796,OZTNIMLSGDADPT,Terpenoids,,,Scutellaria barbata,1093028.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Scutellaria'],['Scutellaria barbata'],4,0,5.378849506378174 99394,3877,639,Terpenoids,Sesquiterpenoids,Menthane monoterpenoids,0.20991515,ISDB,VESROWPDCSMBRM-RMTQGBGSSA-N,"InChI=1S/C14H22O2/c1-9-4-5-11(8-10(2)15)14-12(9)6-7-13(14,3)16-14/h9,11-12H,4-8H2,1-3H3/t9-,11+,12-,13+,14-/m1/s1",CC(=O)C[C@@H]1CC[C@@H](C)[C@H]2CC[C@]3(C)O[C@]123,C14H22O2,,222.161979944,VESROWPDCSMBRM,Terpenoids,Sesquiterpenoids,Arteminisin,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,2,7.839660584926605 99152,3876,485,Terpenoids,Apocarotenoids,Cinnamic acids and derivatives,0.38413644,ISDB,XEVQXKKKAVVSMW-CPCISQLKSA-N,"InChI=1S/C11H16O3/c1-10(2)5-7(12)6-11(3)8(10)4-9(13)14-11/h4,7,12H,5-6H2,1-3H3/t7-,11-/m0/s1",CC1(C)C[C@H](O)C[C@]2(C)OC(=O)C=C12,C11H16O3,,196.109944372,XEVQXKKKAVVSMW,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Monteverdia apurimacensis,5750133.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Monteverdia'],['Monteverdia apurimacensis'],6,2,8.536545753479004 99148,3873,-1,,,,0.0,MS1_match,YWOADMLJMDWHTM-SDSRGVLNSA-N,"InChI=1S/C49H62O27/c1-12-29-30(13-14-50)32(16-64-46(29)75-48-42(70-27(9)57)40(68-25(7)55)38(66-23(5)53)35(73-48)18-62-21(3)51)45(60)72-34-15-31-33(44(59)61-11)17-65-47(37(31)20(34)2)76-49-43(71-28(10)58)41(69-26(8)56)39(67-24(6)54)36(74-49)19-63-22(4)52/h12,14,16-17,20,29-31,34-43,46-49H,1,13,15,18-19H2,2-11H3/t20-,29+,30-,31+,34-,35+,36+,37+,38+,39+,40-,41-,42+,43+,46-,47-,48-,49-/m0/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)OC=C(C(=O)O[C@H]2C[C@@H]3C(C(=O)OC)=CO[C@@H](O[C@@H]4O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]4OC(C)=O)[C@@H]3[C@H]2C)[C@H]1CC=O,C49H62O27,pos_2_1proton1potassium,1082.3478467240002,YWOADMLJMDWHTM,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Diabelia spathulata,1002192.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Diabelia'],['Diabelia spathulata'],6,0,6.0 99149,3873,-1,,,,0.0,MS1_match,YWOADMLJMDWHTM-SDSRGVLNSA-N,"InChI=1S/C49H62O27/c1-12-29-30(13-14-50)32(16-64-46(29)75-48-42(70-27(9)57)40(68-25(7)55)38(66-23(5)53)35(73-48)18-62-21(3)51)45(60)72-34-15-31-33(44(59)61-11)17-65-47(37(31)20(34)2)76-49-43(71-28(10)58)41(69-26(8)56)39(67-24(6)54)36(74-49)19-63-22(4)52/h12,14,16-17,20,29-31,34-43,46-49H,1,13,15,18-19H2,2-11H3/t20-,29+,30-,31+,34-,35+,36+,37+,38+,39+,40-,41-,42+,43+,46-,47-,48-,49-/m0/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)OC=C(C(=O)O[C@H]2C[C@@H]3C(C(=O)OC)=CO[C@@H](O[C@@H]4O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]4OC(C)=O)[C@@H]3[C@H]2C)[C@H]1CC=O,C49H62O27,pos_2_1proton1potassium,1082.3478467240002,YWOADMLJMDWHTM,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Diabelia serrata,576351.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Diabelia'],['Diabelia serrata'],6,0,6.0 99147,3870,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.3477825,ISDB,,,,,,,AYSWQYNATUUOGQ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.391129970550537 99061,3864,49,Terpenoids,Octadecanoids,Other Octadecanoids,0.70938426,ISDB,ACHDMUPTZYZIGR-JPAZTHTMSA-N,"InChI=1S/C18H28O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h3-4,6,8,11,14H,2,5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b4-3+,8-6+,14-11+",CC/C=C/C/C=C/C=C/C(=O)CCCCCCCC(=O)O,C18H28O3,,292.203844756,ACHDMUPTZYZIGR,Fatty acids,Octadecanoids,Other Octadecanoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],4,3,8.337537050247192 99062,3864,49,Terpenoids,Octadecanoids,Other Octadecanoids,0.70938426,ISDB,ACHDMUPTZYZIGR-CUHSZNQNSA-N,"InChI=1S/C18H28O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h3-4,6,8,11,14H,2,5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b4-3-,8-6-,14-11+",CC/C=C\C/C=C\C=C\C(=O)CCCCCCCC(=O)O,C18H28O3,,292.203844756,ACHDMUPTZYZIGR,Fatty acids,Octadecanoids,Other Octadecanoids,Isatis tinctoria,631500.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Isatideae'],['Isatis'],['Isatis tinctoria'],4,3,8.337537050247192 99051,3862,47,Polyketides,Aromatic polyketides,Catechols with side chains,0.33851403,ISDB,BENPXLIQKFYNHW-UHFFFAOYSA-N,"InChI=1S/C27H46O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)20-24-21-26(29)23-27(30)22-24/h21-23,29-30H,2-20H2,1H3",CCCCCCCCCCCCCCCCCCCC(=O)Cc1cc(O)cc(O)c1,C27H46O3,,418.344695332,BENPXLIQKFYNHW,Polyketides,Aromatic polyketides,Catechols with side chains,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],4,3,6.854056119918823 99052,3862,47,Polyketides,Aromatic polyketides,Catechols with side chains,0.33851403,ISDB,BENPXLIQKFYNHW-UHFFFAOYSA-N,"InChI=1S/C27H46O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)20-24-21-26(29)23-27(30)22-24/h21-23,29-30H,2-20H2,1H3",CCCCCCCCCCCCCCCCCCCC(=O)Cc1cc(O)cc(O)c1,C27H46O3,,418.344695332,BENPXLIQKFYNHW,Polyketides,Aromatic polyketides,Catechols with side chains,Secale cereale,553015.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Secale'],['Secale cereale'],4,3,6.854056119918823 98824,3861,88,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.7253653,ISDB,VEZIKIAGFYZTCI-UHFFFAOYSA-N,"InChI=1S/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3",COC(=O)C=Cc1ccc(OC)cc1,C11H12O3,,192.078644244,VEZIKIAGFYZTCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Piper philippinum,290828.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper nudibaccatum'],4,3,8.401461124420166 98825,3861,88,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.7253653,ISDB,VEZIKIAGFYZTCI-YVMONPNESA-N,"InChI=1S/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3/b8-5-",COC(=O)/C=C\c1ccc(OC)cc1,C11H12O3,,192.078644244,VEZIKIAGFYZTCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Haplophyllum latifolium,762596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Haplophyllum'],['Haplophyllum latifolium'],4,3,8.401461124420166 98826,3861,88,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.7253653,ISDB,VEZIKIAGFYZTCI-UHFFFAOYSA-N,"InChI=1S/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3",COC(=O)C=Cc1ccc(OC)cc1,C11H12O3,,192.078644244,VEZIKIAGFYZTCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Scrophularia buergeriana,764427.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Scrophulariaceae'],['Scrophularieae'],['Scrophularia'],['Scrophularia buergeriana'],4,3,8.401461124420166 98827,3861,88,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.7253653,ISDB,VEZIKIAGFYZTCI-UHFFFAOYSA-N,"InChI=1S/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3",COC(=O)C=Cc1ccc(OC)cc1,C11H12O3,,192.078644244,VEZIKIAGFYZTCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Gmelina asiatica,3883027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Gmelina'],['Gmelina asiatica'],4,3,8.401461124420166 98828,3861,88,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.7253653,ISDB,VEZIKIAGFYZTCI-UHFFFAOYSA-N,"InChI=1S/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3",COC(=O)C=Cc1ccc(OC)cc1,C11H12O3,,192.078644244,VEZIKIAGFYZTCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Sideritis infernalis,218370.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Stachydeae'],['Sideritis'],['Sideritis infernalis'],4,3,8.401461124420166 98829,3861,88,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.7253653,ISDB,VEZIKIAGFYZTCI-UHFFFAOYSA-N,"InChI=1S/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3",COC(=O)C=Cc1ccc(OC)cc1,C11H12O3,,192.078644244,VEZIKIAGFYZTCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Philotheca obovalis,6126545.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Philotheca'],['Philotheca obovalis'],4,3,8.401461124420166 98815,3844,1593,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,0.0,MS1_match,LLTOPKQGFAAMKH-UHFFFAOYSA-N,"InChI=1S/C12H12O4/c1-7-4-8(14-2)5-10-12(7)9(15-3)6-11(13)16-10/h4-6H,1-3H3",COc1cc(C)c2c(OC)cc(=O)oc2c1,C12H12O4,pos_2MH,220.073558864,LLTOPKQGFAAMKH,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Clematis delavayi,72769.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis delavayi'],8,1,8.5 98733,3840,242,Fatty acids,Sesquiterpenoids,Furans,0.76157117,ISDB,PORPGKSIWVNTJC-XTEVQFBVSA-N,"InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h8-15H,2-7,16-17H2,1H3,(H,19,20)/b9-8?,11-10?,13-12?,15-14+",CCCCCCCC=CC=CC=C/C=C/CCC(=O)O,C18H28O2,,276.208930136,PORPGKSIWVNTJC,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Ixora chinensis,319890.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Ixoreae'],['Ixora'],['Ixora chinensis'],4,1,7.5462846755981445 98728,3837,104,Amino acids and Peptides,Small peptides,Dipeptides,0.5830007,ISDB,BQBCIBCLXBKYHW-CSMHCCOUSA-N,"InChI=1S/C10H20N2O4/c1-5(2)4-7(10(15)16)12-9(14)8(11)6(3)13/h5-8,13H,4,11H2,1-3H3,(H,12,14)(H,15,16)/t6-,7+,8+/m1/s1",CC(C)C[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)O,C10H20N2O4,,232.14230712,BQBCIBCLXBKYHW,Amino acids and Peptides,Small peptides,Dipeptides,Valsa sordida,382306.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Diaporthales'],['Valsaceae'],['Unknown'],['Valsa'],['Valsa sordida'],1,3,4.832002878189087 98698,3836,173,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.3718019,ISDB,KGKIGWBYVVWXME-LLVKDONJSA-N,"InChI=1S/C12H22O4/c1-10(13)7-5-3-2-4-6-8-11(14)9-12(15)16/h11,14H,2-9H2,1H3,(H,15,16)/t11-/m1/s1",CC(=O)CCCCCCC[C@@H](O)CC(=O)O,C12H22O4,,230.151809184,KGKIGWBYVVWXME,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Blepharizonia plumosa,1042864.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Madieae'],['Blepharizonia'],['Blepharizonia plumosa'],4,0,5.487207651138306 98653,3835,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton1methanol,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera hypoglauca,235196.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera hypoglauca'],7,3,8.5 98654,3835,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton1methanol,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera macrantha,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 98655,3835,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton1methanol,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera similis,960338.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera similis'],7,3,8.5 98656,3835,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton1methanol,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera dasystyla,960340.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera dasystyla'],7,3,8.5 98657,3835,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton1methanol,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera confusa,594829.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera confusa'],7,3,8.5 98658,3835,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton1methanol,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera fulvotomentosa,650610.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera fulvotomentosa'],7,3,8.5 98659,3835,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton1methanol,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera macrantha,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 98660,3835,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-PNQZTZQXSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14+,16-/m0/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1C[C@](O)(C(=O)O)C[C@H](O)[C@H]1O,C16H18O9,pos_1_1proton1methanol,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera bournei,5746380.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera bournei'],7,3,8.5 98661,3835,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton1methanol,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera implexa,692207.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera implexa'],7,3,8.5 98662,3835,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton1methanol,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera fulvotomentosa,650610.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera fulvotomentosa'],7,3,8.5 98663,3835,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton1methanol,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera confusa,594829.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera confusa'],7,3,8.5 98664,3835,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton1methanol,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 98665,3835,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton1methanol,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera dasystyla,960340.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera dasystyla'],7,3,8.5 98666,3835,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton1methanol,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera similis,960338.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera similis'],7,3,8.5 98667,3835,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-PNQZTZQXSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14+,16-/m0/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1C[C@](O)(C(=O)O)C[C@H](O)[C@H]1O,C16H18O9,pos_1_1proton1methanol,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera bournei,5746380.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera bournei'],7,3,8.5 98668,3835,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton1methanol,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 98669,3835,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GWTUHAXUUFROTF-AVXJPILUSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-16(15(23)24)6-11(19)14(22)12(20)7-16/h1-5,11-12,14,17-20,22H,6-7H2,(H,23,24)/b4-2+/t11-,12-,14?,16?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC1(C(=O)O)C[C@@H](O)C(O)[C@H](O)C1,C16H18O9,pos_1_1proton1methanol,354.0950821559999,GWTUHAXUUFROTF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 98670,3835,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GWTUHAXUUFROTF-AVXJPILUSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-16(15(23)24)6-11(19)14(22)12(20)7-16/h1-5,11-12,14,17-20,22H,6-7H2,(H,23,24)/b4-2+/t11-,12-,14?,16?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC1(C(=O)O)C[C@@H](O)C(O)[C@H](O)C1,C16H18O9,pos_1_1proton1methanol,354.0950821559999,GWTUHAXUUFROTF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 98671,3835,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton1methanol,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera hypoglauca,235196.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera hypoglauca'],7,3,8.5 98672,3835,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton1methanol,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera implexa,692207.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera implexa'],7,3,8.5 98613,3831,-1,,,,0.63994235,ISDB,BVBIFTXWPCRTEX-NRFANRHFSA-N,"InChI=1S/C21H20O6/c1-9-7-12-17(23)15-14(22)8-13-10(2)11(20(25)26-4)5-6-21(13,3)16(15)18(24)19(12)27-9/h7-8,23-24H,5-6H2,1-4H3/t21-/m0/s1",COC(=O)C1=C(C)C2=CC(=O)c3c(c(O)c4oc(C)cc4c3O)[C@@]2(C)CC1,C21H20O6,,368.12598836,BVBIFTXWPCRTEX,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Clerodendrum formicarum,6086187.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Clerodendrum'],['Clerodendrum formicarum'],4,0,6.55976939201355 98263,3829,-1,,,,0.0,MS1_match,RECUKUPTGUEGMW-UHFFFAOYSA-N,"InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-7,11H,1-3H3",Cc1ccc(C(C)C)cc1O,C10H14O,pos_1_1proton,150.104465068,RECUKUPTGUEGMW,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 98264,3829,-1,,,,0.0,MS1_match,HKZQJZIFODOLFR-UHFFFAOYSA-N,"InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h6H,4-5H2,1-3H3",CC1=CC(=O)C(=C(C)C)CC1,C10H14O,pos_1_1proton,150.104465068,HKZQJZIFODOLFR,Terpenoids,Monoterpenoids,,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 98262,3821,-1,,,,0.0,MS1_match,WBCKSAACKDSJQC-UHFFFAOYSA-N,"InChI=1S/C17H22O7/c1-10(2)6-14(20)24-17(8-22-11(3)19)9-23-16(21)15-12(7-18)4-5-13(15)17/h4-5,7,10,15-16,21H,6,8-9H2,1-3H3",CC(=O)OCC1(OC(=O)CC(C)C)COC(O)C2C(C=O)=CC=C21,C17H22O7,pos_2MHCH3CN,338.136553044,WBCKSAACKDSJQC,Terpenoids,,,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 98261,3818,-1,,,,0.37644202,ISDB,,,,,,,QTSYLHMNCMQLOC,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.505768060684204 98237,3816,-1,,,,0.60307825,ISDB,JAKAZHIACKJNNB-RTBURBONSA-N,"InChI=1S/C19H34O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-18(21)15-19(22)16-23-17(2)20/h1,18-19,21-22H,4-16H2,2H3/t18-,19-/m1/s1",C#CCCCCCCCCCCC[C@@H](O)C[C@@H](O)COC(C)=O,C19H34O4,,326.24570956799994,JAKAZHIACKJNNB,Fatty acids,Fatty acyls,Fatty alcohols,Persea americana,913249.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Persea'],['Persea americana'],4,0,6.412312984466553 98235,3814,121,Alkaloids,Lysine alkaloids,Piperidine alkaloids,0.22215451,ISDB,WEVPJDIZBLFOEP-NYQDVAGCSA-N,"InChI=1S/C24H33NO2/c1-16(2)19-11-10-17(3)24(4,21(19)12-13-23(26)27-5)14-18-15-25-22-9-7-6-8-20(18)22/h6-9,15,17,21,25H,10-14H2,1-5H3/t17-,21-,24-/m1/s1",COC(=O)CC[C@@H]1C(=C(C)C)CC[C@@H](C)[C@@]1(C)Cc1c[nH]c2ccccc12,C24H33NO2,,367.25112929599993,WEVPJDIZBLFOEP,,,,Greenwayodendron suaveolens,956932.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Piptostigmateae'],['Greenwayodendron'],['Greenwayodendron suaveolens'],4,0,4.888618052005768 98236,3814,121,Alkaloids,Lysine alkaloids,Piperidine alkaloids,0.22215451,ISDB,WEVPJDIZBLFOEP-NYQDVAGCSA-N,"InChI=1S/C24H33NO2/c1-16(2)19-11-10-17(3)24(4,21(19)12-13-23(26)27-5)14-18-15-25-22-9-7-6-8-20(18)22/h6-9,15,17,21,25H,10-14H2,1-5H3/t17-,21-,24-/m1/s1",COC(=O)CC[C@@H]1C(=C(C)C)CC[C@@H](C)[C@@]1(C)Cc1c[nH]c2ccccc12,C24H33NO2,,367.25112929599993,WEVPJDIZBLFOEP,,,,Polyalthia suaveolens,956932.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Piptostigmateae'],['Greenwayodendron'],['Greenwayodendron suaveolens'],4,0,4.888618052005768 98214,3810,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.28334892,ISDB,GSDRPXSKFIANKI-BEVHKJLDSA-N,"InChI=1S/C12H22O3/c1-8(13)4-5-10-11(15)6-9(14)7-12(10,2)3/h4-5,8-11,13-15H,6-7H2,1-3H3/b5-4+/t8-,9-,10+,11-/m1/s1",C[C@@H](O)/C=C/[C@H]1[C@H](O)C[C@@H](O)CC1(C)C,C12H22O3,,214.156894564,GSDRPXSKFIANKI,Terpenoids,Apocarotenoids,Megastigmanes,Phyllanthus lawii,759796.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Phyllanthus'],['Phyllanthus lawii'],4,1,5.633395671844482 98215,3810,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.28334892,ISDB,GSDRPXSKFIANKI-BEVHKJLDSA-N,"InChI=1S/C12H22O3/c1-8(13)4-5-10-11(15)6-9(14)7-12(10,2)3/h4-5,8-11,13-15H,6-7H2,1-3H3/b5-4+/t8-,9-,10+,11-/m1/s1",C[C@@H](O)/C=C/[C@H]1[C@H](O)C[C@@H](O)CC1(C)C,C12H22O3,,214.156894564,GSDRPXSKFIANKI,Terpenoids,Apocarotenoids,Megastigmanes,Phyllanthus polyphyllus,69050.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Phyllanthus'],['Phyllanthus polyphyllus'],4,1,5.633395671844482 98210,3807,266,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.3143628,ISDB,IBGZNOPZUVZSEJ-XSVWGIRKSA-N,"InChI=1S/C20H27NO11/c22-6-11-13(23)15(25)17(27)19(31-11)29-7-12-14(24)16(26)18(28)20(32-12)30-10-5-21-9-4-2-1-3-8(9)10/h1-5,11-28H,6-7H2/t11-,12-,13-,14-,15+,16+,17-,18-,19-,20-/m1/s1",OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c[nH]c4ccccc34)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,C20H27NO11,,457.158410684,IBGZNOPZUVZSEJ,,,,Calanthe discolor,809338.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Collabieae'],['Calanthe'],['Calanthe discolor'],4,0,5.257451176643372 98208,3803,794,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,0.0,MS1_match,HTKODPPFQUGBMU-GQJRUFTLSA-N,"InChI=1S/C19H30O8/c1-9(20)25-11-7-8-17(5,24)19-14(22)12(16(3,4)27-19)13(26-10(2)21)15(23)18(11,19)6/h11-15,22-24H,7-8H2,1-6H3/t11-,12+,13-,14+,15-,17-,18-,19-/m0/s1",CC(=O)O[C@H]1[C@@H]2[C@@H](O)[C@@]3(OC2(C)C)[C@@](C)([C@@H](OC(C)=O)CC[C@]3(C)O)[C@H]1O,C19H30O8,pos_1_minus1proton2sodium,386.1940679199999,HTKODPPFQUGBMU,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Celastrus vulcanicolus,458835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Celastrus'],['Celastrus vulcanicola'],6,3,7.5 98209,3803,794,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,0.0,MS1_match,HTKODPPFQUGBMU-GQJRUFTLSA-N,"InChI=1S/C19H30O8/c1-9(20)25-11-7-8-17(5,24)19-14(22)12(16(3,4)27-19)13(26-10(2)21)15(23)18(11,19)6/h11-15,22-24H,7-8H2,1-6H3/t11-,12+,13-,14+,15-,17-,18-,19-/m0/s1",CC(=O)O[C@H]1[C@@H]2[C@@H](O)[C@@]3(OC2(C)C)[C@@](C)([C@@H](OC(C)=O)CC[C@]3(C)O)[C@H]1O,C19H30O8,pos_1_minus1proton2sodium,386.1940679199999,HTKODPPFQUGBMU,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Celastrus vulcanicola,458835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Celastrus'],['Celastrus vulcanicola'],6,3,7.5 98204,3802,-1,,,,0.0,MS1_match,YUTFBICAYRWLGQ-UHFFFAOYSA-N,"InChI=1S/C11H14O4/c1-13-10(12)8-4-6-9(7-5-8)11(14-2)15-3/h4-7,11H,1-3H3",COC(=O)c1ccc(C(OC)OC)cc1,C11H14O4,pos_1_1proton2acetonitrile,210.089208928,YUTFBICAYRWLGQ,Shikimates and Phenylpropanoids,,,Aconitum lethale,6131432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum lethale'],6,0,6.0 98205,3802,-1,,,,0.0,MS1_match,YUTFBICAYRWLGQ-UHFFFAOYSA-N,"InChI=1S/C11H14O4/c1-13-10(12)8-4-6-9(7-5-8)11(14-2)15-3/h4-7,11H,1-3H3",COC(=O)c1ccc(C(OC)OC)cc1,C11H14O4,pos_1_1proton2acetonitrile,210.089208928,YUTFBICAYRWLGQ,Shikimates and Phenylpropanoids,,,Aconitum falconeri,6131385.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum falconeri'],6,0,6.0 98206,3802,-1,,,,0.0,MS1_match,KBMHMJUDNKXZBG-UHFFFAOYSA-N,"InChI=1S/C13H17NO4/c1-14-6-5-8-9(13(14)15)7-10(16-2)12(18-4)11(8)17-3/h7H,5-6H2,1-4H3",COc1cc2c(c(OC)c1OC)CCN(C)C2=O,C13H17NO4,pos_1_1proton1acetonitrile,251.115758024,KBMHMJUDNKXZBG,Alkaloids,,,Thalictrum fendleri,500543.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum fendleri'],6,0,6.0 98207,3802,-1,,,,0.0,MS1_match,LNLNPACYBBAULC-KVUDJWBSSA-N,"InChI=1S/C31H44N2O6/c1-5-33-16-29(39-15-22(34)17-8-6-7-9-21(17)32)11-10-25(37-3)31-19-12-18-23(36-2)14-30(35,26(19)27(18)38-4)20(28(31)33)13-24(29)31/h6-9,18-20,23-28,35H,5,10-16,32H2,1-4H3/t18-,19-,20+,23+,24-,25+,26-,27+,28-,29-,30+,31-/m1/s1",CCN1C[C@]2(OCC(=O)c3ccccc3N)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C31H44N2O6,pos_2_2sodium,540.3199371279999,LNLNPACYBBAULC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium crispulum,309502.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium crispulum'],6,0,6.0 98197,3798,-1,,,,0.614978,ISDB,QUHIFZVMNSLMAB-ZEBSVQATSA-N,"InChI=1S/C15H23ClO5/c1-12(2)10(16)7(17)5-13(3)9(11(18)19)14(4,20)6-8-15(12,13)21-8/h7-10,17,20H,5-6H2,1-4H3,(H,18,19)/t7-,8-,9+,10-,13+,14+,15+/m0/s1",CC1(C)[C@@H](Cl)[C@@H](O)C[C@]2(C)[C@@H](C(=O)O)[C@](C)(O)C[C@@H]3O[C@]312,C15H23ClO5,,318.123401516,QUHIFZVMNSLMAB,Terpenoids,Sesquiterpenoids,Brasilane sesquiterpenoids,Adenocarpus foliolosus,834501.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Adenocarpus'],['Adenocarpus foliolosus'],4,0,6.459912061691284 98162,3796,-1,,,,0.0,MS1_match,SVQMVSCWYACSCP-KYJUHHDHSA-N,"InChI=1S/C39H44N2O7/c1-40-17-15-27-28-22-34(44-5)37(45-6)36(27)48-39-35-25(21-33(43-4)38(39)46-7)14-16-41(2)30(35)19-24-10-13-31(42-3)32(20-24)47-26-11-8-23(9-12-26)18-29(28)40/h8-13,20-22,29-30H,14-19H2,1-7H3/t29-,30-/m0/s1",COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(OC)c(OC)c(c3CCN1C)Oc1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3,C39H44N2O7,pos_2_2proton2acetonitrile,652.3148517479999,SVQMVSCWYACSCP,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Thalictrum dasycarpum,421841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum dasycarpum'],6,0,6.0 98163,3796,-1,,,,0.0,MS1_match,FUZMQNZACIFDBL-UHFFFAOYSA-N,"InChI=1S/C39H44N2O7/c1-40-16-14-25-21-32(43-4)34-22-28(25)29(40)18-23-8-11-26(12-9-23)47-33-20-24(10-13-31(33)42-3)19-30-35-27(15-17-41(30)2)36(44-5)38(45-6)39(46-7)37(35)48-34/h8-13,20-22,29-30H,14-19H2,1-7H3",COc1ccc2cc1Oc1ccc(cc1)CC1c3cc(c(OC)cc3CCN1C)Oc1c(OC)c(OC)c(OC)c3c1C(C2)N(C)CC3,C39H44N2O7,pos_2_2proton2acetonitrile,652.314851748,FUZMQNZACIFDBL,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Thalictrum faberi,6133309.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum faberi'],6,0,6.0 98164,3796,-1,,,,0.0,MS1_match,FUZMQNZACIFDBL-UHFFFAOYSA-N,"InChI=1S/C39H44N2O7/c1-40-16-14-25-21-32(43-4)34-22-28(25)29(40)18-23-8-11-26(12-9-23)47-33-20-24(10-13-31(33)42-3)19-30-35-27(15-17-41(30)2)36(44-5)38(45-6)39(46-7)37(35)48-34/h8-13,20-22,29-30H,14-19H2,1-7H3",COc1ccc2cc1Oc1ccc(cc1)CC1c3cc(c(OC)cc3CCN1C)Oc1c(OC)c(OC)c(OC)c3c1C(C2)N(C)CC3,C39H44N2O7,pos_2_2proton2acetonitrile,652.314851748,FUZMQNZACIFDBL,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Thalictrum microgynum,6133338.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum microgynum'],6,0,6.0 98165,3796,-1,,,,0.0,MS1_match,FUZMQNZACIFDBL-KYJUHHDHSA-N,"InChI=1S/C39H44N2O7/c1-40-16-14-25-21-32(43-4)34-22-28(25)29(40)18-23-8-11-26(12-9-23)47-33-20-24(10-13-31(33)42-3)19-30-35-27(15-17-41(30)2)36(44-5)38(45-6)39(46-7)37(35)48-34/h8-13,20-22,29-30H,14-19H2,1-7H3/t29-,30-/m0/s1",COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CCN1C)Oc1c(OC)c(OC)c(OC)c3c1[C@H](C2)N(C)CC3,C39H44N2O7,pos_2_2proton2acetonitrile,652.314851748,FUZMQNZACIFDBL,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Thalictrum foetidum,98303.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum foetidum'],6,0,6.0 98166,3796,-1,,,,0.0,MS1_match,FUZMQNZACIFDBL-KYJUHHDHSA-N,"InChI=1S/C39H44N2O7/c1-40-16-14-25-21-32(43-4)34-22-28(25)29(40)18-23-8-11-26(12-9-23)47-33-20-24(10-13-31(33)42-3)19-30-35-27(15-17-41(30)2)36(44-5)38(45-6)39(46-7)37(35)48-34/h8-13,20-22,29-30H,14-19H2,1-7H3/t29-,30-/m0/s1",COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CCN1C)Oc1c(OC)c(OC)c(OC)c3c1[C@H](C2)N(C)CC3,C39H44N2O7,pos_2_2proton2acetonitrile,652.314851748,FUZMQNZACIFDBL,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Thalictrum sultanabadense,6133383.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum sultanabadense'],6,0,6.0 98167,3796,-1,,,,0.0,MS1_match,FUZMQNZACIFDBL-KYJUHHDHSA-N,"InChI=1S/C39H44N2O7/c1-40-16-14-25-21-32(43-4)34-22-28(25)29(40)18-23-8-11-26(12-9-23)47-33-20-24(10-13-31(33)42-3)19-30-35-27(15-17-41(30)2)36(44-5)38(45-6)39(46-7)37(35)48-34/h8-13,20-22,29-30H,14-19H2,1-7H3/t29-,30-/m0/s1",COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CCN1C)Oc1c(OC)c(OC)c(OC)c3c1[C@H](C2)N(C)CC3,C39H44N2O7,pos_2_2proton2acetonitrile,652.314851748,FUZMQNZACIFDBL,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Thalictrum flavum,250783.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum flavum'],6,0,6.0 98168,3796,-1,,,,0.0,MS1_match,FUZMQNZACIFDBL-KYJUHHDHSA-N,"InChI=1S/C39H44N2O7/c1-40-16-14-25-21-32(43-4)34-22-28(25)29(40)18-23-8-11-26(12-9-23)47-33-20-24(10-13-31(33)42-3)19-30-35-27(15-17-41(30)2)36(44-5)38(45-6)39(46-7)37(35)48-34/h8-13,20-22,29-30H,14-19H2,1-7H3/t29-,30-/m0/s1",COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CCN1C)Oc1c(OC)c(OC)c(OC)c3c1[C@H](C2)N(C)CC3,C39H44N2O7,pos_2_2proton2acetonitrile,652.314851748,FUZMQNZACIFDBL,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Thalictrum lankesteri,782608.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum lankesteri'],6,0,6.0 98169,3796,-1,,,,0.0,MS1_match,FUZMQNZACIFDBL-UHFFFAOYSA-N,"InChI=1S/C39H44N2O7/c1-40-16-14-25-21-32(43-4)34-22-28(25)29(40)18-23-8-11-26(12-9-23)47-33-20-24(10-13-31(33)42-3)19-30-35-27(15-17-41(30)2)36(44-5)38(45-6)39(46-7)37(35)48-34/h8-13,20-22,29-30H,14-19H2,1-7H3",COc1ccc2cc1Oc1ccc(cc1)CC1c3cc(c(OC)cc3CCN1C)Oc1c(OC)c(OC)c(OC)c3c1C(C2)N(C)CC3,C39H44N2O7,pos_2_2proton2acetonitrile,652.314851748,FUZMQNZACIFDBL,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Thalictrum petaloideum,977693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum petaloideum'],6,0,6.0 98170,3796,-1,,,,0.0,MS1_match,HKAAPKXOAPZXLY-KYJUHHDHSA-N,"InChI=1S/C39H44N2O7/c1-40-16-14-25-21-32(43-4)34-22-28(25)29(40)19-24-10-13-31(42-3)33(20-24)47-26-11-8-23(9-12-26)18-30-35-27(15-17-41(30)2)36(44-5)38(45-6)39(46-7)37(35)48-34/h8-13,20-22,29-30H,14-19H2,1-7H3/t29-,30-/m0/s1",COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(c(OC)c(OC)c(OC)c3Oc3cc4c(cc3OC)CCN(C)[C@H]4C2)CCN1C,C39H44N2O7,pos_2_2proton2acetonitrile,652.314851748,HKAAPKXOAPZXLY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Thalictrum alpinum,468431.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum alpinum'],6,0,6.0 98171,3796,-1,,,,0.0,MS1_match,HKAAPKXOAPZXLY-KYJUHHDHSA-N,"InChI=1S/C39H44N2O7/c1-40-16-14-25-21-32(43-4)34-22-28(25)29(40)19-24-10-13-31(42-3)33(20-24)47-26-11-8-23(9-12-26)18-30-35-27(15-17-41(30)2)36(44-5)38(45-6)39(46-7)37(35)48-34/h8-13,20-22,29-30H,14-19H2,1-7H3/t29-,30-/m0/s1",COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(c(OC)c(OC)c(OC)c3Oc3cc4c(cc3OC)CCN(C)[C@H]4C2)CCN1C,C39H44N2O7,pos_2_2proton2acetonitrile,652.314851748,HKAAPKXOAPZXLY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Thalictrum cultratum,583170.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum cultratum'],6,0,6.0 98172,3796,-1,,,,0.0,MS1_match,HKAAPKXOAPZXLY-KYJUHHDHSA-N,"InChI=1S/C39H44N2O7/c1-40-16-14-25-21-32(43-4)34-22-28(25)29(40)19-24-10-13-31(42-3)33(20-24)47-26-11-8-23(9-12-26)18-30-35-27(15-17-41(30)2)36(44-5)38(45-6)39(46-7)37(35)48-34/h8-13,20-22,29-30H,14-19H2,1-7H3/t29-,30-/m0/s1",COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(c(OC)c(OC)c(OC)c3Oc3cc4c(cc3OC)CCN(C)[C@H]4C2)CCN1C,C39H44N2O7,pos_2_2proton2acetonitrile,652.314851748,HKAAPKXOAPZXLY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Thalictrum dasycarpum,421841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum dasycarpum'],6,0,6.0 98173,3796,-1,,,,0.0,MS1_match,HKAAPKXOAPZXLY-KYJUHHDHSA-N,"InChI=1S/C39H44N2O7/c1-40-16-14-25-21-32(43-4)34-22-28(25)29(40)19-24-10-13-31(42-3)33(20-24)47-26-11-8-23(9-12-26)18-30-35-27(15-17-41(30)2)36(44-5)38(45-6)39(46-7)37(35)48-34/h8-13,20-22,29-30H,14-19H2,1-7H3/t29-,30-/m0/s1",COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(c(OC)c(OC)c(OC)c3Oc3cc4c(cc3OC)CCN(C)[C@H]4C2)CCN1C,C39H44N2O7,pos_2_2proton2acetonitrile,652.314851748,HKAAPKXOAPZXLY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Thalictrum rugosum,421841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum dasycarpum'],6,0,6.0 98174,3796,-1,,,,0.0,MS1_match,HKAAPKXOAPZXLY-KYJUHHDHSA-N,"InChI=1S/C39H44N2O7/c1-40-16-14-25-21-32(43-4)34-22-28(25)29(40)19-24-10-13-31(42-3)33(20-24)47-26-11-8-23(9-12-26)18-30-35-27(15-17-41(30)2)36(44-5)38(45-6)39(46-7)37(35)48-34/h8-13,20-22,29-30H,14-19H2,1-7H3/t29-,30-/m0/s1",COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(c(OC)c(OC)c(OC)c3Oc3cc4c(cc3OC)CCN(C)[C@H]4C2)CCN1C,C39H44N2O7,pos_2_2proton2acetonitrile,652.314851748,HKAAPKXOAPZXLY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Thalictrum javanicum,124737.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum javanicum'],6,0,6.0 98175,3796,-1,,,,0.0,MS1_match,HKAAPKXOAPZXLY-KYJUHHDHSA-N,"InChI=1S/C39H44N2O7/c1-40-16-14-25-21-32(43-4)34-22-28(25)29(40)19-24-10-13-31(42-3)33(20-24)47-26-11-8-23(9-12-26)18-30-35-27(15-17-41(30)2)36(44-5)38(45-6)39(46-7)37(35)48-34/h8-13,20-22,29-30H,14-19H2,1-7H3/t29-,30-/m0/s1",COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(c(OC)c(OC)c(OC)c3Oc3cc4c(cc3OC)CCN(C)[C@H]4C2)CCN1C,C39H44N2O7,pos_2_2proton2acetonitrile,652.314851748,HKAAPKXOAPZXLY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Thalictrum revolutum,421843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum revolutum'],6,0,6.0 98176,3796,-1,,,,0.0,MS1_match,GZMWREWTPLOYPS-KYJUHHDHSA-N,"InChI=1S/C39H44N2O7/c1-40-14-12-23-17-32(43-3)31(42)20-26(23)29(40)16-22-8-10-25(11-9-22)48-37-28-19-30-35-24(13-15-41(30)2)18-33(44-4)38(46-6)36(35)27(28)21-34(45-5)39(37)47-7/h8-11,17-18,20-21,29-30,42H,12-16,19H2,1-7H3/t29-,30-/m0/s1",COc1cc2c(cc1O)[C@H](Cc1ccc(Oc3c4c(cc(OC)c3OC)-c3c(OC)c(OC)cc5c3[C@H](C4)N(C)CC5)cc1)N(C)CC2,C39H44N2O7,pos_2_2proton2acetonitrile,652.314851748,GZMWREWTPLOYPS,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Thalictrum faberi,6133309.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum faberi'],6,0,6.0 98177,3796,-1,,,,0.0,MS1_match,HKAAPKXOAPZXLY-KYJUHHDHSA-N,"InChI=1S/C39H44N2O7/c1-40-16-14-25-21-32(43-4)34-22-28(25)29(40)19-24-10-13-31(42-3)33(20-24)47-26-11-8-23(9-12-26)18-30-35-27(15-17-41(30)2)36(44-5)38(45-6)39(46-7)37(35)48-34/h8-13,20-22,29-30H,14-19H2,1-7H3/t29-,30-/m0/s1",COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(c(OC)c(OC)c(OC)c3Oc3cc4c(cc3OC)CCN(C)[C@H]4C2)CCN1C,C39H44N2O7,pos_2_2proton2acetonitrile,652.314851748,HKAAPKXOAPZXLY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Thalictrum foetidum,98303.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum foetidum'],6,0,6.0 98178,3796,-1,,,,0.0,MS1_match,GZMWREWTPLOYPS-UHFFFAOYSA-N,"InChI=1S/C39H44N2O7/c1-40-14-12-23-17-32(43-3)31(42)20-26(23)29(40)16-22-8-10-25(11-9-22)48-37-28-19-30-35-24(13-15-41(30)2)18-33(44-4)38(46-6)36(35)27(28)21-34(45-5)39(37)47-7/h8-11,17-18,20-21,29-30,42H,12-16,19H2,1-7H3",COc1cc2c(cc1O)C(Cc1ccc(Oc3c4c(cc(OC)c3OC)-c3c(OC)c(OC)cc5c3C(C4)N(C)CC5)cc1)N(C)CC2,C39H44N2O7,pos_2_2proton2acetonitrile,652.314851748,GZMWREWTPLOYPS,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Thalictrum cultratum,583170.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum cultratum'],6,0,6.0 98179,3796,-1,,,,0.0,MS1_match,FUZMQNZACIFDBL-UHFFFAOYSA-N,"InChI=1S/C39H44N2O7/c1-40-16-14-25-21-32(43-4)34-22-28(25)29(40)18-23-8-11-26(12-9-23)47-33-20-24(10-13-31(33)42-3)19-30-35-27(15-17-41(30)2)36(44-5)38(45-6)39(46-7)37(35)48-34/h8-13,20-22,29-30H,14-19H2,1-7H3",COc1ccc2cc1Oc1ccc(cc1)CC1c3cc(c(OC)cc3CCN1C)Oc1c(OC)c(OC)c(OC)c3c1C(C2)N(C)CC3,C39H44N2O7,pos_2_2proton2acetonitrile,652.314851748,FUZMQNZACIFDBL,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Thalictrum hernandezii,98299.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum hernandezii'],6,0,6.0 98180,3796,-1,,,,0.0,MS1_match,FUZMQNZACIFDBL-UHFFFAOYSA-N,"InChI=1S/C39H44N2O7/c1-40-16-14-25-21-32(43-4)34-22-28(25)29(40)18-23-8-11-26(12-9-23)47-33-20-24(10-13-31(33)42-3)19-30-35-27(15-17-41(30)2)36(44-5)38(45-6)39(46-7)37(35)48-34/h8-13,20-22,29-30H,14-19H2,1-7H3",COc1ccc2cc1Oc1ccc(cc1)CC1c3cc(c(OC)cc3CCN1C)Oc1c(OC)c(OC)c(OC)c3c1C(C2)N(C)CC3,C39H44N2O7,pos_2_2proton2acetonitrile,652.314851748,FUZMQNZACIFDBL,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Thalictrum atriplex,871204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum atriplex'],6,0,6.0 98181,3796,-1,,,,0.0,MS1_match,SVQMVSCWYACSCP-KYJUHHDHSA-N,"InChI=1S/C39H44N2O7/c1-40-17-15-27-28-22-34(44-5)37(45-6)36(27)48-39-35-25(21-33(43-4)38(39)46-7)14-16-41(2)30(35)19-24-10-13-31(42-3)32(20-24)47-26-11-8-23(9-12-26)18-29(28)40/h8-13,20-22,29-30H,14-19H2,1-7H3/t29-,30-/m0/s1",COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(OC)c(OC)c(c3CCN1C)Oc1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3,C39H44N2O7,pos_2_2proton2acetonitrile,652.3148517479999,SVQMVSCWYACSCP,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Thalictrum alpinum,468431.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum alpinum'],6,0,6.0 98182,3796,-1,,,,0.0,MS1_match,SVQMVSCWYACSCP-KYJUHHDHSA-N,"InChI=1S/C39H44N2O7/c1-40-17-15-27-28-22-34(44-5)37(45-6)36(27)48-39-35-25(21-33(43-4)38(39)46-7)14-16-41(2)30(35)19-24-10-13-31(42-3)32(20-24)47-26-11-8-23(9-12-26)18-29(28)40/h8-13,20-22,29-30H,14-19H2,1-7H3/t29-,30-/m0/s1",COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(OC)c(OC)c(c3CCN1C)Oc1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3,C39H44N2O7,pos_2_2proton2acetonitrile,652.3148517479999,SVQMVSCWYACSCP,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Thalictrum foetidum,98303.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum foetidum'],6,0,6.0 98183,3796,-1,,,,0.0,MS1_match,SVQMVSCWYACSCP-KYJUHHDHSA-N,"InChI=1S/C39H44N2O7/c1-40-17-15-27-28-22-34(44-5)37(45-6)36(27)48-39-35-25(21-33(43-4)38(39)46-7)14-16-41(2)30(35)19-24-10-13-31(42-3)32(20-24)47-26-11-8-23(9-12-26)18-29(28)40/h8-13,20-22,29-30H,14-19H2,1-7H3/t29-,30-/m0/s1",COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(OC)c(OC)c(c3CCN1C)Oc1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3,C39H44N2O7,pos_2_2proton2acetonitrile,652.3148517479999,SVQMVSCWYACSCP,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Thalictrum flavum,250783.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum flavum'],6,0,6.0 98184,3796,-1,,,,0.0,MS1_match,SVQMVSCWYACSCP-KYJUHHDHSA-N,"InChI=1S/C39H44N2O7/c1-40-17-15-27-28-22-34(44-5)37(45-6)36(27)48-39-35-25(21-33(43-4)38(39)46-7)14-16-41(2)30(35)19-24-10-13-31(42-3)32(20-24)47-26-11-8-23(9-12-26)18-29(28)40/h8-13,20-22,29-30H,14-19H2,1-7H3/t29-,30-/m0/s1",COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(OC)c(OC)c(c3CCN1C)Oc1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3,C39H44N2O7,pos_2_2proton2acetonitrile,652.3148517479999,SVQMVSCWYACSCP,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Thalictrum minus,491705.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum minus'],6,0,6.0 98185,3796,-1,,,,0.0,MS1_match,SVQMVSCWYACSCP-KYJUHHDHSA-N,"InChI=1S/C39H44N2O7/c1-40-17-15-27-28-22-34(44-5)37(45-6)36(27)48-39-35-25(21-33(43-4)38(39)46-7)14-16-41(2)30(35)19-24-10-13-31(42-3)32(20-24)47-26-11-8-23(9-12-26)18-29(28)40/h8-13,20-22,29-30H,14-19H2,1-7H3/t29-,30-/m0/s1",COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(OC)c(OC)c(c3CCN1C)Oc1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3,C39H44N2O7,pos_2_2proton2acetonitrile,652.3148517479999,SVQMVSCWYACSCP,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Thalictrum foliolosum,124406.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum foliolosum'],6,0,6.0 98186,3796,-1,,,,0.0,MS1_match,SVQMVSCWYACSCP-KYJUHHDHSA-N,"InChI=1S/C39H44N2O7/c1-40-17-15-27-28-22-34(44-5)37(45-6)36(27)48-39-35-25(21-33(43-4)38(39)46-7)14-16-41(2)30(35)19-24-10-13-31(42-3)32(20-24)47-26-11-8-23(9-12-26)18-29(28)40/h8-13,20-22,29-30H,14-19H2,1-7H3/t29-,30-/m0/s1",COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(OC)c(OC)c(c3CCN1C)Oc1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3,C39H44N2O7,pos_2_2proton2acetonitrile,652.3148517479999,SVQMVSCWYACSCP,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Thalictrum fargesii,124386.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum fargesii'],6,0,6.0 98187,3796,-1,,,,0.0,MS1_match,FUZMQNZACIFDBL-UHFFFAOYSA-N,"InChI=1S/C39H44N2O7/c1-40-16-14-25-21-32(43-4)34-22-28(25)29(40)18-23-8-11-26(12-9-23)47-33-20-24(10-13-31(33)42-3)19-30-35-27(15-17-41(30)2)36(44-5)38(45-6)39(46-7)37(35)48-34/h8-13,20-22,29-30H,14-19H2,1-7H3",COc1ccc2cc1Oc1ccc(cc1)CC1c3cc(c(OC)cc3CCN1C)Oc1c(OC)c(OC)c(OC)c3c1C(C2)N(C)CC3,C39H44N2O7,pos_2_2proton2acetonitrile,652.314851748,FUZMQNZACIFDBL,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Thalictrum simplex,243507.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum simplex'],6,0,6.0 98188,3796,-1,,,,0.0,MS1_match,SVQMVSCWYACSCP-KYJUHHDHSA-N,"InChI=1S/C39H44N2O7/c1-40-17-15-27-28-22-34(44-5)37(45-6)36(27)48-39-35-25(21-33(43-4)38(39)46-7)14-16-41(2)30(35)19-24-10-13-31(42-3)32(20-24)47-26-11-8-23(9-12-26)18-29(28)40/h8-13,20-22,29-30H,14-19H2,1-7H3/t29-,30-/m0/s1",COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(OC)c(OC)c(c3CCN1C)Oc1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3,C39H44N2O7,pos_2_2proton2acetonitrile,652.3148517479999,SVQMVSCWYACSCP,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Thalictrum cultratum,583170.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum cultratum'],6,0,6.0 98189,3796,-1,,,,0.0,MS1_match,FUZMQNZACIFDBL-KYJUHHDHSA-N,"InChI=1S/C39H44N2O7/c1-40-16-14-25-21-32(43-4)34-22-28(25)29(40)18-23-8-11-26(12-9-23)47-33-20-24(10-13-31(33)42-3)19-30-35-27(15-17-41(30)2)36(44-5)38(45-6)39(46-7)37(35)48-34/h8-13,20-22,29-30H,14-19H2,1-7H3/t29-,30-/m0/s1",COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CCN1C)Oc1c(OC)c(OC)c(OC)c3c1[C@H](C2)N(C)CC3,C39H44N2O7,pos_2_2proton2acetonitrile,652.314851748,FUZMQNZACIFDBL,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Thalictrum delavayi,619774.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum delavayi'],6,0,6.0 98190,3796,-1,,,,0.0,MS1_match,FUZMQNZACIFDBL-KYJUHHDHSA-N,"InChI=1S/C39H44N2O7/c1-40-16-14-25-21-32(43-4)34-22-28(25)29(40)18-23-8-11-26(12-9-23)47-33-20-24(10-13-31(33)42-3)19-30-35-27(15-17-41(30)2)36(44-5)38(45-6)39(46-7)37(35)48-34/h8-13,20-22,29-30H,14-19H2,1-7H3/t29-,30-/m0/s1",COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CCN1C)Oc1c(OC)c(OC)c(OC)c3c1[C@H](C2)N(C)CC3,C39H44N2O7,pos_2_2proton2acetonitrile,652.314851748,FUZMQNZACIFDBL,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Thalictrum glandulosissimum,5728052.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum glandulosissimum'],6,0,6.0 98191,3796,-1,,,,0.0,MS1_match,FUZMQNZACIFDBL-KYJUHHDHSA-N,"InChI=1S/C39H44N2O7/c1-40-16-14-25-21-32(43-4)34-22-28(25)29(40)18-23-8-11-26(12-9-23)47-33-20-24(10-13-31(33)42-3)19-30-35-27(15-17-41(30)2)36(44-5)38(45-6)39(46-7)37(35)48-34/h8-13,20-22,29-30H,14-19H2,1-7H3/t29-,30-/m0/s1",COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CCN1C)Oc1c(OC)c(OC)c(OC)c3c1[C@H](C2)N(C)CC3,C39H44N2O7,pos_2_2proton2acetonitrile,652.314851748,FUZMQNZACIFDBL,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Thalictrum alpinum,468431.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum alpinum'],6,0,6.0 98192,3796,-1,,,,0.0,MS1_match,FUZMQNZACIFDBL-KYJUHHDHSA-N,"InChI=1S/C39H44N2O7/c1-40-16-14-25-21-32(43-4)34-22-28(25)29(40)18-23-8-11-26(12-9-23)47-33-20-24(10-13-31(33)42-3)19-30-35-27(15-17-41(30)2)36(44-5)38(45-6)39(46-7)37(35)48-34/h8-13,20-22,29-30H,14-19H2,1-7H3/t29-,30-/m0/s1",COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CCN1C)Oc1c(OC)c(OC)c(OC)c3c1[C@H](C2)N(C)CC3,C39H44N2O7,pos_2_2proton2acetonitrile,652.314851748,FUZMQNZACIFDBL,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Thalictrum podocarpum,119512.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum podocarpum'],6,0,6.0 98193,3796,-1,,,,0.0,MS1_match,FUZMQNZACIFDBL-UHFFFAOYSA-N,"InChI=1S/C39H44N2O7/c1-40-16-14-25-21-32(43-4)34-22-28(25)29(40)18-23-8-11-26(12-9-23)47-33-20-24(10-13-31(33)42-3)19-30-35-27(15-17-41(30)2)36(44-5)38(45-6)39(46-7)37(35)48-34/h8-13,20-22,29-30H,14-19H2,1-7H3",COc1ccc2cc1Oc1ccc(cc1)CC1c3cc(c(OC)cc3CCN1C)Oc1c(OC)c(OC)c(OC)c3c1C(C2)N(C)CC3,C39H44N2O7,pos_2_2proton2acetonitrile,652.314851748,FUZMQNZACIFDBL,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Thalictrum minus var. hypoleucum,300814.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum minus'],6,0,6.0 98194,3796,-1,,,,0.0,MS1_match,FUZMQNZACIFDBL-UHFFFAOYSA-N,"InChI=1S/C39H44N2O7/c1-40-16-14-25-21-32(43-4)34-22-28(25)29(40)18-23-8-11-26(12-9-23)47-33-20-24(10-13-31(33)42-3)19-30-35-27(15-17-41(30)2)36(44-5)38(45-6)39(46-7)37(35)48-34/h8-13,20-22,29-30H,14-19H2,1-7H3",COc1ccc2cc1Oc1ccc(cc1)CC1c3cc(c(OC)cc3CCN1C)Oc1c(OC)c(OC)c(OC)c3c1C(C2)N(C)CC3,C39H44N2O7,pos_2_2proton2acetonitrile,652.314851748,FUZMQNZACIFDBL,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Thalictrum foliolosum,124406.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum foliolosum'],6,0,6.0 98195,3796,-1,,,,0.0,MS1_match,FUZMQNZACIFDBL-KYJUHHDHSA-N,"InChI=1S/C39H44N2O7/c1-40-16-14-25-21-32(43-4)34-22-28(25)29(40)18-23-8-11-26(12-9-23)47-33-20-24(10-13-31(33)42-3)19-30-35-27(15-17-41(30)2)36(44-5)38(45-6)39(46-7)37(35)48-34/h8-13,20-22,29-30H,14-19H2,1-7H3/t29-,30-/m0/s1",COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CCN1C)Oc1c(OC)c(OC)c(OC)c3c1[C@H](C2)N(C)CC3,C39H44N2O7,pos_2_2proton2acetonitrile,652.314851748,FUZMQNZACIFDBL,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Thalictrum fendleri,500543.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum fendleri'],6,0,6.0 98196,3796,-1,,,,0.0,MS1_match,DNVRACCNTZAQFE-ACHIHNKUSA-N,"InChI=1S/C39H44N2O7/c1-40-15-13-26-20-34(43-4)35(44-5)21-29(26)31(40)18-25-9-12-33(42-3)36(19-25)48-27-10-7-24(8-11-27)17-32-30-22-37-39(47-23-46-37)38(45-6)28(30)14-16-41(32)2/h7-12,19-22,31-32H,13-18,23H2,1-6H3/t31-,32-/m0/s1",COc1cc2c(cc1OC)[C@H](Cc1ccc(OC)c(Oc3ccc(C[C@H]4c5cc6c(c(OC)c5CCN4C)OCO6)cc3)c1)N(C)CC2,C39H44N2O7,pos_2_2proton2acetonitrile,652.314851748,DNVRACCNTZAQFE,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Thalictrum atriplex,871204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum atriplex'],6,0,6.0 98157,3795,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,BKKCPVJHKOCEPK-KVJIRVJXSA-N,"InChI=1S/C22H32O9/c1-12(2)6-18(25)30-17-8-16-15(9-28-14(5)24)10-29-21(20(16)22(17,27)11-23)31-19(26)7-13(3)4/h8,10,12-13,17,20-21,23,27H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]2(O)CO,C22H32O9,pos_1_sodium,440.2046326039999,BKKCPVJHKOCEPK,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,0,6.0 98158,3795,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,BKKCPVJHKOCEPK-KVJIRVJXSA-N,"InChI=1S/C22H32O9/c1-12(2)6-18(25)30-17-8-16-15(9-28-14(5)24)10-29-21(20(16)22(17,27)11-23)31-19(26)7-13(3)4/h8,10,12-13,17,20-21,23,27H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]2(O)CO,C22H32O9,pos_1_sodium,440.2046326039999,BKKCPVJHKOCEPK,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Nardostachys jatamansi,24101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Nardostachys'],['Nardostachys jatamansi'],6,0,6.0 98159,3795,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,AOLKDXFBABOMHP-ADNIJMRFSA-N,"InChI=1S/C22H32O9/c1-12(2)6-17(24)27-9-15-10-28-20(31-18(25)7-13(3)4)19-21(15,26)8-16(30-14(5)23)22(19)11-29-22/h10,12-13,16,19-20,26H,6-9,11H2,1-5H3/t16-,19-,20-,21-,22+/m0/s1",CC(=O)O[C@H]1C[C@]2(O)C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O9,pos_1_sodium,440.2046326039999,AOLKDXFBABOMHP,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,0,6.0 98160,3795,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OEAZFPVJNXNHSX-KVJIRVJXSA-N,"InChI=1S/C22H32O9/c1-12(2)6-18(25)30-11-22(27)17(24)8-16-15(9-28-14(5)23)10-29-21(20(16)22)31-19(26)7-13(3)4/h8,10,12-13,17,20-21,24,27H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](O)[C@]2(O)COC(=O)CC(C)C,C22H32O9,pos_1_sodium,440.2046326039999,OEAZFPVJNXNHSX,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,0,6.0 98161,3795,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OEAZFPVJNXNHSX-KVJIRVJXSA-N,"InChI=1S/C22H32O9/c1-12(2)6-18(25)30-11-22(27)17(24)8-16-15(9-28-14(5)23)10-29-21(20(16)22)31-19(26)7-13(3)4/h8,10,12-13,17,20-21,24,27H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](O)[C@]2(O)COC(=O)CC(C)C,C22H32O9,pos_1_sodium,440.2046326039999,OEAZFPVJNXNHSX,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Nardostachys jatamansi,24101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Nardostachys'],['Nardostachys jatamansi'],6,0,6.0 98022,3793,544,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.64312536,ISDB,SEJZCZHZNVUJKW-UHFFFAOYSA-N,"InChI=1S/C20H22O4/c1-5-7-15-9-11-17(19(13-15)21-3)23-24-18-12-10-16(8-6-2)14-20(18)22-4/h5-6,9-14H,1-2,7-8H2,3-4H3",C=CCc1ccc(OOc2ccc(CC=C)cc2OC)c(OC)c1,C20H22O4,,326.151809184,SEJZCZHZNVUJKW,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Virola carinata,5700103.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Myristicaceae'],['Unknown'],['Virola'],['Virola carinata'],4,3,8.072501420974731 97995,3792,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,IZJKNGKMGFLJCM-NICCLXCISA-N,"InChI=1S/C36H52O20/c1-7-15-17(9-23(45-3)46-4)19(31(43)47-5)12-50-33(15)56-36-29(42)27(40)30-22(53-36)14-49-24(54-30)10-18-16(8-2)34(51-13-20(18)32(44)48-6)55-35-28(41)26(39)25(38)21(11-37)52-35/h7-8,12-13,15-18,21-30,33-42H,1-2,9-11,14H2,3-6H3/t15-,16-,17+,18+,21-,22-,24-,25-,26+,27-,28-,29-,30-,33+,34+,35+,36+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1C[C@@H]1OC[C@H]2O[C@@H](O[C@@H]3OC=C(C(=O)OC)[C@@H](CC(OC)OC)[C@H]3C=C)[C@H](O)[C@@H](O)[C@@H]2O1,C36H52O20,pos_2_2sodium,804.3051940640003,IZJKNGKMGFLJCM,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera korolkowii,692192.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera korolkowii'],7,3,8.5 97989,3791,-1,,,,0.0,MS1_match,BSRLPROUTURBPN-WDYNHAJCSA-N,"InChI=1S/C42H50N2O10/c1-43-13-11-24-27(20-35(49-6)40(51-8)38(24)45)28(43)16-23-18-34(32(48-5)21-30(23)46-3)54-33-17-22-15-29-36-25(12-14-44(29)2)39(50-7)42(53-10)41(52-9)37(36)26(22)19-31(33)47-4/h17-21,28-29,45H,11-16H2,1-10H3/t28-,29+/m1/s1",COc1cc(OC)c(Oc2cc3c(cc2OC)-c2c(OC)c(OC)c(OC)c4c2[C@H](C3)N(C)CC4)cc1C[C@@H]1c2cc(OC)c(OC)c(O)c2CCN1C,C42H50N2O10,pos_3_1proton2sodium,742.3465458,BSRLPROUTURBPN,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Thalictrum przewalskii,782787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum przewalskii'],6,0,6.0 97990,3791,-1,,,,0.0,MS1_match,VFUPIJUPVLTJMM-WDYNHAJCSA-N,"InChI=1S/C42H50N2O10/c1-43-15-13-24-27(21-33(48-5)39(51-8)36(24)45)28(43)17-22-11-12-30(46-3)40(37(22)49-6)54-32-19-23-18-29-34-25(14-16-44(29)2)38(50-7)42(53-10)41(52-9)35(34)26(23)20-31(32)47-4/h11-12,19-21,28-29,45H,13-18H2,1-10H3/t28-,29+/m1/s1",COc1cc2c(cc1Oc1c(OC)ccc(C[C@@H]3c4cc(OC)c(OC)c(O)c4CCN3C)c1OC)C[C@H]1c3c(c(OC)c(OC)c(OC)c3-2)CCN1C,C42H50N2O10,pos_3_1proton2sodium,742.3465458,VFUPIJUPVLTJMM,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Thalictrum przewalskii,782787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum przewalskii'],6,0,6.0 97991,3791,-1,,,,0.0,MS1_match,NKUARQOCOZDNAS-WDYNHAJCSA-N,"InChI=1S/C42H50N2O10/c1-43-13-11-24-27(20-35(49-6)40(51-8)38(24)45)28(43)16-23-18-31(46-3)33(48-5)21-30(23)54-34-17-22-15-29-36-25(12-14-44(29)2)39(50-7)42(53-10)41(52-9)37(36)26(22)19-32(34)47-4/h17-21,28-29,45H,11-16H2,1-10H3/t28-,29+/m1/s1",COc1cc(C[C@@H]2c3cc(OC)c(OC)c(O)c3CCN2C)c(Oc2cc3c(cc2OC)-c2c(OC)c(OC)c(OC)c4c2[C@H](C3)N(C)CC4)cc1OC,C42H50N2O10,pos_3_1proton2sodium,742.3465458,NKUARQOCOZDNAS,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Thalictrum minus,491705.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum minus'],6,0,6.0 97992,3791,-1,,,,0.0,MS1_match,NKUARQOCOZDNAS-UHFFFAOYSA-N,"InChI=1S/C42H50N2O10/c1-43-13-11-24-27(20-35(49-6)40(51-8)38(24)45)28(43)16-23-18-31(46-3)33(48-5)21-30(23)54-34-17-22-15-29-36-25(12-14-44(29)2)39(50-7)42(53-10)41(52-9)37(36)26(22)19-32(34)47-4/h17-21,28-29,45H,11-16H2,1-10H3",COc1cc(CC2c3cc(OC)c(OC)c(O)c3CCN2C)c(Oc2cc3c(cc2OC)-c2c(OC)c(OC)c(OC)c4c2C(C3)N(C)CC4)cc1OC,C42H50N2O10,pos_3_1proton2sodium,742.3465458,NKUARQOCOZDNAS,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Thalictrum cultratum,583170.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum cultratum'],6,0,6.0 97993,3791,-1,,,,0.0,MS1_match,VLDVPDNIWBGIGV-CYZZXXEPSA-N,"InChI=1S/C42H50N2O10/c1-43-17-15-28-30(22-34(46-4)41-38(28)52-23-53-41)31(43)18-24-10-12-26(13-11-24)54-35-20-25(36(47-5)42(51-9)40(35)50-8)19-32-29-21-33(45-3)39(49-7)37(48-6)27(29)14-16-44(32)2/h10-13,20-22,31-32H,14-19,23H2,1-9H3/t31-,32?/m0/s1",COc1cc2c(c(OC)c1OC)CCN(C)C2Cc1cc(Oc2ccc(C[C@H]3c4cc(OC)c5c(c4CCN3C)OCO5)cc2)c(OC)c(OC)c1OC,C42H50N2O10,pos_3_1proton2sodium,742.3465458,VLDVPDNIWBGIGV,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Isopyrum thalictroides,949657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Isopyrum'],['Isopyrum thalictroides'],6,0,6.0 97783,3785,-1,,,,0.46333808,ISDB,BITHHVVYSMSWAG-KTKRTIGZSA-N,"InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h9-10H,2-8,11-19H2,1H3,(H,21,22)/b10-9-",CCCCCCCC/C=C\CCCCCCCCCC(=O)O,C20H38O2,,310.287180456,BITHHVVYSMSWAG,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Delphinium fissum,833960.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium fissum'],6,0,7.853352308273315 97784,3785,-1,,,,0.46333808,ISDB,BITHHVVYSMSWAG-KTKRTIGZSA-N,"InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h9-10H,2-8,11-19H2,1H3,(H,21,22)/b10-9-",CCCCCCCC/C=C\CCCCCCCCCC(=O)O,C20H38O2,,310.287180456,BITHHVVYSMSWAG,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Delphinium schmalhausenii,7591251.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium schmalhausenii'],6,0,7.853352308273315 97775,3781,544,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.42044827,ISDB,WAPGRPJEBCULTQ-UHFFFAOYSA-N,"InChI=1S/C13H20O5/c1-17-13-7-10(3-2-6-14)4-5-12(13)18-11(8-15)9-16/h4-5,7,11,14-16H,2-3,6,8-9H2,1H3",COc1cc(CCCO)ccc1OC(CO)CO,C13H20O5,,256.13107374,WAPGRPJEBCULTQ,Shikimates and Phenylpropanoids,Lignans,Neolignans,Croton lechleri,900868.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Crotoneae'],['Croton'],['Croton lechleri'],4,1,6.1817930936813354 97773,3780,1,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.34936988,ISDB,SJBXTBSLCWEDAI-NQORWKKUSA-N,"InChI=1S/C26H32O11/c1-26(32)11-10-15-16(23(31)33-2)13-34-24(19(15)26)37-25-22(21(30)20(29)17(12-27)35-25)36-18(28)9-8-14-6-4-3-5-7-14/h3-9,13,15,17,19-22,24-25,27,29-30,32H,10-12H2,1-2H3/b9-8+/t15-,17-,19-,20-,21+,22-,24+,25+,26+/m1/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(=O)/C=C/c2ccccc2)[C@H]2[C@@H]1CC[C@]2(C)O,C26H32O11,,520.194461844,SJBXTBSLCWEDAI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Avicennia marina,77591.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Acanthaceae'],['Unknown'],['Avicennia'],['Avicennia marina'],4,3,6.89747953414917 97747,3777,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.45412284,ISDB,OVWDRYCZWVUZQT-OMAYRMBQSA-N,"InChI=1S/C24H40O11/c1-12-7-14(8-23(3,4)15(12)6-5-13(2)26)34-21-19(29)18(28)17(27)16(35-21)9-32-22-20(30)24(31,10-25)11-33-22/h14,16-22,25,27-31H,5-11H2,1-4H3/t14-,16+,17+,18-,19+,20+,21+,22-,24-/m0/s1",CC(=O)CCC1=C(C)C[C@H](O[C@@H]2O[C@H](CO[C@H]3OC[C@@](O)(CO)[C@@H]3O)[C@@H](O)[C@H](O)[C@H]2O)CC1(C)C,C24H40O11,,504.2570621,OVWDRYCZWVUZQT,Terpenoids,Apocarotenoids,Megastigmanes,Sargentodoxa cuneata,639710.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Lardizabalaceae'],['Unknown'],['Sargentodoxa'],['Sargentodoxa cuneata'],4,1,6.316491365432739 97740,3776,58,Polyketides,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,JFDDBMVESRQDLZ-MEIPJHLESA-N,"InChI=1S/C22H29NO5/c1-8-4-21-7-11-16-20(3)5-10(25)6-22(16)17(21)14(26)12(8)15(28-9(2)24)13(21)18(22)23(11)19(20)27/h10-19,25-27H,1,4-7H2,2-3H3/t10-,11-,12+,13+,14-,15+,16+,17+,18+,19-,20-,21-,22-/m0/s1",C=C1C[C@@]23C[C@H]4[C@@H]5[C@]6(C)C[C@H](O)C[C@@]57[C@@H]2[C@@H](O)[C@@H]1[C@@H](OC(C)=O)[C@@H]3[C@H]7N4[C@H]6O,C22H29NO5,pos_2MHNH3,387.204573028,JFDDBMVESRQDLZ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Consolida ajacis,756488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida ajacis'],6,0,6.0 97741,3776,58,Polyketides,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,JFDDBMVESRQDLZ-MEIPJHLESA-N,"InChI=1S/C22H29NO5/c1-8-4-21-7-11-16-20(3)5-10(25)6-22(16)17(21)14(26)12(8)15(28-9(2)24)13(21)18(22)23(11)19(20)27/h10-19,25-27H,1,4-7H2,2-3H3/t10-,11-,12+,13+,14-,15+,16+,17+,18+,19-,20-,21-,22-/m0/s1",C=C1C[C@@]23C[C@H]4[C@@H]5[C@]6(C)C[C@H](O)C[C@@]57[C@@H]2[C@@H](O)[C@@H]1[C@@H](OC(C)=O)[C@@H]3[C@H]7N4[C@H]6O,C22H29NO5,pos_2MHNH3,387.204573028,JFDDBMVESRQDLZ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Consolida ambigua,693548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida ambigua'],6,0,6.0 97742,3776,58,Polyketides,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,KLDNQFXMBMDPMZ-UHFFFAOYSA-N,"InChI=1S/C22H29NO5/c1-9-6-20-7-22(27)18-19(3)8-23(22)17-13(20)15(28-10(2)24)12(9)14(26)16(20)21(17,18)5-4-11(19)25/h11-18,25-27H,1,4-8H2,2-3H3",C=C1CC23CC4(O)C5C6(C)CN4C4C2C(OC(C)=O)C1C(O)C3C45CCC6O,C22H29NO5,pos_2MHNH3,387.204573028,KLDNQFXMBMDPMZ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium majus,6131723.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium majus'],6,0,6.0 97743,3776,58,Polyketides,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,XGTNTUKODZZCGL-FARGTZJHSA-N,"InChI=1S/C22H29NO5/c1-9-4-20-7-12-15-19(3)5-11(28-10(2)24)6-21(15)16(20)14(25)13(9)17(26)22(20,27)18(21)23(12)8-19/h11-18,25-27H,1,4-8H2,2-3H3/t11-,12-,13+,14+,15+,16+,17-,18-,19-,20+,21-,22-/m0/s1",C=C1C[C@@]23C[C@H]4[C@@H]5[C@@]6(C)C[C@H](OC(C)=O)C[C@@]57[C@@H]2[C@H](O)[C@@H]1[C@H](O)[C@]3(O)[C@H]7N4C6,C22H29NO5,pos_2MHNH3,387.2045730279999,XGTNTUKODZZCGL,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum coreanum,377294.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum coreanum'],6,0,6.0 97744,3776,58,Polyketides,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,FGERYDCMGOEROV-DUSGFXKJSA-N,"InChI=1S/C22H29NO5/c1-9-5-20-7-13-15-19(3)8-14(28-10(2)24)17(25)22(15)16(23(13)18(19)26)12(20)4-11(9)6-21(20,22)27/h11-18,25-27H,1,4-8H2,2-3H3/t11-,12+,13-,14-,15+,16+,17+,18+,19-,20-,21-,22+/m0/s1",C=C1C[C@]23C[C@H]4[C@@H]5[C@]6(C)C[C@H](OC(C)=O)[C@@H](O)[C@]57[C@@H]([C@H]2C[C@H]1C[C@]37O)N4[C@@H]6O,C22H29NO5,pos_2MHNH3,387.204573028,FGERYDCMGOEROV,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum septentrionale,586782.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum septentrionale'],6,0,6.0 97745,3776,58,Polyketides,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,FGERYDCMGOEROV-DUSGFXKJSA-N,"InChI=1S/C22H29NO5/c1-9-5-20-7-13-15-19(3)8-14(28-10(2)24)17(25)22(15)16(23(13)18(19)26)12(20)4-11(9)6-21(20,22)27/h11-18,25-27H,1,4-8H2,2-3H3/t11-,12+,13-,14-,15+,16+,17+,18+,19-,20-,21-,22+/m0/s1",C=C1C[C@]23C[C@H]4[C@@H]5[C@]6(C)C[C@H](OC(C)=O)[C@@H](O)[C@]57[C@@H]([C@H]2C[C@H]1C[C@]37O)N4[C@@H]6O,C22H29NO5,pos_2MHNH3,387.204573028,FGERYDCMGOEROV,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum lycoctonum,14055.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum lycoctonum'],6,0,6.0 97738,3775,-1,,,,0.24645148,ISDB,UUYGQNWMNPMULJ-AWQFTUOYSA-N,"InChI=1S/C19H30N2O12/c1-8(22)13(17(28)29)21-10-4-19(30,3-9(16(10)31-2)20-5-12(24)25)7-33-18-15(27)14(26)11(23)6-32-18/h4,8,11,13-16,18,21-23,26-27,30H,3,5-7H2,1-2H3,(H,24,25)(H,28,29)/b20-9+",COC1C(NC(C(=O)O)C(C)O)=CC(O)(COC2OCC(O)C(O)C2O)C/C1=N\CC(=O)O,C19H30N2O12,,478.1798744,UUYGQNWMNPMULJ,Amino acids and Peptides,,,Nostoc,893787.0,['Bacteria'],['Unknown'],['Cyanobacteria'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Nostoc'],['Unknown'],0,0,0.9858059287071228 97739,3775,-1,,,,0.24645148,ISDB,UUYGQNWMNPMULJ-UHFFFAOYSA-N,"InChI=1S/C19H30N2O12/c1-8(22)13(17(28)29)21-10-4-19(30,3-9(16(10)31-2)20-5-12(24)25)7-33-18-15(27)14(26)11(23)6-32-18/h4,8,11,13-16,18,21-23,26-27,30H,3,5-7H2,1-2H3,(H,24,25)(H,28,29)",COC1C(NC(C(=O)O)C(C)O)=CC(O)(COC2OCC(O)C(O)C2O)CC1=NCC(=O)O,C19H30N2O12,,478.1798744,UUYGQNWMNPMULJ,Amino acids and Peptides,,,Nostoc commune,893796.0,['Bacteria'],['Unknown'],['Cyanobacteria'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Nostoc'],['Nostoc commune'],0,0,0.9858059287071228 97737,3773,957,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,QUKURLODOVRHQB-CSIVPCFASA-N,"InChI=1S/C23H37NO9/c1-24-7-20(8-31-2)10(25)5-11(32-3)22-9-6-21(29)17(26)12(9)23(30,19(28)18(21)27)13(16(22)24)14(33-4)15(20)22/h9-19,25-30H,5-8H2,1-4H3/t9-,10-,11+,12-,13+,14+,15-,16-,17-,18+,19+,20+,21-,22+,23-/m1/s1",COC[C@]12CN(C)[C@@H]3[C@@H]4[C@H](OC)[C@H]1[C@@]3([C@@H](OC)C[C@H]2O)[C@@H]1C[C@@]2(O)[C@H](O)[C@@H]1[C@]4(O)[C@@H](O)[C@@H]2O,C23H37NO9,pos_1_1proton1methanol,471.2468317639998,QUKURLODOVRHQB,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum carmichaelii,549536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum carmichaelii'],6,3,7.5 97735,3772,-1,,,,0.3383567,ISDB,WURUSNYKHDFEDN-JJOBWUIXSA-N,"InChI=1S/C30H39NO3/c1-7-20(3)25-21(4)16-29(5)15-19(2)13-14-24(29)26(25)27(32)23-18-30(34-6,31-28(23)33)17-22-11-9-8-10-12-22/h7-12,16,18-19,24-26H,13-15,17H2,1-6H3,(H,31,33)/b20-7+/t19-,24+,25-,26+,29+,30+/m1/s1",C/C=C(\C)[C@@H]1C(C)=C[C@]2(C)C[C@H](C)CC[C@H]2[C@@H]1C(=O)C1=C[C@](Cc2ccccc2)(OC)NC1=O,C30H39NO3,,461.292994108,WURUSNYKHDFEDN,Amino acids and Peptides,Cyclic polyketides,3-Decalinoyltetramic acids,Chaetomium globosum,474230.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Sordariales'],['Chaetomiaceae'],['Unknown'],['Chaetomium'],['Chaetomium globosum'],1,0,2.3534268140792847 97736,3772,-1,,,,0.3383567,ISDB,WURUSNYKHDFEDN-JJOBWUIXSA-N,"InChI=1S/C30H39NO3/c1-7-20(3)25-21(4)16-29(5)15-19(2)13-14-24(29)26(25)27(32)23-18-30(34-6,31-28(23)33)17-22-11-9-8-10-12-22/h7-12,16,18-19,24-26H,13-15,17H2,1-6H3,(H,31,33)/b20-7+/t19-,24+,25-,26+,29+,30+/m1/s1",C/C=C(\C)[C@@H]1C(C)=C[C@]2(C)C[C@H](C)CC[C@H]2[C@@H]1C(=O)C1=C[C@](Cc2ccccc2)(OC)NC1=O,C30H39NO3,,461.292994108,WURUSNYKHDFEDN,Amino acids and Peptides,Cyclic polyketides,3-Decalinoyltetramic acids,Chaetomium olivaceum,474230.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Sordariales'],['Chaetomiaceae'],['Unknown'],['Chaetomium'],['Chaetomium globosum'],1,0,2.3534268140792847 97734,3771,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IKIIZLYTISPENI-ZFORQUDYSA-N,"InChI=1S/C21H18O11/c22-9-6-10(8-4-2-1-3-5-8)30-11-7-12(14(23)15(24)13(9)11)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21,23-27H,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1",O=C(O)[C@H]1O[C@@H](Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c2O)[C@H](O)[C@@H](O)[C@@H]1O,C21H18O11,pos_1_1proton,446.084911396,IKIIZLYTISPENI,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Thalictrum baicalense,1045100.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum baicalense'],6,2,7.0 97733,3769,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.25792766,ISDB,YCEDLUKLAQSNAA-NVZATTGYSA-N,"InChI=1S/C24H38O8/c1-15-8-9-18-23(2,14-25)10-7-11-24(18,3)17(15)13-32-20(22(28)31-6)16(21(27)30-5)12-19(26)29-4/h16-18,20,25H,1,7-14H2,2-6H3/t16-,17-,18-,20+,23-,24+/m0/s1",C=C1CC[C@H]2[C@](C)(CO)CCC[C@]2(C)[C@H]1CO[C@@H](C(=O)OC)[C@H](CC(=O)OC)C(=O)OC,C24H38O8,,454.256668176,YCEDLUKLAQSNAA,Terpenoids,Sesquiterpenoids,Drimane sesquiterpenoids,Cryptoporus sinensis,3800745.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Agaricomycetes'],['Polyporales'],['Polyporaceae'],['Unknown'],['Cryptoporus'],['Cryptoporus sinensis'],1,1,2.531710624694824 97725,3768,86,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,WKOLLVMJNQIZCI-UHFFFAOYSA-N,"InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)",COc1cc(C(=O)O)ccc1O,C8H8O4,pos_2MNa,168.042258736,WKOLLVMJNQIZCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Ranunculus ficaria,829312.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ficaria'],['Ficaria verna'],6,0,6.0 97726,3768,86,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,WKOLLVMJNQIZCI-UHFFFAOYSA-N,"InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)",COc1cc(C(=O)O)ccc1O,C8H8O4,pos_2MNa,168.042258736,WKOLLVMJNQIZCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Dipsacus inermis,776357.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Dipsacus'],['Dipsacus inermis'],6,0,6.0 97727,3768,86,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,WKOLLVMJNQIZCI-UHFFFAOYSA-N,"InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)",COc1cc(C(=O)O)ccc1O,C8H8O4,pos_2MNa,168.042258736,WKOLLVMJNQIZCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Dipsacus asper,365911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Dipsacus'],['Dipsacus asper'],6,0,6.0 97728,3768,86,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,CUFLZUDASVUNOE-UHFFFAOYSA-N,"InChI=1S/C8H8O4/c1-12-8(11)5-2-3-6(9)7(10)4-5/h2-4,9-10H,1H3",COC(=O)c1ccc(O)c(O)c1,C8H8O4,pos_2MNa,168.042258736,CUFLZUDASVUNOE,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Delphinium venulosum,885408.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium venulosum'],6,0,6.0 97729,3768,86,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,OLBNOBQOQZRLMP-UHFFFAOYSA-N,"InChI=1S/C8H8O4/c1-11-6-3-5(9)4-7(12-2)8(6)10/h3-4H,1-2H3",COC1=CC(=O)C=C(OC)C1=O,C8H8O4,pos_2MNa,168.042258736,OLBNOBQOQZRLMP,Polyketides,Aromatic polyketides,Benzoquinones,Adonis vernalis,693556.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Adonideae'],['Adonis'],['Adonis vernalis'],6,0,6.0 97730,3768,86,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,MRIXVKKOHPQOFK-UHFFFAOYSA-N,"InChI=1S/C8H8O4/c1-12-5-2-3-6(8(10)11)7(9)4-5/h2-4,9H,1H3,(H,10,11)",COc1ccc(C(=O)O)c(O)c1,C8H8O4,pos_2MNa,168.042258736,MRIXVKKOHPQOFK,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Aconitum kongboense,723190.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum kongboense'],6,0,6.0 97731,3768,86,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,VXWUBYBAUIHOHG-DTLFHODZSA-N,"InChI=1S/C8H8O4/c9-5-2-1-4-3-6(10)12-8(4)7(5)11/h1-3,5,7-9,11H/t5-,7+,8+/m1/s1",O=C1C=C2C=C[C@@H](O)[C@H](O)[C@H]2O1,C8H8O4,pos_2MNa,168.042258736,VXWUBYBAUIHOHG,,,,Semiaquilegia adoxoides,781970.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Semiaquilegia'],['Semiaquilegia adoxoides'],6,0,6.0 97732,3768,86,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,IZZIWIAOVZOBLF-UHFFFAOYSA-N,"InChI=1S/C8H8O4/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4,9H,1H3,(H,10,11)",COc1ccc(O)c(C(=O)O)c1,C8H8O4,pos_2MNa,168.042258736,IZZIWIAOVZOBLF,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Thalictrum fargesii,124386.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum fargesii'],6,0,6.0 97724,3767,-1,,,,0.0,MS1_match,ZNJFBWYDHIGLCU-HWKXXFMVSA-N,"InChI=1S/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/b4-3-/t9-,10-/m1/s1",CC/C=C\C[C@H]1C(=O)CC[C@@H]1CC(=O)O,C12H18O3,pos_1_1proton1methanol,210.125594436,ZNJFBWYDHIGLCU,Fatty acids,Octadecanoids,Jasmonic acids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 97691,3766,1461,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.30939513,ISDB,OJGKTHCXUFNMIQ-MMPACCRQSA-N,"InChI=1S/C13H24O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-6,9-11,14-16H,7-8H2,1-4H3/b6-5+/t9-,10-,11+,13-/m1/s1",C[C@@H]1C[C@H](O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O,C13H24O3,,228.172544628,OJGKTHCXUFNMIQ,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Helianthus annuus,515712.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Helianthus'],['Helianthus annuus'],4,3,6.7375805377960205 97692,3766,1461,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.30939513,ISDB,OJGKTHCXUFNMIQ-MMPACCRQSA-N,"InChI=1S/C13H24O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-6,9-11,14-16H,7-8H2,1-4H3/b6-5+/t9-,10-,11+,13-/m1/s1",C[C@@H]1C[C@H](O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O,C13H24O3,,228.172544628,OJGKTHCXUFNMIQ,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Alangium premnifolium,6045450.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Alangium'],['Alangium premnifolium'],4,3,6.7375805377960205 97693,3766,1461,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.30939513,ISDB,OJGKTHCXUFNMIQ-NSJQKUIWSA-N,"InChI=1S/C13H24O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-6,9-11,14-16H,7-8H2,1-4H3/b6-5+/t9-,10-,11+,13+/m1/s1",C[C@@H]1C[C@H](O)CC(C)(C)[C@]1(O)/C=C/[C@@H](C)O,C13H24O3,,228.172544628,OJGKTHCXUFNMIQ,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Mikania hirsutissima,7051520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Mikania'],['Mikania hirsutissima'],4,3,6.7375805377960205 97694,3766,1461,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.30939513,ISDB,OJGKTHCXUFNMIQ-NSJQKUIWSA-N,"InChI=1S/C13H24O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-6,9-11,14-16H,7-8H2,1-4H3/b6-5+/t9-,10-,11+,13+/m1/s1",C[C@@H]1C[C@H](O)CC(C)(C)[C@]1(O)/C=C/[C@@H](C)O,C13H24O3,,228.172544628,OJGKTHCXUFNMIQ,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Mikania banisteriae,7051520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Mikania'],['Mikania hirsutissima'],4,3,6.7375805377960205 97643,3763,-1,,,,0.5297698,ISDB,LLNYPTNRKTUNSC-QXAKKESOSA-N,"InChI=1S/C19H18O4/c1-20-18-14-8-9-15-13(10-11-22-15)17(14)23-16(19(18)21-2)12-6-4-3-5-7-12/h3-11,16,18-19H,1-2H3/t16-,18+,19+/m0/s1",CO[C@H]1[C@H](OC)c2ccc3occc3c2O[C@H]1c1ccccc1,C19H18O4,,310.120509056,LLNYPTNRKTUNSC,Shikimates and Phenylpropanoids,Flavonoids,Flavandiols (Leucoanthocyanidins),Hebestigma cubense,1085819.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Robinieae'],['Hebestigma'],['Hebestigma cubense'],4,0,6.119079113006592 97644,3763,-1,,,,0.5297698,ISDB,LLNYPTNRKTUNSC-QXAKKESOSA-N,"InChI=1S/C19H18O4/c1-20-18-14-8-9-15-13(10-11-22-15)17(14)23-16(19(18)21-2)12-6-4-3-5-7-12/h3-11,16,18-19H,1-2H3/t16-,18+,19+/m0/s1",CO[C@H]1[C@H](OC)c2ccc3occc3c2O[C@H]1c1ccccc1,C19H18O4,,310.120509056,LLNYPTNRKTUNSC,Shikimates and Phenylpropanoids,Flavonoids,Flavandiols (Leucoanthocyanidins),Lonchocarpus heptaphyllus,922295.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Millettieae'],['Lonchocarpus'],['Lonchocarpus heptaphyllus'],4,0,6.119079113006592 97642,3761,-1,,,,0.0,MS1_match,KXDYPPVOPZKXMX-PEVLUNPASA-N,"InChI=1S/C21H24O11/c22-5-10-3-12(24)16-13(25)4-14-11(20(16)31-10)2-1-9(7-29-14)8-30-21-19(28)18(27)17(26)15(6-23)32-21/h1,3-4,15,17-19,21-23,25-28H,2,5-8H2/t15-,17-,18+,19-,21-/m1/s1",O=c1cc(CO)oc2c3c(cc(O)c12)OCC(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=CC3,C21H24O11,pos_1_1proton1acetonitrile,452.131861588,KXDYPPVOPZKXMX,Polyketides,Chromanes,Chromones,Eranthis hyemalis,756503.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Eranthis'],['Eranthis hyemalis'],6,0,6.0 97639,3760,201,Terpenoids,Apocarotenoids,Megastigmanes,0.29296005,ISDB,WDNYAORDIIYQKT-DEJUDLAWSA-N,"InChI=1S/C25H40O12/c1-11-7-13(27)8-25(3,4)14(11)6-5-12(2)35-24-22(33)20(31)18(29)16(37-24)10-34-23-21(32)19(30)17(28)15(9-26)36-23/h5-7,12,14-24,26,28-33H,8-10H2,1-4H3/b6-5+/t12-,14+,15-,16-,17+,18-,19+,20+,21-,22-,23-,24-/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@@H](C)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C25H40O12,,532.25197672,WDNYAORDIIYQKT,Terpenoids,Apocarotenoids,Megastigmanes,Macaranga tanarius,573156.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Macaranga'],['Macaranga tanarius'],4,3,6.671840190887451 97625,3758,219,Fatty acids,Fatty acyls,Fatty aldehydes,0.37395552,ISDB,FHSVMYDBGPVTTJ-UHFFFAOYSA-N,"InChI=1S/C27H48O3/c1-16(2)14-24(29)25(30)17(3)21-8-9-22-20-7-6-18-15-19(28)10-12-26(18,4)23(20)11-13-27(21,22)5/h16-25,28-30H,6-15H2,1-5H3",CC(C)CC(O)C(O)C(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C,C27H48O3,,420.360345396,FHSVMYDBGPVTTJ,Terpenoids,Steroids,Cholestane steroids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],4,0,5.495822072029114 97619,3757,-1,,,,0.0,MS1_match,QUZHZFAQJATMCA-QAZQWDDOSA-N,"InChI=1S/C45H74O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,38-39,42-46,49-51H,3-4,9-10,15-16,21-37H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t38-,39-,42+,43+,44-,45-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C45H74O10,pos_1_sodium,774.5281985680001,QUZHZFAQJATMCA,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Ranunculus fluitans,961752.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus fluitans'],6,0,6.0 97620,3757,-1,,,,0.0,MS1_match,QUZHZFAQJATMCA-QAZQWDDOSA-N,"InChI=1S/C45H74O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,38-39,42-46,49-51H,3-4,9-10,15-16,21-37H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t38-,39-,42+,43+,44-,45-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C45H74O10,pos_1_sodium,774.5281985680001,QUZHZFAQJATMCA,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Ranunculus fluitans,961752.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus fluitans'],6,0,6.0 96818,3756,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.8197378,ISDB,PWXZKALLXDXZPK-QHSBEEBCSA-N,"InChI=1S/C15H22O/c1-9(2)13-8-15(16)11(4)12-6-5-10(3)7-14(12)13/h7-8,11-12,14-16H,1,5-6H2,2-4H3/t11-,12-,14-,15-/m1/s1",C=C(C)C1=C[C@@H](O)[C@H](C)[C@H]2CCC(C)=C[C@@H]12,C15H22O,,218.167065324,PWXZKALLXDXZPK,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Ageratina adenophora,1007563.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Ageratina'],['Ageratina adenophora'],4,3,8.778951168060303 96819,3756,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.8197378,ISDB,PWXZKALLXDXZPK-QHSBEEBCSA-N,"InChI=1S/C15H22O/c1-9(2)13-8-15(16)11(4)12-6-5-10(3)7-14(12)13/h7-8,11-12,14-16H,1,5-6H2,2-4H3/t11-,12-,14-,15-/m1/s1",C=C(C)C1=C[C@@H](O)[C@H](C)[C@H]2CCC(C)=C[C@@H]12,C15H22O,,218.167065324,PWXZKALLXDXZPK,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Eupatorium adenophorum,1007563.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Ageratina'],['Ageratina adenophora'],4,3,8.778951168060303 96815,3755,871,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,HRAKXIGVAPGHEW-XHHYMNQSSA-N,"InChI=1S/C21H36O10/c1-10(2)5-16(24)31-15-6-12(11(3)7-22)13(21(15,4)28)9-29-20-19(27)18(26)17(25)14(8-23)30-20/h10,12-15,17-20,22-23,25-28H,3,5-9H2,1-2,4H3/t12-,13+,14-,15+,17-,18+,19-,20-,21+/m1/s1",C=C(CO)[C@H]1C[C@H](OC(=O)CC(C)C)[C@@](C)(O)[C@H]1CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C21H36O10,pos_1_sodium,448.23084735199984,HRAKXIGVAPGHEW,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia scabra,68239.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia scabra'],6,3,7.5 96816,3755,871,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,HRAKXIGVAPGHEW-XHHYMNQSSA-N,"InChI=1S/C21H36O10/c1-10(2)5-16(24)31-15-6-12(11(3)7-22)13(21(15,4)28)9-29-20-19(27)18(26)17(25)14(8-23)30-20/h10,12-15,17-20,22-23,25-28H,3,5-9H2,1-2,4H3/t12-,13+,14-,15+,17-,18+,19-,20-,21+/m1/s1",C=C(CO)[C@H]1C[C@H](OC(=O)CC(C)C)[C@@](C)(O)[C@H]1CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C21H36O10,pos_1_sodium,448.23084735199984,HRAKXIGVAPGHEW,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia scabra,68239.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia scabra'],6,3,7.5 96800,3753,-1,,,,0.0,MS1_match,ZWPGENPRTLGXDK-CRNWGPEESA-N,"InChI=1S/C37H53N3O10/c1-7-40-17-34(18-50-32(43)20-10-8-9-11-23(20)39-26(41)14-19(2)31(38)42)13-12-25(47-4)36-22-15-21-24(46-3)16-35(44,27(22)28(21)48-5)37(45,33(36)40)30(49-6)29(34)36/h8-11,19,21-22,24-25,27-30,33,44-45H,7,12-18H2,1-6H3,(H2,38,42)(H,39,41)/t19-,21-,22-,24+,25+,27-,28+,29-,30+,33+,34+,35-,36+,37-/m1/s1",CCN1C[C@]2(COC(=O)c3ccccc3NC(=O)C[C@@H](C)C(N)=O)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C37H53N3O10,pos_1_1sodium1acetonitrile,699.373094896,ZWPGENPRTLGXDK,Alkaloids,Tyrosine alkaloids,Hasubanan alkaloids,Delphinium omeiense,699546.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium omeiense'],6,0,6.0 96801,3753,-1,,,,0.0,MS1_match,ZWPGENPRTLGXDK-CRNWGPEESA-N,"InChI=1S/C37H53N3O10/c1-7-40-17-34(18-50-32(43)20-10-8-9-11-23(20)39-26(41)14-19(2)31(38)42)13-12-25(47-4)36-22-15-21-24(46-3)16-35(44,27(22)28(21)48-5)37(45,33(36)40)30(49-6)29(34)36/h8-11,19,21-22,24-25,27-30,33,44-45H,7,12-18H2,1-6H3,(H2,38,42)(H,39,41)/t19-,21-,22-,24+,25+,27-,28+,29-,30+,33+,34+,35-,36+,37-/m1/s1",CCN1C[C@]2(COC(=O)c3ccccc3NC(=O)C[C@@H](C)C(N)=O)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C37H53N3O10,pos_1_1sodium1acetonitrile,699.373094896,ZWPGENPRTLGXDK,Alkaloids,Tyrosine alkaloids,Hasubanan alkaloids,Delphinium majus,6131723.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium majus'],6,0,6.0 96802,3753,-1,,,,0.0,MS1_match,ZWPGENPRTLGXDK-CRNWGPEESA-N,"InChI=1S/C37H53N3O10/c1-7-40-17-34(18-50-32(43)20-10-8-9-11-23(20)39-26(41)14-19(2)31(38)42)13-12-25(47-4)36-22-15-21-24(46-3)16-35(44,27(22)28(21)48-5)37(45,33(36)40)30(49-6)29(34)36/h8-11,19,21-22,24-25,27-30,33,44-45H,7,12-18H2,1-6H3,(H2,38,42)(H,39,41)/t19-,21-,22-,24+,25+,27-,28+,29-,30+,33+,34+,35-,36+,37-/m1/s1",CCN1C[C@]2(COC(=O)c3ccccc3NC(=O)C[C@@H](C)C(N)=O)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C37H53N3O10,pos_1_1sodium1acetonitrile,699.373094896,ZWPGENPRTLGXDK,Alkaloids,Tyrosine alkaloids,Hasubanan alkaloids,Delphinium potaninii,699542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium potaninii'],6,0,6.0 96803,3753,-1,,,,0.0,MS1_match,ZWPGENPRTLGXDK-CRNWGPEESA-N,"InChI=1S/C37H53N3O10/c1-7-40-17-34(18-50-32(43)20-10-8-9-11-23(20)39-26(41)14-19(2)31(38)42)13-12-25(47-4)36-22-15-21-24(46-3)16-35(44,27(22)28(21)48-5)37(45,33(36)40)30(49-6)29(34)36/h8-11,19,21-22,24-25,27-30,33,44-45H,7,12-18H2,1-6H3,(H2,38,42)(H,39,41)/t19-,21-,22-,24+,25+,27-,28+,29-,30+,33+,34+,35-,36+,37-/m1/s1",CCN1C[C@]2(COC(=O)c3ccccc3NC(=O)C[C@@H](C)C(N)=O)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C37H53N3O10,pos_1_1sodium1acetonitrile,699.373094896,ZWPGENPRTLGXDK,Alkaloids,Tyrosine alkaloids,Hasubanan alkaloids,Delphinium formosum,3944990.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium formosum'],6,0,6.0 96804,3753,-1,,,,0.0,MS1_match,ZWPGENPRTLGXDK-CRNWGPEESA-N,"InChI=1S/C37H53N3O10/c1-7-40-17-34(18-50-32(43)20-10-8-9-11-23(20)39-26(41)14-19(2)31(38)42)13-12-25(47-4)36-22-15-21-24(46-3)16-35(44,27(22)28(21)48-5)37(45,33(36)40)30(49-6)29(34)36/h8-11,19,21-22,24-25,27-30,33,44-45H,7,12-18H2,1-6H3,(H2,38,42)(H,39,41)/t19-,21-,22-,24+,25+,27-,28+,29-,30+,33+,34+,35-,36+,37-/m1/s1",CCN1C[C@]2(COC(=O)c3ccccc3NC(=O)C[C@@H](C)C(N)=O)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C37H53N3O10,pos_1_1sodium1acetonitrile,699.373094896,ZWPGENPRTLGXDK,Alkaloids,Tyrosine alkaloids,Hasubanan alkaloids,Delphinium grandiflorum,1004833.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium grandiflorum'],6,0,6.0 96805,3753,-1,,,,0.0,MS1_match,ZWPGENPRTLGXDK-CRNWGPEESA-N,"InChI=1S/C37H53N3O10/c1-7-40-17-34(18-50-32(43)20-10-8-9-11-23(20)39-26(41)14-19(2)31(38)42)13-12-25(47-4)36-22-15-21-24(46-3)16-35(44,27(22)28(21)48-5)37(45,33(36)40)30(49-6)29(34)36/h8-11,19,21-22,24-25,27-30,33,44-45H,7,12-18H2,1-6H3,(H2,38,42)(H,39,41)/t19-,21-,22-,24+,25+,27-,28+,29-,30+,33+,34+,35-,36+,37-/m1/s1",CCN1C[C@]2(COC(=O)c3ccccc3NC(=O)C[C@@H](C)C(N)=O)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C37H53N3O10,pos_1_1sodium1acetonitrile,699.373094896,ZWPGENPRTLGXDK,Alkaloids,Tyrosine alkaloids,Hasubanan alkaloids,Delphinium delavayi,70138.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium delavayi'],6,0,6.0 96806,3753,-1,,,,0.0,MS1_match,ZWPGENPRTLGXDK-CRNWGPEESA-N,"InChI=1S/C37H53N3O10/c1-7-40-17-34(18-50-32(43)20-10-8-9-11-23(20)39-26(41)14-19(2)31(38)42)13-12-25(47-4)36-22-15-21-24(46-3)16-35(44,27(22)28(21)48-5)37(45,33(36)40)30(49-6)29(34)36/h8-11,19,21-22,24-25,27-30,33,44-45H,7,12-18H2,1-6H3,(H2,38,42)(H,39,41)/t19-,21-,22-,24+,25+,27-,28+,29-,30+,33+,34+,35-,36+,37-/m1/s1",CCN1C[C@]2(COC(=O)c3ccccc3NC(=O)C[C@@H](C)C(N)=O)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C37H53N3O10,pos_1_1sodium1acetonitrile,699.373094896,ZWPGENPRTLGXDK,Alkaloids,Tyrosine alkaloids,Hasubanan alkaloids,Delphinium umbrosum,5737858.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium umbrosum'],6,0,6.0 96807,3753,-1,,,,0.0,MS1_match,NXAZXMKMGPWXII-OWBGXFSJSA-N,"InChI=1S/C37H53N3O10/c1-7-40-17-34(18-50-32(43)20-10-8-9-11-23(20)39-31(42)19(2)14-26(38)41)13-12-25(47-4)36-22-15-21-24(46-3)16-35(44,27(22)28(21)48-5)37(45,33(36)40)30(49-6)29(34)36/h8-11,19,21-22,24-25,27-30,33,44-45H,7,12-18H2,1-6H3,(H2,38,41)(H,39,42)/t19?,21-,22?,24?,25?,27?,28?,29?,30?,33?,34?,35-,36?,37?/m1/s1",CCN1CC2(COC(=O)c3ccccc3NC(=O)C(C)CC(N)=O)CCC(OC)C34C5C[C@@H]6C(OC)C[C@@](O)(C5C6OC)C(O)(C(OC)C23)C14,C37H53N3O10,pos_1_1sodium1acetonitrile,699.373094896,NXAZXMKMGPWXII,Alkaloids,Tyrosine alkaloids,Hasubanan alkaloids,Delphinium omeiense,699546.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium omeiense'],6,0,6.0 96808,3753,-1,,,,0.0,MS1_match,NXAZXMKMGPWXII-IGHBFZKASA-N,"InChI=1S/C37H53N3O10/c1-7-40-17-34(18-50-32(43)20-10-8-9-11-23(20)39-31(42)19(2)14-26(38)41)13-12-25(47-4)36-22-15-21-24(46-3)16-35(44,27(22)28(21)48-5)37(45,33(36)40)30(49-6)29(34)36/h8-11,19,21-22,24-25,27-30,33,44-45H,7,12-18H2,1-6H3,(H2,38,41)(H,39,42)/t19?,21-,22?,24?,25-,27?,28+,29?,30+,33+,34?,35-,36?,37?/m1/s1",CCN1CC2(COC(=O)c3ccccc3NC(=O)C(C)CC(N)=O)CC[C@@H](OC)C34C5C[C@@H]6C(OC)C[C@@](O)(C5[C@H]6OC)C(O)([C@@H](OC)C23)[C@@H]14,C37H53N3O10,pos_1_1sodium1acetonitrile,699.373094896,NXAZXMKMGPWXII,Alkaloids,Tyrosine alkaloids,Hasubanan alkaloids,Delphinium majus,6131723.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium majus'],6,0,6.0 96809,3753,-1,,,,0.0,MS1_match,NXAZXMKMGPWXII-OWBGXFSJSA-N,"InChI=1S/C37H53N3O10/c1-7-40-17-34(18-50-32(43)20-10-8-9-11-23(20)39-31(42)19(2)14-26(38)41)13-12-25(47-4)36-22-15-21-24(46-3)16-35(44,27(22)28(21)48-5)37(45,33(36)40)30(49-6)29(34)36/h8-11,19,21-22,24-25,27-30,33,44-45H,7,12-18H2,1-6H3,(H2,38,41)(H,39,42)/t19?,21-,22?,24?,25?,27?,28?,29?,30?,33?,34?,35-,36?,37?/m1/s1",CCN1CC2(COC(=O)c3ccccc3NC(=O)C(C)CC(N)=O)CCC(OC)C34C5C[C@@H]6C(OC)C[C@@](O)(C5C6OC)C(O)(C(OC)C23)C14,C37H53N3O10,pos_1_1sodium1acetonitrile,699.373094896,NXAZXMKMGPWXII,Alkaloids,Tyrosine alkaloids,Hasubanan alkaloids,Delphinium potaninii,699542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium potaninii'],6,0,6.0 96810,3753,-1,,,,0.0,MS1_match,NXAZXMKMGPWXII-IGHBFZKASA-N,"InChI=1S/C37H53N3O10/c1-7-40-17-34(18-50-32(43)20-10-8-9-11-23(20)39-31(42)19(2)14-26(38)41)13-12-25(47-4)36-22-15-21-24(46-3)16-35(44,27(22)28(21)48-5)37(45,33(36)40)30(49-6)29(34)36/h8-11,19,21-22,24-25,27-30,33,44-45H,7,12-18H2,1-6H3,(H2,38,41)(H,39,42)/t19?,21-,22?,24?,25-,27?,28+,29?,30+,33+,34?,35-,36?,37?/m1/s1",CCN1CC2(COC(=O)c3ccccc3NC(=O)C(C)CC(N)=O)CC[C@@H](OC)C34C5C[C@@H]6C(OC)C[C@@](O)(C5[C@H]6OC)C(O)([C@@H](OC)C23)[C@@H]14,C37H53N3O10,pos_1_1sodium1acetonitrile,699.373094896,NXAZXMKMGPWXII,Alkaloids,Tyrosine alkaloids,Hasubanan alkaloids,Delphinium formosum,3944990.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium formosum'],6,0,6.0 96811,3753,-1,,,,0.0,MS1_match,NXAZXMKMGPWXII-OWBGXFSJSA-N,"InChI=1S/C37H53N3O10/c1-7-40-17-34(18-50-32(43)20-10-8-9-11-23(20)39-31(42)19(2)14-26(38)41)13-12-25(47-4)36-22-15-21-24(46-3)16-35(44,27(22)28(21)48-5)37(45,33(36)40)30(49-6)29(34)36/h8-11,19,21-22,24-25,27-30,33,44-45H,7,12-18H2,1-6H3,(H2,38,41)(H,39,42)/t19?,21-,22?,24?,25?,27?,28?,29?,30?,33?,34?,35-,36?,37?/m1/s1",CCN1CC2(COC(=O)c3ccccc3NC(=O)C(C)CC(N)=O)CCC(OC)C34C5C[C@@H]6C(OC)C[C@@](O)(C5C6OC)C(O)(C(OC)C23)C14,C37H53N3O10,pos_1_1sodium1acetonitrile,699.373094896,NXAZXMKMGPWXII,Alkaloids,Tyrosine alkaloids,Hasubanan alkaloids,Delphinium grandiflorum,1004833.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium grandiflorum'],6,0,6.0 96812,3753,-1,,,,0.0,MS1_match,NXAZXMKMGPWXII-CRNWGPEESA-N,"InChI=1S/C37H53N3O10/c1-7-40-17-34(18-50-32(43)20-10-8-9-11-23(20)39-31(42)19(2)14-26(38)41)13-12-25(47-4)36-22-15-21-24(46-3)16-35(44,27(22)28(21)48-5)37(45,33(36)40)30(49-6)29(34)36/h8-11,19,21-22,24-25,27-30,33,44-45H,7,12-18H2,1-6H3,(H2,38,41)(H,39,42)/t19-,21-,22-,24+,25+,27-,28+,29-,30+,33+,34+,35-,36+,37-/m1/s1",CCN1C[C@]2(COC(=O)c3ccccc3NC(=O)[C@H](C)CC(N)=O)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C37H53N3O10,pos_1_1sodium1acetonitrile,699.373094896,NXAZXMKMGPWXII,Alkaloids,Tyrosine alkaloids,Hasubanan alkaloids,Delphinium delavayi,70138.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium delavayi'],6,0,6.0 96813,3753,-1,,,,0.0,MS1_match,NXAZXMKMGPWXII-CRNWGPEESA-N,"InChI=1S/C37H53N3O10/c1-7-40-17-34(18-50-32(43)20-10-8-9-11-23(20)39-31(42)19(2)14-26(38)41)13-12-25(47-4)36-22-15-21-24(46-3)16-35(44,27(22)28(21)48-5)37(45,33(36)40)30(49-6)29(34)36/h8-11,19,21-22,24-25,27-30,33,44-45H,7,12-18H2,1-6H3,(H2,38,41)(H,39,42)/t19-,21-,22-,24+,25+,27-,28+,29-,30+,33+,34+,35-,36+,37-/m1/s1",CCN1C[C@]2(COC(=O)c3ccccc3NC(=O)[C@H](C)CC(N)=O)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C37H53N3O10,pos_1_1sodium1acetonitrile,699.373094896,NXAZXMKMGPWXII,Alkaloids,Tyrosine alkaloids,Hasubanan alkaloids,Delphinium umbrosum,5737858.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium umbrosum'],6,0,6.0 96814,3753,-1,,,,0.0,MS1_match,NXAZXMKMGPWXII-WJBUYGCISA-N,"InChI=1S/C37H53N3O10/c1-7-40-17-34(18-50-32(43)20-10-8-9-11-23(20)39-31(42)19(2)14-26(38)41)13-12-25(47-4)36-22-15-21-24(46-3)16-35(44,27(22)28(21)48-5)37(45,33(36)40)30(49-6)29(34)36/h8-11,19,21-22,24-25,27-30,33,44-45H,7,12-18H2,1-6H3,(H2,38,41)(H,39,42)/t19-,21-,22-,24+,25-,27-,28+,29-,30+,33+,34+,35-,36+,37-/m1/s1",CCN1C[C@]2(COC(=O)c3ccccc3NC(=O)[C@H](C)CC(N)=O)CC[C@@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C37H53N3O10,pos_1_1sodium1acetonitrile,699.373094896,NXAZXMKMGPWXII,Alkaloids,Tyrosine alkaloids,Hasubanan alkaloids,Delphinium dictyocarpum,6131639.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium dictyocarpum'],6,0,6.0 96741,3752,205,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.770679,ISDB,DLDZDBDYUZLISX-QGZVFWFLSA-N,"InChI=1S/C19H23NO3/c1-20-9-8-14-11-19(23-3)18(21)12-16(14)17(20)10-13-4-6-15(22-2)7-5-13/h4-7,11-12,17,21H,8-10H2,1-3H3/t17-/m1/s1",COc1ccc(C[C@@H]2c3cc(O)c(OC)cc3CCN2C)cc1,C19H23NO3,,313.167793596,DLDZDBDYUZLISX,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Aconitum leucostomum,723178.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum leucostomum'],6,3,10.58271598815918 96570,3751,186,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.6558957,ISDB,BRYZTZMVXZZLPD-UHFFFAOYSA-N,"InChI=1S/C22H22O11/c1-31-14-6-12(27)16-11(26)5-13(8-2-3-9(24)10(25)4-8)32-21(16)17(14)22-20(30)19(29)18(28)15(7-23)33-22/h2-6,15,18-20,22-25,27-30H,7H2,1H3",COc1cc(O)c2c(=O)cc(-c3ccc(O)c(O)c3)oc2c1C1OC(CO)C(O)C(O)C1O,C22H22O11,,462.116211524,BRYZTZMVXZZLPD,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Trollius chinensis,877307.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Adonideae'],['Trollius'],['Trollius chinensis'],6,3,10.12358283996582 96571,3751,186,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.6558957,ISDB,BRYZTZMVXZZLPD-PGPONNFDSA-N,"InChI=1S/C22H22O11/c1-31-14-6-12(27)16-11(26)5-13(8-2-3-9(24)10(25)4-8)32-21(16)17(14)22-20(30)19(29)18(28)15(7-23)33-22/h2-6,15,18-20,22-25,27-30H,7H2,1H3/t15-,18-,19+,20-,22+/m1/s1",COc1cc(O)c2c(=O)cc(-c3ccc(O)c(O)c3)oc2c1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C22H22O11,,462.1162115239999,BRYZTZMVXZZLPD,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Trollius ledebourii,841872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Adonideae'],['Trollius'],['Trollius ledebouri'],6,3,10.12358283996582 96568,3750,-1,,,,0.0,MS1_match,LHSMCOYXDSMPQS-ULBWLWKQSA-N,"InChI=1S/C21H27NO4/c1-9-5-20-6-11(23)16-19(2)8-22(3)17-14(20)15(25)10(9)4-13(20)21(16,17)7-12(24)18(19)26/h10,12-14,16-18,24,26H,1,4-8H2,2-3H3/t10-,12+,13+,14+,16+,17+,18+,19-,20+,21+/m0/s1",C=C1C[C@]23CC(=O)[C@@H]4[C@]5(C)CN(C)[C@@H]6[C@H]2C(=O)[C@H]1C[C@H]3[C@]46C[C@@H](O)[C@H]5O,C21H27NO4,pos_1_minus1proton2potassium,357.194008344,LHSMCOYXDSMPQS,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium albiflorum,6131751.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium albiflorum'],6,0,6.0 96569,3750,-1,,,,0.0,MS1_match,LHSMCOYXDSMPQS-UHFFFAOYSA-N,"InChI=1S/C21H27NO4/c1-9-5-20-6-11(23)16-19(2)8-22(3)17-14(20)15(25)10(9)4-13(20)21(16,17)7-12(24)18(19)26/h10,12-14,16-18,24,26H,1,4-8H2,2-3H3",C=C1CC23CC(=O)C4C5(C)CN(C)C6C2C(=O)C1CC3C64CC(O)C5O,C21H27NO4,pos_1_minus1proton2potassium,357.194008344,LHSMCOYXDSMPQS,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum heterophyllum,124446.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum heterophyllum'],6,0,6.0 96402,3744,58,Polyketides,Glycerolipids,Glycosyldiacylglycerols,0.74246013,ISDB,KQBASRSRJMDOBH-GOSISDBHSA-N,"InChI=1S/C21H34O3/c1-3-4-5-6-7-8-9-10-11-12-18-13-17-14-19(23-2)15-21(22)20(17)16-24-18/h14-15,18,22H,3-13,16H2,1-2H3/t18-/m1/s1",CCCCCCCCCCC[C@@H]1Cc2cc(OC)cc(O)c2CO1,C21H34O3,,334.250794948,KQBASRSRJMDOBH,Polyketides,Chromanes,Azaphilones,Ononis natrix,1072855.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Ononis'],['Ononis natrix'],4,1,7.4698405265808105 96401,3743,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.4691855,ISDB,,,,,,,DTTFADJLKIVYMT,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.8767420053482056 96399,3740,638,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.0,MS1_match,TYJPPVWEHLOVDX-SRPPIYJJSA-N,"InChI=1S/C33H32O14/c1-44-32-21(37)3-12(4-22(32)38)29-26(42)9-17-27(46-29)11-20(36)14(28(17)43)7-15-18(34)10-19(35)16-8-25(41)30(47-31(15)16)13-5-23(39)33(45-2)24(40)6-13/h3-6,10-11,25-26,29-30,34-43H,7-9H2,1-2H3/t25-,26-,29+,30+/m0/s1",COc1c(O)cc([C@H]2Oc3cc(O)c(Cc4c(O)cc(O)c5c4O[C@H](c4cc(O)c(OC)c(O)c4)[C@@H](O)C5)c(O)c3C[C@@H]2O)cc1O,C33H32O14,pos_2_1proton1sodium,652.179205704,TYJPPVWEHLOVDX,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Tripterygium wilfordii,300831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium wilfordii'],6,3,7.5 96400,3740,638,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.0,MS1_match,TYJPPVWEHLOVDX-SRPPIYJJSA-N,"InChI=1S/C33H32O14/c1-44-32-21(37)3-12(4-22(32)38)29-26(42)9-17-27(46-29)11-20(36)14(28(17)43)7-15-18(34)10-19(35)16-8-25(41)30(47-31(15)16)13-5-23(39)33(45-2)24(40)6-13/h3-6,10-11,25-26,29-30,34-43H,7-9H2,1-2H3/t25-,26-,29+,30+/m0/s1",COc1c(O)cc([C@H]2Oc3cc(O)c(Cc4c(O)cc(O)c5c4O[C@H](c4cc(O)c(OC)c(O)c4)[C@@H](O)C5)c(O)c3C[C@@H]2O)cc1O,C33H32O14,pos_2_1proton1sodium,652.179205704,TYJPPVWEHLOVDX,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Tripterygium regelii,483028.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium regelii'],6,3,7.5 96377,3736,37,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.33046615,ISDB,QFDYIDGUKXRPKH-VSLGLSMXSA-N,"InChI=1S/C44H78NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-23,42H,6-7,9,11-13,18-19,24-41H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,23-21-/t42-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC,C44H78NO8P,,779.546505086,QFDYIDGUKXRPKH,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Aphis gossypii,1026471.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hemiptera'],['Aphididae'],['Aphidini'],['Aphis'],['Aphis gossypii'],1,3,3.821864604949951 96378,3736,37,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.33046615,ISDB,QFDYIDGUKXRPKH-VSLGLSMXSA-N,"InChI=1S/C44H78NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-23,42H,6-7,9,11-13,18-19,24-41H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,23-21-/t42-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC,C44H78NO8P,,779.546505086,QFDYIDGUKXRPKH,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Lysiphlebia japonica,697724.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hymenoptera'],['Braconidae'],['Unknown'],['Lysiphlebia'],['Lysiphlebia japonica'],1,3,3.821864604949951 96375,3735,228,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,HRAKXIGVAPGHEW-XHHYMNQSSA-N,"InChI=1S/C21H36O10/c1-10(2)5-16(24)31-15-6-12(11(3)7-22)13(21(15,4)28)9-29-20-19(27)18(26)17(25)14(8-23)30-20/h10,12-15,17-20,22-23,25-28H,3,5-9H2,1-2,4H3/t12-,13+,14-,15+,17-,18+,19-,20-,21+/m1/s1",C=C(CO)[C@H]1C[C@H](OC(=O)CC(C)C)[C@@](C)(O)[C@H]1CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C21H36O10,pos_1_1proton1ammonium,448.23084735199984,HRAKXIGVAPGHEW,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia scabra,68239.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia scabra'],6,2,7.0 96376,3735,228,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,HRAKXIGVAPGHEW-XHHYMNQSSA-N,"InChI=1S/C21H36O10/c1-10(2)5-16(24)31-15-6-12(11(3)7-22)13(21(15,4)28)9-29-20-19(27)18(26)17(25)14(8-23)30-20/h10,12-15,17-20,22-23,25-28H,3,5-9H2,1-2,4H3/t12-,13+,14-,15+,17-,18+,19-,20-,21+/m1/s1",C=C(CO)[C@H]1C[C@H](OC(=O)CC(C)C)[C@@](C)(O)[C@H]1CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C21H36O10,pos_1_1proton1ammonium,448.23084735199984,HRAKXIGVAPGHEW,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia scabra,68239.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia scabra'],6,2,7.0 96373,3733,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,KVSQIVFQSWVUGM-GHADIOTFSA-N,"InChI=1S/C21H36O8/c1-9-5-12(23)15-10(9)6-11-13(7-21(15,4)29-20(11,2)3)27-19-18(26)17(25)16(24)14(8-22)28-19/h9-19,22-26H,5-8H2,1-4H3/t9-,10-,11+,12-,13+,14-,15+,16-,17+,18-,19+,21+/m1/s1",C[C@@H]1C[C@@H](O)[C@@H]2[C@@H]1C[C@H]1[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C[C@]2(C)OC1(C)C,C21H36O8,pos_1_sodium,416.241018112,KVSQIVFQSWVUGM,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,1,6.5 96374,3733,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,KVSQIVFQSWVUGM-GHADIOTFSA-N,"InChI=1S/C21H36O8/c1-9-5-12(23)15-10(9)6-11-13(7-21(15,4)29-20(11,2)3)27-19-18(26)17(25)16(24)14(8-22)28-19/h9-19,22-26H,5-8H2,1-4H3/t9-,10-,11+,12-,13+,14-,15+,16-,17+,18-,19+,21+/m1/s1",C[C@@H]1C[C@@H](O)[C@@H]2[C@@H]1C[C@H]1[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C[C@]2(C)OC1(C)C,C21H36O8,pos_1_sodium,416.241018112,KVSQIVFQSWVUGM,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Valeriana fauriei,228778.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana fauriei'],6,1,6.5 96272,3732,205,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.6630553,ISDB,BOKVLBSSPUTWLV-INIZCTEOSA-N,"InChI=1S/C18H21NO3/c1-19-8-7-13-10-18(22-2)17(21)11-15(13)16(19)9-12-3-5-14(20)6-4-12/h3-6,10-11,16,20-21H,7-9H2,1-2H3/t16-/m0/s1",COc1cc2c(cc1O)[C@H](Cc1ccc(O)cc1)N(C)CC2,C18H21NO3,,299.152143532,BOKVLBSSPUTWLV,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Clematis parviloba,5737758.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis parviloba'],8,3,12.152221202850342 96266,3731,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,BKATZVAUANSCKN-QWRGUYRKSA-N,"InChI=1S/C12H18O2/c1-8(13)14-7-9-4-5-10-6-11(9)12(10,2)3/h4,10-11H,5-7H2,1-3H3/t10-,11-/m0/s1",CC(=O)OCC1=CC[C@H]2C[C@@H]1C2(C)C,C12H18O2,pos_1_1proton1methanol,194.130679816,BKATZVAUANSCKN,Terpenoids,Monoterpenoids,Pinane monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,2,7.0 96267,3731,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,PBWRFXQNNGSAQG-UHFFFAOYSA-N,"InChI=1S/C12H18O2/c1-7(2)12-5-10(12)8(3)11(6-12)14-9(4)13/h7,10-11H,3,5-6H2,1-2,4H3",C=C1C(OC(C)=O)CC2(C(C)C)CC12,C12H18O2,pos_1_1proton1methanol,194.130679816,PBWRFXQNNGSAQG,Terpenoids,Monoterpenoids,Thujane monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,2,7.0 96269,3731,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,RWENJYLCELUBAE-UHFFFAOYSA-N,"InChI=1S/C12H18O2/c1-8(2)10-6-11(13-4)9(3)12(7-10)14-5/h6-8H,1-5H3",COc1cc(C(C)C)cc(OC)c1C,C12H18O2,pos_1_1proton1methanol,194.130679816,RWENJYLCELUBAE,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,2,7.0 96270,3731,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,GVZSSHYAFJPRJY-GARJFASQSA-N,"InChI=1S/C12H18O2/c1-7-10-5-9(12(7,3)4)6-11(10)14-8(2)13/h9-11H,1,5-6H2,2-4H3/t9-,10-,11+/m0/s1",C=C1[C@@H]2C[C@@H](C[C@H]2OC(C)=O)C1(C)C,C12H18O2,pos_1_1proton1methanol,194.130679816,GVZSSHYAFJPRJY,Terpenoids,Monoterpenoids,Camphane monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,2,7.0 96271,3731,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,OZBFUQLOVFXDNK-VWYCJHECSA-N,"InChI=1S/C12H18O2/c1-7-5-11(14-8(2)13)10-6-9(7)12(10,3)4/h5,9-11H,6H2,1-4H3/t9-,10+,11+/m1/s1",CC(=O)O[C@H]1C=C(C)[C@H]2C[C@@H]1C2(C)C,C12H18O2,pos_1_1proton1methanol,194.130679816,OZBFUQLOVFXDNK,Terpenoids,Monoterpenoids,Pinane monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,2,7.0 96263,3728,-1,,,,0.0,MS1_match,OXZSUQJHKQOGOK-UHFFFAOYSA-N,"InChI=1S/C12H16O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h5-8H,1-4H3",CC(=O)Oc1cc(C(C)C)ccc1C,C12H16O2,pos_2MNa,192.115029752,OXZSUQJHKQOGOK,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,0,6.0 96264,3728,-1,,,,0.0,MS1_match,YWSIMWUTQXMOSD-FXAINCCUSA-N,"InChI=1S/C12H16O2/c1-8-4-3-5-9-10(13)6-7-11(14)12(8,9)2/h5-8,11,14H,3-4H2,1-2H3/t8-,11-,12+/m1/s1",C[C@@H]1CCC=C2C(=O)C=C[C@@H](O)[C@]21C,C12H16O2,pos_2MNa,192.115029752,YWSIMWUTQXMOSD,Terpenoids,Sesquiterpenoids,Nardosinane sesquiterpenoids,Nardostachys jatamansi,24101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Nardostachys'],['Nardostachys jatamansi'],6,0,6.0 96265,3728,-1,,,,0.0,MS1_match,YHPFWEDUGHFFTA-UHFFFAOYSA-N,"InChI=1S/C24H32O4/c1-22-10-7-17(25)13-16(22)4-5-20-19(22)8-11-23(2)18(9-12-24(20,23)27)15-3-6-21(26)28-14-15/h3,6,14,16,18-20,27H,4-5,7-13H2,1-2H3",CC12CCC(=O)CC1CCC1C2CCC2(C)C(c3ccc(=O)oc3)CCC12O,C24H32O4,pos_1_sodium,384.230059504,YHPFWEDUGHFFTA,Terpenoids,Steroids,Bufadienolides,Helleborus odorus,648059.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Helleboreae'],['Helleborus'],['Helleborus odorus'],6,0,6.0 95360,3727,242,Fatty acids,Sesquiterpenoids,Furans,0.685988,ISDB,YZXBAPSDXZZRGB-DOFZRALJSA-N,"InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-",CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O,C20H32O2,,304.240230264,YZXBAPSDXZZRGB,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Nigella sativa,142360.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Nigelleae'],['Nigella'],['Nigella sativa'],6,1,9.24395203590393 95361,3727,242,Fatty acids,Sesquiterpenoids,Furans,0.685988,ISDB,YZXBAPSDXZZRGB-DOFZRALJSA-N,"InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-",CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O,C20H32O2,,304.240230264,YZXBAPSDXZZRGB,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Delphinium staphisagria,969162.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Staphisagria'],['Staphisagria macrosperma'],6,1,9.24395203590393 95362,3727,242,Fatty acids,Sesquiterpenoids,Furans,0.685988,ISDB,YZXBAPSDXZZRGB-DOFZRALJSA-N,"InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-",CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O,C20H32O2,,304.240230264,YZXBAPSDXZZRGB,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Staphisagria macrosperma,969162.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Staphisagria'],['Staphisagria macrosperma'],6,1,9.24395203590393 95355,3726,93,Alkaloids,Tryptophan alkaloids,Betalain alkaloids,0.52231216,ISDB,ZXPPNUYENJSSMO-UHFFFAOYSA-N,"InChI=1S/C16H16N2O4/c19-14-8-11-3-6-18(13(11)9-15(14)20)5-2-10-1-4-17-12(7-10)16(21)22/h1-2,4-5,8-9,12,19-20H,3,6-7H2,(H,21,22)",O=C(O)C1CC(C=CN2CCc3cc(O)c(O)cc32)=CC=N1,C16H16N2O4,,300.111006992,ZXPPNUYENJSSMO,Alkaloids,Tyrosine alkaloids,Betalain alkaloids,Beta vulgaris,273185.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Chenopodiaceae'],['Unknown'],['Beta'],['Beta vulgaris'],4,3,7.5892486572265625 95354,3724,-1,,,,0.0,MS1_match,OXPXIQPEHBLBIX-VMOHQDNESA-N,"InChI=1S/C43H70O16/c1-19-15-22(33(38(5,6)52)55-20(2)45)59-43(53)32(19)39(7)13-14-42-18-41(42)12-11-26(57-34-30(50)27(47)21(46)17-54-34)37(3,4)24(41)9-10-25(42)40(39,8)36(43)58-35-31(51)29(49)28(48)23(16-44)56-35/h19,21-36,44,46-53H,9-18H2,1-8H3/t19-,21-,22-,23-,24+,25+,26+,27+,28-,29+,30-,31-,32-,33+,34+,35+,36-,39-,40-,41-,42+,43+/m1/s1",CC(=O)O[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@](O)(O1)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O,C43H70O16,pos_2_2sodium,842.46638616,OXPXIQPEHBLBIX,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Actaea dahurica,462227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea dahurica'],6,0,6.0 95338,3722,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.7129026,ISDB,FHVJHEHGTUHWEN-GKEPGTTFSA-N,"InChI=1S/C20H36O/c1-15(11-14-21)9-12-19(4)17(3)10-13-20(5)16(2)7-6-8-18(19)20/h7,15,17-18,21H,6,8-14H2,1-5H3/t15?,17-,18-,19+,20+/m1/s1",CC1=CCC[C@@H]2[C@@](C)(CCC(C)CCO)[C@H](C)CC[C@@]12C,C20H36O,,292.276615772,FHVJHEHGTUHWEN,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Aristolochia ringens,603722.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Aristolochiaceae'],['Unknown'],['Aristolochia'],['Aristolochia ringens'],4,0,6.851610422134399 95339,3722,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.7129026,ISDB,FHVJHEHGTUHWEN-GKEPGTTFSA-N,"InChI=1S/C20H36O/c1-15(11-14-21)9-12-19(4)17(3)10-13-20(5)16(2)7-6-8-18(19)20/h7,15,17-18,21H,6,8-14H2,1-5H3/t15?,17-,18-,19+,20+/m1/s1",CC1=CCC[C@@H]2[C@@](C)(CCC(C)CCO)[C@H](C)CC[C@@]12C,C20H36O,,292.276615772,FHVJHEHGTUHWEN,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Aristolochia galeata,867589.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Aristolochiaceae'],['Unknown'],['Aristolochia'],['Aristolochia galeata'],4,0,6.851610422134399 95340,3722,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.7129026,ISDB,FHVJHEHGTUHWEN-GKEPGTTFSA-N,"InChI=1S/C20H36O/c1-15(11-14-21)9-12-19(4)17(3)10-13-20(5)16(2)7-6-8-18(19)20/h7,15,17-18,21H,6,8-14H2,1-5H3/t15?,17-,18-,19+,20+/m1/s1",CC1=CCC[C@@H]2[C@@](C)(CCC(C)CCO)[C@H](C)CC[C@@]12C,C20H36O,,292.276615772,FHVJHEHGTUHWEN,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Aristolochia labiata,493966.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Aristolochiaceae'],['Unknown'],['Aristolochia'],['Aristolochia labiata'],4,0,6.851610422134399 94906,3717,242,Fatty acids,Sesquiterpenoids,Furans,0.50525266,ISDB,MERNDSYNQMXZSE-JTQWSMNPSA-N,"InChI=1S/C20H34O3/c1-2-3-4-5-7-10-13-16-19(21)17-14-11-8-6-9-12-15-18-20(22)23/h3-4,7,10,13,16,19,21H,2,5-6,8-9,11-12,14-15,17-18H2,1H3,(H,22,23)/b4-3+,10-7+,16-13+/t19-/m0/s1",CC/C=C/C/C=C/C=C/[C@H](O)CCCCCCCCCC(=O)O,C20H34O3,,322.250794948,MERNDSYNQMXZSE,Fatty acids,Octadecanoids,Other Octadecanoids,Ilex integra,751453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Aquifoliales'],['Aquifoliaceae'],['Unknown'],['Ilex'],['Ilex integra'],4,1,6.521010637283325 94874,3716,1083,Terpenoids,Diterpenoids,Other Octadecanoids,0.39853978,ISDB,PQPRTPXWQQQKJC-UHFFFAOYSA-N,"InChI=1S/C18H26O4/c1-2-16(19)12-8-6-7-10-14-17(20)13-9-4-3-5-11-15-18(21)22/h6-8,10,12,14H,2-5,9,11,13,15H2,1H3,(H,21,22)",CCC(=O)C=CC=CC=CC(=O)CCCCCCCC(=O)O,C18H26O4,,306.183109312,PQPRTPXWQQQKJC,Fatty acids,Octadecanoids,Other Octadecanoids,Helianthus hirsutus,1020858.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Helianthus'],['Helianthus hirsutus'],4,3,7.094159126281738 94869,3714,540,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,YFVGIJBUXMQFOF-PJOVQGMDSA-N,"InChI=1S/C28H32O14/c1-11-21(31)23(33)25(35)27(39-11)38-10-19-22(32)24(34)26(36)28(42-19)40-14-7-15(29)20-16(30)9-17(41-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-9,11,19,21-29,31-36H,10H2,1-2H3/t11-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1",COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1,C28H32O14,pos_2_2proton2acetonitrile,592.1792057039999,YFVGIJBUXMQFOF,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Nardostachys jatamansi,24101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Nardostachys'],['Nardostachys jatamansi'],6,3,7.5 94870,3714,540,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,YFVGIJBUXMQFOF-PJOVQGMDSA-N,"InChI=1S/C28H32O14/c1-11-21(31)23(33)25(35)27(39-11)38-10-19-22(32)24(34)26(36)28(42-19)40-14-7-15(29)20-16(30)9-17(41-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-9,11,19,21-29,31-36H,10H2,1-2H3/t11-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1",COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1,C28H32O14,pos_2_2proton2acetonitrile,592.1792057039999,YFVGIJBUXMQFOF,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Thalictrum simplex,243507.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum simplex'],6,3,7.5 94871,3714,540,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,YFVGIJBUXMQFOF-PJOVQGMDSA-N,"InChI=1S/C28H32O14/c1-11-21(31)23(33)25(35)27(39-11)38-10-19-22(32)24(34)26(36)28(42-19)40-14-7-15(29)20-16(30)9-17(41-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-9,11,19,21-29,31-36H,10H2,1-2H3/t11-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1",COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1,C28H32O14,pos_2_2proton2acetonitrile,592.1792057039999,YFVGIJBUXMQFOF,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Nardostachys jatamansi,24101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Nardostachys'],['Nardostachys jatamansi'],6,3,7.5 94872,3714,540,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,YFVGIJBUXMQFOF-PJOVQGMDSA-N,"InChI=1S/C28H32O14/c1-11-21(31)23(33)25(35)27(39-11)38-10-19-22(32)24(34)26(36)28(42-19)40-14-7-15(29)20-16(30)9-17(41-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-9,11,19,21-29,31-36H,10H2,1-2H3/t11-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1",COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1,C28H32O14,pos_2_2proton2acetonitrile,592.1792057039999,YFVGIJBUXMQFOF,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Thalictrum simplex,243507.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum simplex'],6,3,7.5 94873,3714,540,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,MLWDGPFGTFOLRJ-CUVHLRMHSA-N,"InChI=1S/C28H32O14/c1-11-21(32)23(34)25(36)27(38-11)42-26-24(35)22(33)19(10-29)41-28(26)39-14-7-15(30)20-16(31)9-17(40-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-9,11,19,21-30,32-36H,10H2,1-2H3/t11-,19+,21-,22+,23+,24-,25+,26+,27-,28+/m0/s1",COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)cc3o2)cc1,C28H32O14,pos_2_2proton2acetonitrile,592.179205704,MLWDGPFGTFOLRJ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Trollius ledebourii,841872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Adonideae'],['Trollius'],['Trollius ledebouri'],6,3,7.5 94865,3712,55,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,YVPYMQHYESYLIR-HZKWNRCISA-N,"InChI=1S/C36H51NO12/c1-9-37-16-33(17-42-3)23(39)13-24(45-6)36-20-14-34(41)25(46-7)15-35(49-18(2)38,27(30(36)37)28(47-8)29(33)36)26(20)31(34)48-32(40)19-10-11-21(43-4)22(12-19)44-5/h10-12,20,23-31,39,41H,9,13-17H2,1-8H3/t20-,23-,24+,25+,26-,27+,28+,29-,30-,31-,33+,34+,35-,36+/m1/s1",CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@@]34[C@@H]5C[C@]6(O)[C@@H](OC)C[C@@](OC(C)=O)([C@H]5[C@H]6OC(=O)c5ccc(OC)c(OC)c5)[C@@H]([C@H](OC)[C@H]23)[C@@H]14,C36H51NO12,pos_1_1proton,689.341126072,YVPYMQHYESYLIR,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum lethale,6131432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum lethale'],6,3,7.5 94866,3712,55,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,YVPYMQHYESYLIR-HZKWNRCISA-N,"InChI=1S/C36H51NO12/c1-9-37-16-33(17-42-3)23(39)13-24(45-6)36-20-14-34(41)25(46-7)15-35(49-18(2)38,27(30(36)37)28(47-8)29(33)36)26(20)31(34)48-32(40)19-10-11-21(43-4)22(12-19)44-5/h10-12,20,23-31,39,41H,9,13-17H2,1-8H3/t20-,23-,24+,25+,26-,27+,28+,29-,30-,31-,33+,34+,35-,36+/m1/s1",CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@@]34[C@@H]5C[C@]6(O)[C@@H](OC)C[C@@](OC(C)=O)([C@H]5[C@H]6OC(=O)c5ccc(OC)c(OC)c5)[C@@H]([C@H](OC)[C@H]23)[C@@H]14,C36H51NO12,pos_1_1proton,689.341126072,YVPYMQHYESYLIR,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum falconeri,6131385.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum falconeri'],6,3,7.5 94867,3712,55,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,YVPYMQHYESYLIR-HZKWNRCISA-N,"InChI=1S/C36H51NO12/c1-9-37-16-33(17-42-3)23(39)13-24(45-6)36-20-14-34(41)25(46-7)15-35(49-18(2)38,27(30(36)37)28(47-8)29(33)36)26(20)31(34)48-32(40)19-10-11-21(43-4)22(12-19)44-5/h10-12,20,23-31,39,41H,9,13-17H2,1-8H3/t20-,23-,24+,25+,26-,27+,28+,29-,30-,31-,33+,34+,35-,36+/m1/s1",CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@@]34[C@@H]5C[C@]6(O)[C@@H](OC)C[C@@](OC(C)=O)([C@H]5[C@H]6OC(=O)c5ccc(OC)c(OC)c5)[C@@H]([C@H](OC)[C@H]23)[C@@H]14,C36H51NO12,pos_1_1proton,689.341126072,YVPYMQHYESYLIR,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum balfourii,698586.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum balfourii'],6,3,7.5 94868,3712,55,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,YVPYMQHYESYLIR-LQOPVHPFSA-N,"InChI=1S/C36H51NO12/c1-9-37-16-33(17-42-3)23(39)13-24(45-6)36-20-14-34(41)25(46-7)15-35(49-18(2)38,27(30(36)37)28(47-8)29(33)36)26(20)31(34)48-32(40)19-10-11-21(43-4)22(12-19)44-5/h10-12,20,23-31,39,41H,9,13-17H2,1-8H3/t20-,23-,24+,25+,26-,27-,28+,29+,30+,31+,33-,34+,35-,36-/m0/s1",CCN1C[C@@]2(COC)[C@H]3[C@H](OC)[C@H]4[C@@H]1[C@]3([C@H](OC)C[C@@H]2O)[C@H]1C[C@]2(O)[C@H](OC(=O)c3ccc(OC)c(OC)c3)[C@H]1[C@@]4(OC(C)=O)C[C@H]2OC,C36H51NO12,pos_1_1proton,689.341126072,YVPYMQHYESYLIR,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum ferox,1014250.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum ferox'],6,3,7.5 94864,3711,-1,,,,0.2269681,ISDB,,,,,,,CYGFHEVFZXDUGH,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.9078723788261414 94790,3708,-1,,,,0.49435267,ISDB,BLNDDYNVUIBQFL-KSQKUNDXSA-N,"InChI=1S/C19H32O3/c1-3-4-5-6-8-11-14-17-22-18-15-12-9-7-10-13-16-19(20)21-2/h8,11,14-15,17-18H,3-7,9-10,12-13,16H2,1-2H3/b11-8-,17-14+,18-15+",CCCCC/C=C\C=C\O/C=C/CCCCCCC(=O)OC,C19H32O3,,308.235144884,BLNDDYNVUIBQFL,Fatty acids,Fatty acyls,Fatty ethers,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],4,0,5.977410674095154 94769,3704,607,Terpenoids,Sesquiterpenoids,Drimane sesquiterpenoids,0.0,MS1_match,YEUIANWBIIZWTM-KORLLVGLSA-N,"InChI=1S/C30H46O4/c1-16(2)17-9-10-20-28(6)14-19(32)24-25(29(28,7)15-23(34)30(17,20)8)18(31)13-21-26(3,4)22(33)11-12-27(21,24)5/h16-17,20-23,33-34H,9-15H2,1-8H3/t17-,20+,21+,22-,23-,27+,28+,29-,30-/m1/s1",CC(C)[C@H]1CC[C@@H]2[C@]1(C)[C@H](O)C[C@]1(C)C3=C(C(=O)C[C@@]21C)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC3=O,C30H46O4,pos_2_1proton1sodium,470.339609952,YEUIANWBIIZWTM,Terpenoids,Triterpenoids,Fernane and Arborinane triterpenoids,Lonicera gracilipes,920854.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera gracilipes'],7,1,7.5 94770,3704,607,Terpenoids,Sesquiterpenoids,Drimane sesquiterpenoids,0.0,MS1_match,WCXZTKJFWJFMJG-AOIBKUJJSA-N,"InChI=1S/C30H46O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-22,31H,8-18H2,1-6H3,(H,33,34)/t20-,21+,22+,26-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H46O4,pos_2_1proton1sodium,470.33960995199993,WCXZTKJFWJFMJG,Terpenoids,Triterpenoids,Oleanane triterpenoids,Pulsatilla dahurica,972663.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Pulsatilla'],['Pulsatilla dahurica'],7,1,7.5 94771,3704,607,Terpenoids,Sesquiterpenoids,Drimane sesquiterpenoids,0.0,MS1_match,WCXZTKJFWJFMJG-AOIBKUJJSA-N,"InChI=1S/C30H46O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-22,31H,8-18H2,1-6H3,(H,33,34)/t20-,21+,22+,26-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H46O4,pos_2_1proton1sodium,470.33960995199993,WCXZTKJFWJFMJG,Terpenoids,Triterpenoids,Oleanane triterpenoids,Pulsatilla cernua,542352.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Pulsatilla'],['Pulsatilla cernua'],7,1,7.5 94772,3704,607,Terpenoids,Sesquiterpenoids,Drimane sesquiterpenoids,0.0,MS1_match,WCXZTKJFWJFMJG-UHFFFAOYSA-N,"InChI=1S/C30H46O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-22,31H,8-18H2,1-6H3,(H,33,34)",CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(=O)C(C)(CO)C5CCC43C)C2C1,C30H46O4,pos_2_1proton1sodium,470.339609952,WCXZTKJFWJFMJG,Terpenoids,Triterpenoids,Oleanane triterpenoids,Pulsatilla chinensis,34150.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Pulsatilla'],['Pulsatilla chinensis'],7,1,7.5 94773,3704,607,Terpenoids,Sesquiterpenoids,Drimane sesquiterpenoids,0.0,MS1_match,WCXZTKJFWJFMJG-AOIBKUJJSA-N,"InChI=1S/C30H46O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-22,31H,8-18H2,1-6H3,(H,33,34)/t20-,21+,22+,26-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H46O4,pos_2_1proton1sodium,470.33960995199993,WCXZTKJFWJFMJG,Terpenoids,Triterpenoids,Oleanane triterpenoids,Pulsatilla dahurica,972663.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Pulsatilla'],['Pulsatilla dahurica'],7,1,7.5 94774,3704,607,Terpenoids,Sesquiterpenoids,Drimane sesquiterpenoids,0.0,MS1_match,WCXZTKJFWJFMJG-AOIBKUJJSA-N,"InChI=1S/C30H46O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-22,31H,8-18H2,1-6H3,(H,33,34)/t20-,21+,22+,26-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H46O4,pos_2_1proton1sodium,470.33960995199993,WCXZTKJFWJFMJG,Terpenoids,Triterpenoids,Oleanane triterpenoids,Pulsatilla cernua,542352.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Pulsatilla'],['Pulsatilla cernua'],7,1,7.5 94775,3704,607,Terpenoids,Sesquiterpenoids,Drimane sesquiterpenoids,0.0,MS1_match,FRBHXYYJMYBCSK-SECHYRITSA-N,"InChI=1S/C30H46O4/c1-18(2)19-9-14-30(25(33)34)16-15-28(5)20(24(19)30)7-8-22-26(3)12-11-23(32)27(4,17-31)21(26)10-13-29(22,28)6/h19-22,24,31H,1,7-17H2,2-6H3,(H,33,34)/t19-,20+,21+,22+,24+,26-,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O4,pos_2_1proton1sodium,470.33960995199993,FRBHXYYJMYBCSK,Terpenoids,Triterpenoids,Lupane triterpenoids,Pulsatilla chinensis,34150.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Pulsatilla'],['Pulsatilla chinensis'],7,1,7.5 94776,3704,607,Terpenoids,Sesquiterpenoids,Drimane sesquiterpenoids,0.0,MS1_match,FRBHXYYJMYBCSK-SECHYRITSA-N,"InChI=1S/C30H46O4/c1-18(2)19-9-14-30(25(33)34)16-15-28(5)20(24(19)30)7-8-22-26(3)12-11-23(32)27(4,17-31)21(26)10-13-29(22,28)6/h19-22,24,31H,1,7-17H2,2-6H3,(H,33,34)/t19-,20+,21+,22+,24+,26-,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O4,pos_2_1proton1sodium,470.33960995199993,FRBHXYYJMYBCSK,Terpenoids,Triterpenoids,Lupane triterpenoids,Pulsatilla cernua,542352.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Pulsatilla'],['Pulsatilla cernua'],7,1,7.5 94777,3704,607,Terpenoids,Sesquiterpenoids,Drimane sesquiterpenoids,0.0,MS1_match,WCXZTKJFWJFMJG-UHFFFAOYSA-N,"InChI=1S/C30H46O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-22,31H,8-18H2,1-6H3,(H,33,34)",CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(=O)C(C)(CO)C5CCC43C)C2C1,C30H46O4,pos_2_1proton1sodium,470.339609952,WCXZTKJFWJFMJG,Terpenoids,Triterpenoids,Oleanane triterpenoids,Pulsatilla chinensis,34150.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Pulsatilla'],['Pulsatilla chinensis'],7,1,7.5 94768,3702,-1,,,,0.0,MS1_match,LTXSRTCDWQZECA-BCBCZSNPSA-N,"InChI=1S/C26H34O10/c1-15(9-10-33-20-12-18-17(11-19(20)32-3)7-8-22(28)35-18)5-4-6-16(2)14-34-26-25(31)24(30)23(29)21(13-27)36-26/h6-9,11-12,21,23-27,29-31H,4-5,10,13-14H2,1-3H3/b15-9+,16-6-/t21-,23+,24-,25-,26+/m0/s1",COc1cc2ccc(=O)oc2cc1OC/C=C(\C)CC/C=C(/C)CO[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O,C26H34O10,pos_1_sodium,506.215197288,LTXSRTCDWQZECA,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Coptis trifolia,982768.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Coptis'],['Coptis trifolia'],6,0,6.0 94734,3701,-1,,,,0.65825427,ISDB,PJRADUSKEHIPDZ-PHHSCZKOSA-N,"InChI=1S/C30H38O5/c1-16-9-7-11-20-13-29(21(14-26(16,20)5)18(3)23(31)33-29)30-22(19(4)24(32)34-30)15-27(6)17(2)10-8-12-28(27)25(30)35-28/h13,16-17,25H,7-12,14-15H2,1-6H3/t16-,17-,25+,26+,27+,28-,29-,30+/m1/s1",CC1=C2C[C@]3(C)C(=C[C@@]2([C@]24OC(=O)C(C)=C2C[C@@]2(C)[C@H](C)CCC[C@]25O[C@@H]54)OC1=O)CCC[C@H]3C,C30H38O5,,478.271924316,PJRADUSKEHIPDZ,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Ligularia fischeri,619951.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Ligularia'],['Ligularia fischeri'],4,0,6.633017063140869 94733,3698,62,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,ATFJUGCMEQBNLH-UHFFFAOYSA-N,"InChI=1S/C10H14O5/c1-10-6(12)2-4-5(3-11)9(15-10)14-8(13)7(4)10/h4-7,9,11-12H,2-3H2,1H3",CC12OC3OC(=O)C1C(CC2O)C3CO,C10H14O5,pos_2MHNH3,214.084123548,ATFJUGCMEQBNLH,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,3,7.5 94719,3693,707,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,HEYZWPRKKUGDCR-QBXMEVCASA-N,"InChI=1S/C16H22O10/c1-2-7-14(24-6-8-13(21)23-4-3-16(7,8)22)26-15-12(20)11(19)10(18)9(5-17)25-15/h2,6-7,9-12,14-15,17-20,22H,1,3-5H2/t7-,9+,10+,11-,12+,14-,15-,16+/m0/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCC[C@]21O,C16H22O10,pos_1_1proton1acetonitrile,374.1212969039999,HEYZWPRKKUGDCR,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 94720,3693,707,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,HEYZWPRKKUGDCR-QBXMEVCASA-N,"InChI=1S/C16H22O10/c1-2-7-14(24-6-8-13(21)23-4-3-16(7,8)22)26-15-12(20)11(19)10(18)9(5-17)25-15/h2,6-7,9-12,14-15,17-20,22H,1,3-5H2/t7-,9+,10+,11-,12+,14-,15-,16+/m0/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCC[C@]21O,C16H22O10,pos_1_1proton1acetonitrile,374.1212969039999,HEYZWPRKKUGDCR,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 94721,3693,707,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,PUEUIRDVQIKCCG-GMHYLCIRSA-N,"InChI=1S/C16H22O10/c1-2-7-8(3-4-17)9(14(22)23)6-24-15(7)26-16-13(21)12(20)11(19)10(5-18)25-16/h2,4,6-8,10-13,15-16,18-21H,1,3,5H2,(H,22,23)/t7?,8?,10-,11-,12+,13-,15+,16+/m1/s1",C=CC1C(CC=O)C(C(=O)O)=CO[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H22O10,pos_1_1proton1acetonitrile,374.1212969039999,PUEUIRDVQIKCCG,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 94722,3693,707,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,PUEUIRDVQIKCCG-UHFFFAOYSA-N,"InChI=1S/C16H22O10/c1-2-7-8(3-4-17)9(14(22)23)6-24-15(7)26-16-13(21)12(20)11(19)10(5-18)25-16/h2,4,6-8,10-13,15-16,18-21H,1,3,5H2,(H,22,23)",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)O)C1CC=O,C16H22O10,pos_1_1proton1acetonitrile,374.1212969039999,PUEUIRDVQIKCCG,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],7,3,8.5 94723,3693,707,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,PUEUIRDVQIKCCG-GMHYLCIRSA-N,"InChI=1S/C16H22O10/c1-2-7-8(3-4-17)9(14(22)23)6-24-15(7)26-16-13(21)12(20)11(19)10(5-18)25-16/h2,4,6-8,10-13,15-16,18-21H,1,3,5H2,(H,22,23)/t7?,8?,10-,11-,12+,13-,15+,16+/m1/s1",C=CC1C(CC=O)C(C(=O)O)=CO[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H22O10,pos_1_1proton1acetonitrile,374.1212969039999,PUEUIRDVQIKCCG,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 94724,3693,707,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,PUEUIRDVQIKCCG-UHFFFAOYSA-N,"InChI=1S/C16H22O10/c1-2-7-8(3-4-17)9(14(22)23)6-24-15(7)26-16-13(21)12(20)11(19)10(5-18)25-16/h2,4,6-8,10-13,15-16,18-21H,1,3,5H2,(H,22,23)",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)O)C1CC=O,C16H22O10,pos_1_1proton1acetonitrile,374.1212969039999,PUEUIRDVQIKCCG,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],7,3,8.5 94701,3687,-1,,,,0.0,MS1_match,OKJADYKTJJGKDX-UHFFFAOYSA-N,"InChI=1S/C9H18O2/c1-3-5-7-9(10)11-8-6-4-2/h3-8H2,1-2H3",CCCCOC(=O)CCCC,C9H18O2,pos_2MH,158.130679816,OKJADYKTJJGKDX,Fatty acids,Fatty esters,Wax monoesters,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 94702,3687,-1,,,,0.0,MS1_match,FBUKVWPVBMHYJY-UHFFFAOYSA-N,"InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)",CCCCCCCCC(=O)O,C9H18O2,pos_2MH,158.130679816,FBUKVWPVBMHYJY,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Cimicifuga simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],6,0,6.0 94703,3687,-1,,,,0.0,MS1_match,FBUKVWPVBMHYJY-UHFFFAOYSA-N,"InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)",CCCCCCCCC(=O)O,C9H18O2,pos_2MH,158.130679816,FBUKVWPVBMHYJY,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Actaea simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],6,0,6.0 94704,3687,-1,,,,0.0,MS1_match,FBUKVWPVBMHYJY-UHFFFAOYSA-N,"InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)",CCCCCCCCC(=O)O,C9H18O2,pos_2MH,158.130679816,FBUKVWPVBMHYJY,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Delphinium staphisagria,969162.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Staphisagria'],['Staphisagria macrosperma'],6,0,6.0 94705,3687,-1,,,,0.0,MS1_match,FBUKVWPVBMHYJY-UHFFFAOYSA-N,"InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)",CCCCCCCCC(=O)O,C9H18O2,pos_2MH,158.130679816,FBUKVWPVBMHYJY,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Staphisagria macrosperma,969162.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Staphisagria'],['Staphisagria macrosperma'],6,0,6.0 94706,3687,-1,,,,0.0,MS1_match,ADNADZOSMJDVIS-UHFFFAOYSA-N,"InChI=1S/C9H18O2/c1-4-5-6-9(10)11-7-8(2)3/h8H,4-7H2,1-3H3",CCCCC(=O)OCC(C)C,C9H18O2,pos_2MH,158.130679816,ADNADZOSMJDVIS,Fatty acids,Fatty esters,Wax monoesters,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 94699,3686,-1,,,,0.0,MS1_match,FZPVNGODHKVGGJ-MUSZMPNRSA-N,"InChI=1S/C17H24O8/c1-8(2)5-12(19)24-15-13-16(20)6-11(23-10(4)18)17(13,21)7-22-14(25-15)9(16)3/h8,11,13-15,20-21H,3,5-7H2,1-2,4H3/t11-,13-,14+,15+,16-,17-/m0/s1",C=C1[C@@H]2OC[C@]3(O)[C@@H](OC(C)=O)C[C@@]1(O)[C@@H]3[C@H](OC(=O)CC(C)C)O2,C17H24O8,pos_1_sodium,356.147117728,FZPVNGODHKVGGJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 94700,3686,-1,,,,0.0,MS1_match,PWXSALGBFFRJCR-MNMQIZOCSA-N,"InChI=1S/C17H24O8/c1-8(2)5-12(19)22-7-17-11(23-10(4)18)6-16(21)9(3)15(25-17)24-14(20)13(16)17/h8,11,13-15,20-21H,3,5-7H2,1-2,4H3/t11-,13-,14+,15-,16-,17+/m0/s1",C=C1[C@H]2O[C@@H](O)[C@@H]3[C@](COC(=O)CC(C)C)(O2)[C@@H](OC(C)=O)C[C@]13O,C17H24O8,pos_1_sodium,356.147117728,PWXSALGBFFRJCR,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,0,6.0 94697,3683,-1,,,,0.25957817,ISDB,,,,,,,PIVRTBXMRRPWIP,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.0383126735687256 94443,3682,-1,,,,0.4256188,ISDB,RGHHSNMVTDWUBI-UHFFFAOYSA-N,"InChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H",O=Cc1ccc(O)cc1,C7H6O2,,122.036779432,RGHHSNMVTDWUBI,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,Viburnum dilatatum,205155.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Adoxaceae'],['Unknown'],['Viburnum'],['Viburnum dilatatum'],5,0,6.702475190162659 94417,3679,80,Terpenoids,Tryptophan alkaloids,Carbazole alkaloids,0.23293744,ISDB,FDHFJXKRMIVNCQ-CQBRDPJOSA-N,"InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,58,61H,1,14-25,27H2,2-12H3/b34-26+,44-28?,46-29?,47-30?,52-50?/t32-,33-,37-,41-,51+/m0/s1",C=CC1=C(C)C2=NC1=CC1=NC(=CC3=C(C)C4=C(O)[C@H](C(=O)OC)C(=C5NC(=C2)[C@@H](C)[C@@H]5CCC(=O)OC/C=C(\C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)C4=N3)C(CC)=C1C,C55H74N4O5,,870.565921468,FDHFJXKRMIVNCQ,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Aristolochia mollissima,656355.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Aristolochiaceae'],['Unknown'],['Aristolochia'],['Aristolochia mollissima'],4,1,5.431749761104584 94418,3679,80,Terpenoids,Tryptophan alkaloids,Carbazole alkaloids,0.23293744,ISDB,FDHFJXKRMIVNCQ-CQBRDPJOSA-N,"InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,58,61H,1,14-25,27H2,2-12H3/b34-26+,44-28?,46-29?,47-30?,52-50?/t32-,33-,37-,41-,51+/m0/s1",C=CC1=C(C)C2=NC1=CC1=NC(=CC3=C(C)C4=C(O)[C@H](C(=O)OC)C(=C5NC(=C2)[C@@H](C)[C@@H]5CCC(=O)OC/C=C(\C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)C4=N3)C(CC)=C1C,C55H74N4O5,,870.565921468,FDHFJXKRMIVNCQ,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Camellia sinensis,1058509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Theaceae'],['Unknown'],['Camellia'],['Camellia sinensis'],4,1,5.431749761104584 94419,3679,80,Terpenoids,Tryptophan alkaloids,Carbazole alkaloids,0.23293744,ISDB,FDHFJXKRMIVNCQ-CQBRDPJOSA-N,"InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,58,61H,1,14-25,27H2,2-12H3/b34-26+,44-28?,46-29?,47-30?,52-50?/t32-,33-,37-,41-,51+/m0/s1",C=CC1=C(C)C2=NC1=CC1=NC(=CC3=C(C)C4=C(O)[C@H](C(=O)OC)C(=C5NC(=C2)[C@@H](C)[C@@H]5CCC(=O)OC/C=C(\C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)C4=N3)C(CC)=C1C,C55H74N4O5,,870.565921468,FDHFJXKRMIVNCQ,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Platostoma palustre,285422.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Ocimeae'],['Platostoma'],['Platostoma chinense'],4,1,5.431749761104584 94420,3679,80,Terpenoids,Tryptophan alkaloids,Carbazole alkaloids,0.23293744,ISDB,FDHFJXKRMIVNCQ-CQBRDPJOSA-N,"InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,58,61H,1,14-25,27H2,2-12H3/b34-26+,44-28?,46-29?,47-30?,52-50?/t32-,33-,37-,41-,51+/m0/s1",C=CC1=C(C)C2=NC1=CC1=NC(=CC3=C(C)C4=C(O)[C@H](C(=O)OC)C(=C5NC(=C2)[C@@H](C)[C@@H]5CCC(=O)OC/C=C(\C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)C4=N3)C(CC)=C1C,C55H74N4O5,,870.565921468,FDHFJXKRMIVNCQ,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Spinacia oleracea,317784.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Chenopodiaceae'],['Anserineae'],['Spinacia'],['Spinacia oleracea'],4,1,5.431749761104584 94421,3679,80,Terpenoids,Tryptophan alkaloids,Carbazole alkaloids,0.23293744,ISDB,FDHFJXKRMIVNCQ-RRNMINROSA-N,"InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,58,61H,1,14-25,27H2,2-12H3/b34-26+,44-28?,46-29?,47-30?,52-50?",C=CC1=C(C)C2=NC1=CC1=NC(=CC3=C(C)C4=C(O)C(C(=O)OC)C(=C5NC(=C2)C(C)C5CCC(=O)OC/C=C(\C)CCCC(C)CCCC(C)CCCC(C)C)C4=N3)C(CC)=C1C,C55H74N4O5,,870.565921468,FDHFJXKRMIVNCQ,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Olea europaea,23729.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Oleaceae'],['Oleeae'],['Olea'],['Olea europaea'],4,1,5.431749761104584 94422,3679,80,Terpenoids,Tryptophan alkaloids,Carbazole alkaloids,0.23293744,ISDB,FDHFJXKRMIVNCQ-CQBRDPJOSA-N,"InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,58,61H,1,14-25,27H2,2-12H3/b34-26+,44-28?,46-29?,47-30?,52-50?/t32-,33-,37-,41-,51+/m0/s1",C=CC1=C(C)C2=NC1=CC1=NC(=CC3=C(C)C4=C(O)[C@H](C(=O)OC)C(=C5NC(=C2)[C@@H](C)[C@@H]5CCC(=O)OC/C=C(\C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)C4=N3)C(CC)=C1C,C55H74N4O5,,870.565921468,FDHFJXKRMIVNCQ,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Brassica oleracea,833642.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica oleracea'],4,1,5.431749761104584 94423,3679,80,Terpenoids,Tryptophan alkaloids,Carbazole alkaloids,0.23293744,ISDB,FDHFJXKRMIVNCQ-CQBRDPJOSA-N,"InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,58,61H,1,14-25,27H2,2-12H3/b34-26+,44-28?,46-29?,47-30?,52-50?/t32-,33-,37-,41-,51+/m0/s1",C=CC1=C(C)C2=NC1=CC1=NC(=CC3=C(C)C4=C(O)[C@H](C(=O)OC)C(=C5NC(=C2)[C@@H](C)[C@@H]5CCC(=O)OC/C=C(\C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)C4=N3)C(CC)=C1C,C55H74N4O5,,870.565921468,FDHFJXKRMIVNCQ,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Euchresta formosana,280933.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Euchresta'],['Euchresta formosana'],4,1,5.431749761104584 94424,3679,80,Terpenoids,Tryptophan alkaloids,Carbazole alkaloids,0.23293744,ISDB,FDHFJXKRMIVNCQ-RRNMINROSA-N,"InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,58,61H,1,14-25,27H2,2-12H3/b34-26+,44-28?,46-29?,47-30?,52-50?",C=CC1=C(C)C2=NC1=CC1=NC(=CC3=C(C)C4=C(O)C(C(=O)OC)C(=C5NC(=C2)C(C)C5CCC(=O)OC/C=C(\C)CCCC(C)CCCC(C)CCCC(C)C)C4=N3)C(CC)=C1C,C55H74N4O5,,870.565921468,FDHFJXKRMIVNCQ,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Tapura fischeri,204812.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Dichapetalaceae'],['Unknown'],['Tapura'],['Tapura fischeri'],4,1,5.431749761104584 94425,3679,80,Terpenoids,Tryptophan alkaloids,Carbazole alkaloids,0.23293744,ISDB,FDHFJXKRMIVNCQ-CQBRDPJOSA-N,"InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,58,61H,1,14-25,27H2,2-12H3/b34-26+,44-28?,46-29?,47-30?,52-50?/t32-,33-,37-,41-,51+/m0/s1",C=CC1=C(C)C2=NC1=CC1=NC(=CC3=C(C)C4=C(O)[C@H](C(=O)OC)C(=C5NC(=C2)[C@@H](C)[C@@H]5CCC(=O)OC/C=C(\C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)C4=N3)C(CC)=C1C,C55H74N4O5,,870.565921468,FDHFJXKRMIVNCQ,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Saussurea medusa,474462.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea medusa'],4,1,5.431749761104584 94426,3679,80,Terpenoids,Tryptophan alkaloids,Carbazole alkaloids,0.23293744,ISDB,FDHFJXKRMIVNCQ-OSIZZBRKSA-N,"InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,58,61H,1,14-25,27H2,2-12H3/b34-26+,44-28?,46-29?,47-30?,52-50?/t32-,33-,37+,41+,51-/m1/s1",C=CC1=C(C)C2=NC1=CC1=NC(=CC3=C(C)C4=C(O)[C@H](C(=O)OC)C(=C5NC(=C2)[C@@H](C)[C@@H]5CCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C4=N3)C(CC)=C1C,C55H74N4O5,,870.565921468,FDHFJXKRMIVNCQ,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Alloberberis fremontii,725518.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Berberidaceae'],['Unknown'],['Berberis'],['Berberis fremontii'],4,1,5.431749761104584 94427,3679,80,Terpenoids,Tryptophan alkaloids,Carbazole alkaloids,0.23293744,ISDB,FDHFJXKRMIVNCQ-RRNMINROSA-N,"InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,58,61H,1,14-25,27H2,2-12H3/b34-26+,44-28?,46-29?,47-30?,52-50?",C=CC1=C(C)C2=NC1=CC1=NC(=CC3=C(C)C4=C(O)C(C(=O)OC)C(=C5NC(=C2)C(C)C5CCC(=O)OC/C=C(\C)CCCC(C)CCCC(C)CCCC(C)C)C4=N3)C(CC)=C1C,C55H74N4O5,,870.565921468,FDHFJXKRMIVNCQ,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Ophiorrhiza pumila,608350.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Ophiorrhizeae'],['Ophiorrhiza'],['Ophiorrhiza pumila'],4,1,5.431749761104584 94428,3679,80,Terpenoids,Tryptophan alkaloids,Carbazole alkaloids,0.23293744,ISDB,FDHFJXKRMIVNCQ-CQBRDPJOSA-N,"InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,58,61H,1,14-25,27H2,2-12H3/b34-26+,44-28?,46-29?,47-30?,52-50?/t32-,33-,37-,41-,51+/m0/s1",C=CC1=C(C)C2=NC1=CC1=NC(=CC3=C(C)C4=C(O)[C@H](C(=O)OC)C(=C5NC(=C2)[C@@H](C)[C@@H]5CCC(=O)OC/C=C(\C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)C4=N3)C(CC)=C1C,C55H74N4O5,,870.565921468,FDHFJXKRMIVNCQ,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Berberis trifoliata,5503578.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Berberidaceae'],['Unknown'],['Berberis'],['Berberis trifolia'],4,1,5.431749761104584 94429,3679,80,Terpenoids,Tryptophan alkaloids,Carbazole alkaloids,0.23293744,ISDB,FDHFJXKRMIVNCQ-CQBRDPJOSA-N,"InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,58,61H,1,14-25,27H2,2-12H3/b34-26+,44-28?,46-29?,47-30?,52-50?/t32-,33-,37-,41-,51+/m0/s1",C=CC1=C(C)C2=NC1=CC1=NC(=CC3=C(C)C4=C(O)[C@H](C(=O)OC)C(=C5NC(=C2)[C@@H](C)[C@@H]5CCC(=O)OC/C=C(\C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)C4=N3)C(CC)=C1C,C55H74N4O5,,870.565921468,FDHFJXKRMIVNCQ,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Berberis trifoliolata,840498.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Berberidaceae'],['Unknown'],['Berberis'],['Berberis trifoliolata'],4,1,5.431749761104584 94430,3679,80,Terpenoids,Tryptophan alkaloids,Carbazole alkaloids,0.23293744,ISDB,FDHFJXKRMIVNCQ-CQBRDPJOSA-N,"InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,58,61H,1,14-25,27H2,2-12H3/b34-26+,44-28?,46-29?,47-30?,52-50?/t32-,33-,37-,41-,51+/m0/s1",C=CC1=C(C)C2=NC1=CC1=NC(=CC3=C(C)C4=C(O)[C@H](C(=O)OC)C(=C5NC(=C2)[C@@H](C)[C@@H]5CCC(=O)OC/C=C(\C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)C4=N3)C(CC)=C1C,C55H74N4O5,,870.565921468,FDHFJXKRMIVNCQ,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Phellodendron chinense,710068.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Phellodendron'],['Phellodendron chinense'],4,1,5.431749761104584 94431,3679,80,Terpenoids,Tryptophan alkaloids,Carbazole alkaloids,0.23293744,ISDB,FDHFJXKRMIVNCQ-CQBRDPJOSA-N,"InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,58,61H,1,14-25,27H2,2-12H3/b34-26+,44-28?,46-29?,47-30?,52-50?/t32-,33-,37-,41-,51+/m0/s1",C=CC1=C(C)C2=NC1=CC1=NC(=CC3=C(C)C4=C(O)[C@H](C(=O)OC)C(=C5NC(=C2)[C@@H](C)[C@@H]5CCC(=O)OC/C=C(\C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)C4=N3)C(CC)=C1C,C55H74N4O5,,870.565921468,FDHFJXKRMIVNCQ,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Ajuga taiwanensis,367347.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Ajuga'],['Ajuga taiwanensis'],4,1,5.431749761104584 94432,3679,80,Terpenoids,Tryptophan alkaloids,Carbazole alkaloids,0.23293744,ISDB,FDHFJXKRMIVNCQ-OSIZZBRKSA-N,"InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,58,61H,1,14-25,27H2,2-12H3/b34-26+,44-28?,46-29?,47-30?,52-50?/t32-,33-,37+,41+,51-/m1/s1",C=CC1=C(C)C2=NC1=CC1=NC(=CC3=C(C)C4=C(O)[C@H](C(=O)OC)C(=C5NC(=C2)[C@@H](C)[C@@H]5CCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C4=N3)C(CC)=C1C,C55H74N4O5,,870.565921468,FDHFJXKRMIVNCQ,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Isotrema kaempferi,656366.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Aristolochiaceae'],['Unknown'],['Aristolochia'],['Aristolochia kaempferi'],4,1,5.431749761104584 94433,3679,80,Terpenoids,Tryptophan alkaloids,Carbazole alkaloids,0.23293744,ISDB,FDHFJXKRMIVNCQ-CQBRDPJOSA-N,"InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,58,61H,1,14-25,27H2,2-12H3/b34-26+,44-28?,46-29?,47-30?,52-50?/t32-,33-,37-,41-,51+/m0/s1",C=CC1=C(C)C2=NC1=CC1=NC(=CC3=C(C)C4=C(O)[C@H](C(=O)OC)C(=C5NC(=C2)[C@@H](C)[C@@H]5CCC(=O)OC/C=C(\C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)C4=N3)C(CC)=C1C,C55H74N4O5,,870.565921468,FDHFJXKRMIVNCQ,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Aristolochia kaempferi,656366.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Aristolochiaceae'],['Unknown'],['Aristolochia'],['Aristolochia kaempferi'],4,1,5.431749761104584 94434,3679,80,Terpenoids,Tryptophan alkaloids,Carbazole alkaloids,0.23293744,ISDB,FDHFJXKRMIVNCQ-CQBRDPJOSA-N,"InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,58,61H,1,14-25,27H2,2-12H3/b34-26+,44-28?,46-29?,47-30?,52-50?/t32-,33-,37-,41-,51+/m0/s1",C=CC1=C(C)C2=NC1=CC1=NC(=CC3=C(C)C4=C(O)[C@H](C(=O)OC)C(=C5NC(=C2)[C@@H](C)[C@@H]5CCC(=O)OC/C=C(\C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)C4=N3)C(CC)=C1C,C55H74N4O5,,870.565921468,FDHFJXKRMIVNCQ,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Centaurea malacitana,7613211.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea malacitana'],4,1,5.431749761104584 94435,3679,80,Terpenoids,Tryptophan alkaloids,Carbazole alkaloids,0.23293744,ISDB,FDHFJXKRMIVNCQ-RRNMINROSA-N,"InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,58,61H,1,14-25,27H2,2-12H3/b34-26+,44-28?,46-29?,47-30?,52-50?",C=CC1=C(C)C2=NC1=CC1=NC(=CC3=C(C)C4=C(O)C(C(=O)OC)C(=C5NC(=C2)C(C)C5CCC(=O)OC/C=C(\C)CCCC(C)CCCC(C)CCCC(C)C)C4=N3)C(CC)=C1C,C55H74N4O5,,870.565921468,FDHFJXKRMIVNCQ,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Richardia grandiflora,3872538.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Spermacoceae'],['Richardia'],['Richardia grandiflora'],4,1,5.431749761104584 94436,3679,80,Terpenoids,Tryptophan alkaloids,Carbazole alkaloids,0.23293744,ISDB,FDHFJXKRMIVNCQ-CQBRDPJOSA-N,"InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,58,61H,1,14-25,27H2,2-12H3/b34-26+,44-28?,46-29?,47-30?,52-50?/t32-,33-,37-,41-,51+/m0/s1",C=CC1=C(C)C2=NC1=CC1=NC(=CC3=C(C)C4=C(O)[C@H](C(=O)OC)C(=C5NC(=C2)[C@@H](C)[C@@H]5CCC(=O)OC/C=C(\C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)C4=N3)C(CC)=C1C,C55H74N4O5,,870.565921468,FDHFJXKRMIVNCQ,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Berberis fendleri,854435.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Berberidaceae'],['Unknown'],['Berberis'],['Berberis fendleri'],4,1,5.431749761104584 94437,3679,80,Terpenoids,Tryptophan alkaloids,Carbazole alkaloids,0.23293744,ISDB,FDHFJXKRMIVNCQ-OSIZZBRKSA-N,"InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,58,61H,1,14-25,27H2,2-12H3/b34-26+,44-28?,46-29?,47-30?,52-50?/t32-,33-,37+,41+,51-/m1/s1",C=CC1=C(C)C2=NC1=CC1=NC(=CC3=C(C)C4=C(O)[C@H](C(=O)OC)C(=C5NC(=C2)[C@@H](C)[C@@H]5CCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C4=N3)C(CC)=C1C,C55H74N4O5,,870.565921468,FDHFJXKRMIVNCQ,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Ocimum labiatum,588789.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Ocimeae'],['Ocimum'],['Ocimum labiatum'],4,1,5.431749761104584 94413,3671,-1,,,,0.4105776,ISDB,JNKJMYDDORVXSD-AATRIKPKSA-N,"InChI=1S/C13H15NO5/c1-3-4-5-6-7-9(15)10(16)8-11(19-7)13(2,18)14-12(8)17/h5-6,15,18H,3-4H2,1-2H3,(H,14,17)/b6-5+",CCC/C=C/c1oc2c(c(=O)c1O)C(=O)NC2(C)O,C13H15NO5,,265.09502258,JNKJMYDDORVXSD,Polyketides,,,Aspergillus spinulosus,5310629.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Aspergillus'],['Aspergillus spinulosus'],1,0,2.642310380935669 94329,3668,-1,,,,0.40745735,ISDB,PHOPGVYKZWPIGA-UHFFFAOYSA-N,"InChI=1S/C11H16O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h6-7,12-13H,3-5H2,1-2H3",COc1cc(CCCO)cc(OC)c1O,C11H16O4,,212.104858992,PHOPGVYKZWPIGA,,,,Tinospora smilacina,1051363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Menispermaceae'],['Burasaieae'],['Tinospora'],['Tinospora smilacina'],5,0,6.629829406738281 93605,3667,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.6568275,ISDB,KSEBMYQBYZTDHS-HWKANZROSA-N,"InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+",COc1cc(/C=C/C(=O)O)ccc1O,C10H10O4,,194.0579088,KSEBMYQBYZTDHS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,3,10.127310037612915 93606,3667,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.6568275,ISDB,KSEBMYQBYZTDHS-UHFFFAOYSA-N,"InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)",COc1cc(C=CC(=O)O)ccc1O,C10H10O4,,194.0579088,KSEBMYQBYZTDHS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Valeriana laxiflora,844983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana laxiflora'],6,3,10.127310037612915 93603,3666,62,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,CTAGOEYJISDADM-GBSMAZMDSA-N,"InChI=1S/C45H47NO15/c1-20-28-31(60-41(53)26-15-11-9-12-16-26)29-36-45-34(30(46(36)8)38(57-23(4)50)44(29,37(20)56-22(3)49)35(45)32(28)55-21(2)48)43(7,19-47)39(58-24(5)51)33(40(45)59-25(6)52)61-42(54)27-17-13-10-14-18-27/h9-19,28-40H,1H2,2-8H3/t28-,29?,30+,31+,32+,33-,34+,35?,36?,37-,38+,39-,40+,43-,44-,45-/m0/s1",C=C1[C@H]2[C@@H](OC(=O)c3ccccc3)C3C4N(C)[C@H]5[C@@H](OC(C)=O)[C@@]3(C([C@@H]2OC(C)=O)[C@]42[C@H](OC(C)=O)[C@@H](OC(=O)c3ccccc3)[C@H](OC(C)=O)[C@@](C)(C=O)[C@@H]52)[C@H]1OC(C)=O,C45H47NO15,pos_2_2proton1acetonitrile,841.294569804,CTAGOEYJISDADM,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium majus,6131723.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium majus'],6,0,6.0 93601,3664,-1,,,,0.35925072,ISDB,TXHIPUZLOILIIU-UHFFFAOYSA-N,"InChI=1S/C18H29NO5/c1-3-12(2)17(18(23)24)19-16(22)11-13-8-9-15(21)14(13)7-5-4-6-10-20/h4-5,12-14,17,20H,3,6-11H2,1-2H3,(H,19,22)(H,23,24)",CCC(C)C(NC(=O)CC1CCC(=O)C1CC=CCCO)C(=O)O,C18H29NO5,,339.204573028,TXHIPUZLOILIIU,,,,Vicia faba,539544.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Fabeae'],['Vicia'],['Vicia faba'],4,0,5.437002897262573 93600,3662,75,Terpenoids,Diterpenoids,Polyprenol derivatives,0.20188478,ISDB,,,,,,,ZRNXNRWWCKQFOL,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.8075391054153442 93481,3661,242,Fatty acids,Sesquiterpenoids,Furans,0.64975935,ISDB,STIYXYABWPDGCS-PRLTYNAASA-N,"InChI=1S/C16H24O2/c1-9-5-6-13(17)16(4)8-7-12-10(2)11(3)18-15(12)14(9)16/h5,10,12-15,17H,3,6-8H2,1-2,4H3/t10-,12+,13-,14-,15+,16+/m1/s1",C=C1O[C@H]2[C@@H](CC[C@@]3(C)[C@H](O)CC=C(C)[C@H]23)[C@@H]1C,C16H24O2,,248.177630008,STIYXYABWPDGCS,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Artemisia inculta,969157.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia inculta'],4,2,7.599037408828735 93472,3660,-1,,,,0.0,MS1_match,SQMQSLVVHZAFKJ-ZJULUKIISA-N,"InChI=1S/C52H84O20/c1-23-32(55)40(71-42-37(60)35(58)28(22-66-42)69-43-38(61)36(59)34(57)27(20-53)68-43)39(62)44(67-23)72-41-33(56)26(54)21-65-45(41)70-31-12-13-49(6)29(48(31,4)5)11-14-51(8)30(49)10-9-24-25-19-47(2,3)15-17-52(25,46(63)64)18-16-50(24,51)7/h9,23,25-45,53-62H,10-22H2,1-8H3,(H,63,64)/t23-,25+,26-,27+,28+,29-,30+,31-,32-,33-,34+,35+,36-,37+,38+,39+,40+,41+,42-,43-,44-,45-,49-,50+,51+,52-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@]4(C)[C@H]5CC=C6[C@H]7CC(C)(C)CC[C@]7(C(=O)O)CC[C@@]6(C)[C@]5(C)CC[C@H]4C3(C)C)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O[C@@H]2OC[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)[C@H]1O,C52H84O20,pos_2_2sodium,1028.555595088,SQMQSLVVHZAFKJ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis chinensis,841986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis chinensis'],8,0,8.0 93473,3660,-1,,,,0.0,MS1_match,JJSJZGSCSPQRQH-MOTOBBMOSA-N,"InChI=1S/C52H84O20/c1-23-32(56)40(70-42-37(61)33(57)26(54)21-65-42)39(63)44(67-23)71-41-34(58)27(55)22-66-45(41)69-31-12-13-49(6)29(48(31,4)5)11-14-51(8)30(49)10-9-24-25-19-47(2,3)15-17-52(25,18-16-50(24,51)7)46(64)72-43-38(62)36(60)35(59)28(20-53)68-43/h9,23,25-45,53-63H,10-22H2,1-8H3/t23-,25-,26+,27-,28+,29-,30+,31-,32-,33+,34-,35+,36-,37+,38+,39+,40+,41+,42-,43-,44-,45-,49-,50+,51+,52-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@]4(C)[C@H]5CC=C6[C@@H]7CC(C)(C)CC[C@]7(C(=O)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)CC[C@@]6(C)[C@]5(C)CC[C@H]4C3(C)C)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O[C@@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)[C@H]1O,C52H84O20,pos_2_2sodium,1028.555595088,JJSJZGSCSPQRQH,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis chinensis,841986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis chinensis'],8,0,8.0 93474,3660,-1,,,,0.0,MS1_match,JJSJZGSCSPQRQH-MOTOBBMOSA-N,"InChI=1S/C52H84O20/c1-23-32(56)40(70-42-37(61)33(57)26(54)21-65-42)39(63)44(67-23)71-41-34(58)27(55)22-66-45(41)69-31-12-13-49(6)29(48(31,4)5)11-14-51(8)30(49)10-9-24-25-19-47(2,3)15-17-52(25,18-16-50(24,51)7)46(64)72-43-38(62)36(60)35(59)28(20-53)68-43/h9,23,25-45,53-63H,10-22H2,1-8H3/t23-,25-,26+,27-,28+,29-,30+,31-,32-,33+,34-,35+,36-,37+,38+,39+,40+,41+,42-,43-,44-,45-,49-,50+,51+,52-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@]4(C)[C@H]5CC=C6[C@@H]7CC(C)(C)CC[C@]7(C(=O)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)CC[C@@]6(C)[C@]5(C)CC[C@H]4C3(C)C)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O[C@@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)[C@H]1O,C52H84O20,pos_2_2sodium,1028.555595088,JJSJZGSCSPQRQH,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis vitalba,756499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis vitalba'],8,0,8.0 93394,3659,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.61362255,ISDB,LQUHZVLTTWMBTO-UHFFFAOYSA-N,"InChI=1S/C18H34O3/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(20)21/h1-2,19H,3-17H2,(H,20,21)",O=C(O)CCCCCCCC=CCCCCCCCCO,C18H34O3,,298.250794948,LQUHZVLTTWMBTO,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],4,2,7.4544901847839355 93389,3658,628,,,,0.27908534,ISDB,,,,,,,LDPJFEPYYCUUOO,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.1163413524627686 93385,3653,-1,,,,0.0,MS1_match,XYCPAFFKEUHURW-UHFFFAOYSA-N,"InChI=1S/C36H36N2O6/c1-38-14-12-24-19-33(41-3)35(42-4)36-34(24)28(38)16-22-7-10-29(39)30(17-22)43-25-8-5-21(6-9-25)15-27-26-20-31(40-2)32(44-36)18-23(26)11-13-37-27/h5-10,17-20,28,39H,11-16H2,1-4H3",COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1C(Cc1ccc(O)c(c1)Oc1ccc(cc1)CC2=NCC3)N(C)CC4,C36H36N2O6,pos_1_1proton2acetonitrile,592.257336872,XYCPAFFKEUHURW,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Thalictrum minus,491705.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum minus'],6,0,6.0 93386,3653,-1,,,,0.0,MS1_match,JFSKADBFGYJFML-NDEPHWFRSA-N,"InChI=1S/C36H36N2O6/c1-38-14-12-24-19-33(42-4)35(39)36-34(24)28(38)16-22-7-10-29(40-2)31(17-22)43-25-8-5-21(6-9-25)15-27-26-20-30(41-3)32(44-36)18-23(26)11-13-37-27/h5-10,17-20,28,39H,11-16H2,1-4H3/t28-/m0/s1",COc1ccc2cc1Oc1ccc(cc1)CC1=NCCc3cc(c(OC)cc31)Oc1c(O)c(OC)cc3c1[C@H](C2)N(C)CC3,C36H36N2O6,pos_1_1proton2acetonitrile,592.257336872,JFSKADBFGYJFML,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Thalictrum minus,491705.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum minus'],6,0,6.0 93387,3653,-1,,,,0.0,MS1_match,JFSKADBFGYJFML-NDEPHWFRSA-N,"InChI=1S/C36H36N2O6/c1-38-14-12-24-19-33(42-4)35(39)36-34(24)28(38)16-22-7-10-29(40-2)31(17-22)43-25-8-5-21(6-9-25)15-27-26-20-30(41-3)32(44-36)18-23(26)11-13-37-27/h5-10,17-20,28,39H,11-16H2,1-4H3/t28-/m0/s1",COc1ccc2cc1Oc1ccc(cc1)CC1=NCCc3cc(c(OC)cc31)Oc1c(O)c(OC)cc3c1[C@H](C2)N(C)CC3,C36H36N2O6,pos_1_1proton2acetonitrile,592.257336872,JFSKADBFGYJFML,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Thalictrum cultratum,583170.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum cultratum'],6,0,6.0 93388,3653,-1,,,,0.0,MS1_match,ZORTVIOXAICGQZ-LJAQVGFWSA-N,"InChI=1S/C36H36N2O6/c1-38-14-12-23-18-32(40-2)33-19-26(23)29(38)16-22-7-10-30(39)31(17-22)43-24-8-5-21(6-9-24)15-28-27-20-34(41-3)36(42-4)35(44-33)25(27)11-13-37-28/h5-10,17-20,29,39H,11-16H2,1-4H3/t29-/m0/s1",COc1cc2c3cc1Oc1c4c(cc(OC)c1OC)C(=NCC4)Cc1ccc(cc1)Oc1cc(ccc1O)C[C@@H]3N(C)CC2,C36H36N2O6,pos_1_1proton2acetonitrile,592.257336872,ZORTVIOXAICGQZ,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Thalictrum cultratum,583170.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum cultratum'],6,0,6.0 93302,3648,1267,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.4419729,ISDB,DKGYTSKPMLWLEI-FIZOKRMRSA-N,"InChI=1S/C10H14O4/c1-5-2-3-6-7(9(11)12)4-14-10(13)8(5)6/h4-6,8,10,13H,2-3H2,1H3,(H,11,12)/t5-,6+,8+,10+/m0/s1",C[C@H]1CC[C@@H]2C(C(=O)O)=CO[C@@H](O)[C@@H]21,C10H14O4,,198.089208928,DKGYTSKPMLWLEI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,10.267891645431519 93261,3647,211,Terpenoids,Phenylpropanoids (C6-C3),Aristolane sesquiterpenoids,0.0,MS1_match,CPYDMLXRLHYXSV-UNKAVFLYSA-N,"InChI=1S/C18H22O9/c1-25-13-7-10(3-5-11(13)19)4-6-15(21)27-14-9-18(24,17(23)26-2)8-12(20)16(14)22/h3-7,12,14,16,19-20,22,24H,8-9H2,1-2H3/b6-4+/t12-,14-,16-,18+/m0/s1",COC(=O)[C@]1(O)C[C@H](OC(=O)/C=C/c2ccc(O)c(OC)c2)[C@@H](O)[C@@H](O)C1,C18H22O9,pos_1_1proton1ammonium,382.126382284,CPYDMLXRLHYXSV,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera bournei,5746380.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera bournei'],7,2,8.0 93262,3647,211,Terpenoids,Phenylpropanoids (C6-C3),Aristolane sesquiterpenoids,0.0,MS1_match,HPJJCRNQEWRFQW-ILXVDBEPSA-N,"InChI=1S/C18H22O9/c1-2-26-17(24)18(25)8-13(21)16(14(22)9-18)27-15(23)6-4-10-3-5-11(19)12(20)7-10/h3-7,13-14,16,19-22,25H,2,8-9H2,1H3/t13-,14-,16-,18+/m0/s1",CCOC(=O)[C@]1(O)C[C@H](O)[C@@H](OC(=O)C=Cc2ccc(O)c(O)c2)[C@@H](O)C1,C18H22O9,pos_1_1proton1ammonium,382.126382284,HPJJCRNQEWRFQW,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera bournei,5746380.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera bournei'],7,2,8.0 93267,3647,211,Terpenoids,Phenylpropanoids (C6-C3),Aristolane sesquiterpenoids,0.0,MS1_match,LEUHYTKFUDEERH-NBJMIBJLSA-N,"InChI=1S/C18H22O9/c1-2-26-17(24)18(25)8-13(21)16(23)14(9-18)27-15(22)6-4-10-3-5-11(19)12(20)7-10/h3-7,13-14,16,19-21,23,25H,2,8-9H2,1H3/b6-4+/t13-,14-,16-,18+/m0/s1",CCOC(=O)[C@]1(O)C[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](O)[C@@H](O)C1,C18H22O9,pos_1_1proton1ammonium,382.126382284,LEUHYTKFUDEERH,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera bournei,5746380.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera bournei'],7,2,8.0 93271,3647,211,Terpenoids,Phenylpropanoids (C6-C3),Aristolane sesquiterpenoids,0.0,MS1_match,LEUHYTKFUDEERH-NBJMIBJLSA-N,"InChI=1S/C18H22O9/c1-2-26-17(24)18(25)8-13(21)16(23)14(9-18)27-15(22)6-4-10-3-5-11(19)12(20)7-10/h3-7,13-14,16,19-21,23,25H,2,8-9H2,1H3/b6-4+/t13-,14-,16-,18+/m0/s1",CCOC(=O)[C@]1(O)C[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](O)[C@@H](O)C1,C18H22O9,pos_1_1proton1ammonium,382.126382284,LEUHYTKFUDEERH,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera bournei,5746380.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera bournei'],7,2,8.0 93213,3646,222,Terpenoids,Sesquiterpenoids,Other Octadecanoids,0.41636246,ISDB,WTLVYAWQAPUBFY-UTLPMFLDSA-N,"InChI=1S/C18H28O4/c1-2-3-4-6-11-16(19)13-9-10-14-17(20)12-7-5-8-15-18(21)22/h9-10,13-14H,2-8,11-12,15H2,1H3,(H,21,22)/b13-9+,14-10+",CCCCCCC(=O)/C=C/C=C/C(=O)CCCCCC(=O)O,C18H28O4,,308.198759376,WTLVYAWQAPUBFY,Fatty acids,Octadecanoids,Other Octadecanoids,Ostodes paniculata,1028448.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Codiaeae'],['Ostodes'],['Ostodes paniculata'],4,3,7.165449857711792 93211,3645,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NRNLHCNVJHJROX-SKXWEYSTSA-N,"InChI=1S/C30H34O17/c31-11-19-23(37)25(39)28(42)30(45-19)47-22(36)8-4-14-2-6-18(17(34)10-14)44-29-27(41)26(40)24(38)20(46-29)12-43-21(35)7-3-13-1-5-15(32)16(33)9-13/h1-10,19-20,23-34,37-42H,11-12H2/b7-3+,8-4+/t19-,20-,23-,24-,25+,26+,27-,28-,29-,30+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](Oc2ccc(/C=C/C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2O)[C@H](O)[C@@H](O)[C@@H]1O,C30H34O17,pos_1_1proton1ammonium,666.1795996280001,NRNLHCNVJHJROX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis tashiroi,21287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tashiroi'],8,3,9.5 93212,3645,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QZBUECAZYHVZBH-SKXWEYSTSA-N,"InChI=1S/C30H34O17/c31-11-19-23(37)25(39)28(42)30(45-19)47-22(36)8-4-14-2-6-16(33)18(10-14)44-29-27(41)26(40)24(38)20(46-29)12-43-21(35)7-3-13-1-5-15(32)17(34)9-13/h1-10,19-20,23-34,37-42H,11-12H2/b7-3+,8-4+/t19-,20-,23-,24-,25+,26+,27-,28-,29-,30+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](Oc2cc(/C=C/C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2O)[C@H](O)[C@@H](O)[C@@H]1O,C30H34O17,pos_1_1proton1ammonium,666.1795996280001,QZBUECAZYHVZBH,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis tashiroi,21287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tashiroi'],8,3,9.5 92937,3638,-1,,,,0.3547495,ISDB,JNNGEAWILNVFFD-CDJYTOATSA-N,"InChI=1S/C16H24O10/c1-5-8(18)2-6-7(14(22)23)4-24-15(10(5)6)26-16-13(21)12(20)11(19)9(3-17)25-16/h4-6,8-13,15-21H,2-3H2,1H3,(H,22,23)/t5-,6+,8-,9+,10+,11+,12-,13+,15-,16-/m0/s1",C[C@@H]1[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)O)[C@H]2C[C@@H]1O,C16H24O10,,376.1369469679999,JNNGEAWILNVFFD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera periclymenum,811893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera periclymenum'],7,0,8.418998003005981 92938,3638,-1,,,,0.3547495,ISDB,JNNGEAWILNVFFD-CDJYTOATSA-N,"InChI=1S/C16H24O10/c1-5-8(18)2-6-7(14(22)23)4-24-15(10(5)6)26-16-13(21)12(20)11(19)9(3-17)25-16/h4-6,8-13,15-21H,2-3H2,1H3,(H,22,23)/t5-,6+,8-,9+,10+,11+,12-,13+,15-,16-/m0/s1",C[C@@H]1[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)O)[C@H]2C[C@@H]1O,C16H24O10,,376.1369469679999,JNNGEAWILNVFFD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,8.418998003005981 92939,3638,-1,,,,0.3547495,ISDB,JNNGEAWILNVFFD-CDJYTOATSA-N,"InChI=1S/C16H24O10/c1-5-8(18)2-6-7(14(22)23)4-24-15(10(5)6)26-16-13(21)12(20)11(19)9(3-17)25-16/h4-6,8-13,15-21H,2-3H2,1H3,(H,22,23)/t5-,6+,8-,9+,10+,11+,12-,13+,15-,16-/m0/s1",C[C@@H]1[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)O)[C@H]2C[C@@H]1O,C16H24O10,,376.1369469679999,JNNGEAWILNVFFD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],7,0,8.418998003005981 92923,3637,1000,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,HEYZWPRKKUGDCR-QBXMEVCASA-N,"InChI=1S/C16H22O10/c1-2-7-14(24-6-8-13(21)23-4-3-16(7,8)22)26-15-12(20)11(19)10(18)9(5-17)25-15/h2,6-7,9-12,14-15,17-20,22H,1,3-5H2/t7-,9+,10+,11-,12+,14-,15-,16+/m0/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCC[C@]21O,C16H22O10,pos_1_1proton1acetonitrile,374.1212969039999,HEYZWPRKKUGDCR,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 92924,3637,1000,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,HEYZWPRKKUGDCR-QBXMEVCASA-N,"InChI=1S/C16H22O10/c1-2-7-14(24-6-8-13(21)23-4-3-16(7,8)22)26-15-12(20)11(19)10(18)9(5-17)25-15/h2,6-7,9-12,14-15,17-20,22H,1,3-5H2/t7-,9+,10+,11-,12+,14-,15-,16+/m0/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCC[C@]21O,C16H22O10,pos_1_1proton1acetonitrile,374.1212969039999,HEYZWPRKKUGDCR,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 92925,3637,1000,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,PUEUIRDVQIKCCG-GMHYLCIRSA-N,"InChI=1S/C16H22O10/c1-2-7-8(3-4-17)9(14(22)23)6-24-15(7)26-16-13(21)12(20)11(19)10(5-18)25-16/h2,4,6-8,10-13,15-16,18-21H,1,3,5H2,(H,22,23)/t7?,8?,10-,11-,12+,13-,15+,16+/m1/s1",C=CC1C(CC=O)C(C(=O)O)=CO[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H22O10,pos_1_1proton1acetonitrile,374.1212969039999,PUEUIRDVQIKCCG,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 92926,3637,1000,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,PUEUIRDVQIKCCG-UHFFFAOYSA-N,"InChI=1S/C16H22O10/c1-2-7-8(3-4-17)9(14(22)23)6-24-15(7)26-16-13(21)12(20)11(19)10(5-18)25-16/h2,4,6-8,10-13,15-16,18-21H,1,3,5H2,(H,22,23)",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)O)C1CC=O,C16H22O10,pos_1_1proton1acetonitrile,374.1212969039999,PUEUIRDVQIKCCG,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],7,3,8.5 92927,3637,1000,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,PUEUIRDVQIKCCG-GMHYLCIRSA-N,"InChI=1S/C16H22O10/c1-2-7-8(3-4-17)9(14(22)23)6-24-15(7)26-16-13(21)12(20)11(19)10(5-18)25-16/h2,4,6-8,10-13,15-16,18-21H,1,3,5H2,(H,22,23)/t7?,8?,10-,11-,12+,13-,15+,16+/m1/s1",C=CC1C(CC=O)C(C(=O)O)=CO[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H22O10,pos_1_1proton1acetonitrile,374.1212969039999,PUEUIRDVQIKCCG,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 92928,3637,1000,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,PUEUIRDVQIKCCG-UHFFFAOYSA-N,"InChI=1S/C16H22O10/c1-2-7-8(3-4-17)9(14(22)23)6-24-15(7)26-16-13(21)12(20)11(19)10(5-18)25-16/h2,4,6-8,10-13,15-16,18-21H,1,3,5H2,(H,22,23)",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)O)C1CC=O,C16H22O10,pos_1_1proton1acetonitrile,374.1212969039999,PUEUIRDVQIKCCG,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],7,3,8.5 92918,3636,80,Terpenoids,Tryptophan alkaloids,Carbazole alkaloids,0.5921212,ISDB,DOFYAVLOCYRMIV-ULTRRKBWSA-N,"InChI=1S/C36H38N4O6/c1-9-20-16(3)23-13-25-18(5)22(11-12-29(41)45-7)32(39-25)31-33-30(34(42)36(31,44)35(43)46-8)19(6)26(40-33)15-28-21(10-2)17(4)24(38-28)14-27(20)37-23/h9,13-15,18,22,37,40,44H,1,10-12H2,2-8H3/t18-,22-,36-/m0/s1",C=Cc1c(C)c2cc3nc(c4c5[nH]c(cc6nc(cc1[nH]2)C(C)=C6CC)c(C)c5C(=O)[C@]4(O)C(=O)OC)[C@@H](CCC(=O)OC)[C@@H]3C,C36H38N4O6,,622.2791349360001,DOFYAVLOCYRMIV,Alkaloids,Tryptophan alkaloids,Carbazole alkaloids,Clerodendrum calamitosum,6086132.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Clerodendrum'],['Clerodendrum calamitosum'],4,3,7.868484735488892 92911,3630,-1,,,,0.0,MS1_match,SXGSYHDLSPXCMU-UHFFFAOYSA-N,"InChI=1S/C26H34O12/c1-34-18-8-14(4-5-16(18)29)24-15(10-27)26(33,12-36-24)9-13-3-6-17(19(7-13)35-2)37-25-23(32)22(31)21(30)20(11-28)38-25/h3-8,15,20-25,27-33H,9-12H2,1-2H3",COc1cc(C2OCC(O)(Cc3ccc(OC4OC(CO)C(O)C(O)C4O)c(OC)c3)C2CO)ccc1O,C26H34O12,pos_1_sodium,538.205026528,SXGSYHDLSPXCMU,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 92912,3630,-1,,,,0.0,MS1_match,SXGSYHDLSPXCMU-UHFFFAOYSA-N,"InChI=1S/C26H34O12/c1-34-18-8-14(4-5-16(18)29)24-15(10-27)26(33,12-36-24)9-13-3-6-17(19(7-13)35-2)37-25-23(32)22(31)21(30)20(11-28)38-25/h3-8,15,20-25,27-33H,9-12H2,1-2H3",COc1cc(C2OCC(O)(Cc3ccc(OC4OC(CO)C(O)C(O)C4O)c(OC)c3)C2CO)ccc1O,C26H34O12,pos_1_sodium,538.205026528,SXGSYHDLSPXCMU,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 92913,3630,-1,,,,0.0,MS1_match,QNDLGCSMZUBKMI-ASTYLPHCSA-N,"InChI=1S/C26H34O12/c1-14(27)32-11-17-12-33-23(36-21(31)10-25(6,7)38-16(3)29)22-18(17)8-19(26(22)13-34-26)35-20(30)9-24(4,5)37-15(2)28/h8,12,19,22-23H,9-11,13H2,1-7H3/t19-,22+,23-,26+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)(C)OC(C)=O)[C@H]2C1=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1,C26H34O12,pos_1_sodium,538.205026528,QNDLGCSMZUBKMI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana pulvinata,7625148.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana pulvinata'],6,0,6.0 92914,3630,-1,,,,0.0,MS1_match,WDTFNYPORMFVPG-UHFFFAOYSA-N,"InChI=1S/C26H34O12/c1-35-17-5-12(3-4-16(17)30)21-14-7-19(37-25-24(33)23(32)22(31)20(10-28)38-25)18(36-2)6-13(14)8-26(34,11-29)15(21)9-27/h3-7,15,20-25,27-34H,8-11H2,1-2H3",COc1cc(C2c3cc(OC4OC(CO)C(O)C(O)C4O)c(OC)cc3CC(O)(CO)C2CO)ccc1O,C26H34O12,pos_1_sodium,538.205026528,WDTFNYPORMFVPG,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 92915,3630,-1,,,,0.0,MS1_match,WDTFNYPORMFVPG-UHFFFAOYSA-N,"InChI=1S/C26H34O12/c1-35-17-5-12(3-4-16(17)30)21-14-7-19(37-25-24(33)23(32)22(31)20(10-28)38-25)18(36-2)6-13(14)8-26(34,11-29)15(21)9-27/h3-7,15,20-25,27-34H,8-11H2,1-2H3",COc1cc(C2c3cc(OC4OC(CO)C(O)C(O)C4O)c(OC)cc3CC(O)(CO)C2CO)ccc1O,C26H34O12,pos_1_sodium,538.205026528,WDTFNYPORMFVPG,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 92916,3630,-1,,,,0.0,MS1_match,LDDSFQCOUIDFIZ-UHFFFAOYSA-N,"InChI=1S/C26H34O12/c1-34-18-8-13(3-5-16(18)29)25-14(9-27)15(11-36-25)21(30)12-4-6-17(19(7-12)35-2)37-26-24(33)23(32)22(31)20(10-28)38-26/h3-8,14-15,20-33H,9-11H2,1-2H3",COc1cc(C2OCC(C(O)c3ccc(OC4OC(CO)C(O)C(O)C4O)c(OC)c3)C2CO)ccc1O,C26H34O12,pos_1_sodium,538.205026528,LDDSFQCOUIDFIZ,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 92917,3630,-1,,,,0.0,MS1_match,LDDSFQCOUIDFIZ-UHFFFAOYSA-N,"InChI=1S/C26H34O12/c1-34-18-8-13(3-5-16(18)29)25-14(9-27)15(11-36-25)21(30)12-4-6-17(19(7-12)35-2)37-26-24(33)23(32)22(31)20(10-28)38-26/h3-8,14-15,20-33H,9-11H2,1-2H3",COc1cc(C2OCC(C(O)c3ccc(OC4OC(CO)C(O)C(O)C4O)c(OC)c3)C2CO)ccc1O,C26H34O12,pos_1_sodium,538.205026528,LDDSFQCOUIDFIZ,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 92907,3629,-1,,,,0.0,MS1_match,YDDGKXBLOXEEMN-XAKUNQSDSA-N,"InChI=1S/C22H18O12/c23-13-5-1-11(9-15(13)25)3-7-17(27)33-19(21(29)30)20(22(31)32)34-18(28)8-4-12-2-6-14(24)16(26)10-12/h1-10,19-20,23-26H,(H,29,30)(H,31,32)/b7-3+,8-4+/t19-,20+",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](C(=O)O)[C@@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)O,C22H18O12,pos_1_1proton1acetonitrile,474.0798260159999,YDDGKXBLOXEEMN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Pulsatilla cernua,542352.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Pulsatilla'],['Pulsatilla cernua'],7,0,7.0 92908,3629,-1,,,,0.0,MS1_match,YDDGKXBLOXEEMN-XAKUNQSDSA-N,"InChI=1S/C22H18O12/c23-13-5-1-11(9-15(13)25)3-7-17(27)33-19(21(29)30)20(22(31)32)34-18(28)8-4-12-2-6-14(24)16(26)10-12/h1-10,19-20,23-26H,(H,29,30)(H,31,32)/b7-3+,8-4+/t19-,20+",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](C(=O)O)[C@@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)O,C22H18O12,pos_1_1proton1acetonitrile,474.0798260159999,YDDGKXBLOXEEMN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Pulsatilla cernua,542352.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Pulsatilla'],['Pulsatilla cernua'],7,0,7.0 92905,3624,-1,,,,0.0,MS1_match,IXJHFORJGDOBHK-IFNLGUEUSA-N,"InChI=1S/C26H28O12/c1-3-10(2)26(35)38-25-22(34)21(33)18(9-27)37-24(25)20-15(31)7-14(30)19-16(32)8-17(36-23(19)20)11-4-5-12(28)13(29)6-11/h4-8,10,18,21-22,24-25,27-31,33-34H,3,9H2,1-2H3/t10-,18-,21-,22+,24+,25-/m1/s1",CC[C@@H](C)C(=O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1c1c(O)cc(O)c2c(=O)cc(-c3ccc(O)c(O)c3)oc12,C26H28O12,pos_1_1proton1ammonium,532.158076336,IXJHFORJGDOBHK,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Trollius ledebourii,841872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Adonideae'],['Trollius'],['Trollius ledebouri'],6,0,6.0 92906,3624,-1,,,,0.0,MS1_match,IXJHFORJGDOBHK-IFNLGUEUSA-N,"InChI=1S/C26H28O12/c1-3-10(2)26(35)38-25-22(34)21(33)18(9-27)37-24(25)20-15(31)7-14(30)19-16(32)8-17(36-23(19)20)11-4-5-12(28)13(29)6-11/h4-8,10,18,21-22,24-25,27-31,33-34H,3,9H2,1-2H3/t10-,18-,21-,22+,24+,25-/m1/s1",CC[C@@H](C)C(=O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1c1c(O)cc(O)c2c(=O)cc(-c3ccc(O)c(O)c3)oc12,C26H28O12,pos_1_1proton1ammonium,532.158076336,IXJHFORJGDOBHK,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Trollius ledebouri,841872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Adonideae'],['Trollius'],['Trollius ledebouri'],6,0,6.0 92902,3617,211,Terpenoids,Phenylpropanoids (C6-C3),Aristolane sesquiterpenoids,0.0,MS1_match,XZAYEEVUSBQRBO-UHFFFAOYSA-N,"InChI=1S/C22H25NO5/c1-23-8-7-13-18-15(23)9-12-10-16(24-2)17(25-3)11-14(12)19(18)21(27-5)22(28-6)20(13)26-4/h9-11H,7-8H2,1-6H3",COc1cc2cc3c4c(c(OC)c(OC)c(OC)c4c2cc1OC)CCN3C,C22H25NO5,pos_1_1proton1ethylamine,383.1732729,XZAYEEVUSBQRBO,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Thalictrum ichangense,98297.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum ichangense'],6,0,6.0 92903,3617,211,Terpenoids,Phenylpropanoids (C6-C3),Aristolane sesquiterpenoids,0.0,MS1_match,KROIVFRORWNBDK-UHFFFAOYSA-N,"InChI=1S/C22H25NO5/c1-23(2)9-8-15-14-7-6-13-10-17-18(28-12-27-17)11-16(13)19(14)21(25-4)22(26-5)20(15)24-3/h6-7,10-11H,8-9,12H2,1-5H3",COc1c(OC)c(OC)c2c(ccc3cc4c(cc32)OCO4)c1CCN(C)C,C22H25NO5,pos_1_1proton1ethylamine,383.1732729,KROIVFRORWNBDK,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Thalictrum simplex,243507.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum simplex'],6,0,6.0 92904,3617,211,Terpenoids,Phenylpropanoids (C6-C3),Aristolane sesquiterpenoids,0.0,MS1_match,KROIVFRORWNBDK-UHFFFAOYSA-N,"InChI=1S/C22H25NO5/c1-23(2)9-8-15-14-7-6-13-10-17-18(28-12-27-17)11-16(13)19(14)21(25-4)22(26-5)20(15)24-3/h6-7,10-11H,8-9,12H2,1-5H3",COc1c(OC)c(OC)c2c(ccc3cc4c(cc32)OCO4)c1CCN(C)C,C22H25NO5,pos_1_1proton1ethylamine,383.1732729,KROIVFRORWNBDK,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Thalictrum hazaricum,6133316.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum hazaricum'],6,0,6.0 92901,3615,637,Terpenoids,Monoterpenoids,Flavonols,0.27859196,ISDB,,,,,,,KUYOOBCAZIUXQE,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.1143678426742554 92899,3613,-1,,,,0.21340658,ISDB,GWXJMPVVJCHQIB-NSQTZXJSSA-N,"InChI=1S/C26H33NO12/c1-34-17-10-13(4-6-15(17)29)5-7-20(30)39-25-23(33)22(32)19(12-28)38-26(25)37-16-11-18(35-2)24(36-3)21(31)14(16)8-9-27/h4-8,10,16,18-19,21-26,28-29,31-33H,11-12H2,1-3H3/b7-5-,14-8+/t16-,18+,19-,21+,22-,23+,24+,25-,26-/m1/s1",COc1cc(/C=C\C(=O)O[C@H]2[C@H](O[C@@H]3C[C@H](OC)[C@H](OC)[C@@H](O)/C3=C/C#N)O[C@H](CO)[C@@H](O)[C@@H]2O)ccc1O,C26H33NO12,,551.200275496,GWXJMPVVJCHQIB,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Simmondsia chinensis,864011.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Simmondsiaceae'],['Unknown'],['Simmondsia'],['Simmondsia chinensis'],4,0,4.853626310825348 92900,3613,-1,,,,0.21340658,ISDB,GWXJMPVVJCHQIB-WSVSSVRQSA-N,"InChI=1S/C26H33NO12/c1-34-17-10-13(4-6-15(17)29)5-7-20(30)39-25-23(33)22(32)19(12-28)38-26(25)37-16-11-18(35-2)24(36-3)21(31)14(16)8-9-27/h4-8,10,16,18-19,21-26,28-29,31-33H,11-12H2,1-3H3/b7-5+,14-8-/t16-,18+,19-,21+,22-,23+,24+,25-,26-/m1/s1",COc1cc(/C=C/C(=O)O[C@H]2[C@H](O[C@@H]3C[C@H](OC)[C@H](OC)[C@@H](O)/C3=C\C#N)O[C@H](CO)[C@@H](O)[C@@H]2O)ccc1O,C26H33NO12,,551.200275496,GWXJMPVVJCHQIB,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Simmondsia californica,864011.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Simmondsiaceae'],['Unknown'],['Simmondsia'],['Simmondsia chinensis'],4,0,4.853626310825348 92897,3612,-1,,,,0.0,MS1_match,PUETUDUXMCLALY-UHFFFAOYSA-N,"InChI=1S/C20H26O6/c1-25-19-9-13(3-5-17(19)23)7-15(11-21)16(12-22)8-14-4-6-18(24)20(10-14)26-2/h3-6,9-10,15-16,21-24H,7-8,11-12H2,1-2H3",COc1cc(CC(CO)C(CO)Cc2ccc(O)c(OC)c2)ccc1O,C20H26O6,pos_1_1potassium,362.172938552,PUETUDUXMCLALY,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutane lignans,Clematis delavayi,72769.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis delavayi'],8,0,8.0 92898,3612,-1,,,,0.0,MS1_match,PUETUDUXMCLALY-UHFFFAOYSA-N,"InChI=1S/C20H26O6/c1-25-19-9-13(3-5-17(19)23)7-15(11-21)16(12-22)8-14-4-6-18(24)20(10-14)26-2/h3-6,9-10,15-16,21-24H,7-8,11-12H2,1-2H3",COc1cc(CC(CO)C(CO)Cc2ccc(O)c(OC)c2)ccc1O,C20H26O6,pos_1_1potassium,362.172938552,PUETUDUXMCLALY,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutane lignans,Clematis delavayi,72769.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis delavayi'],8,0,8.0 92683,3609,1461,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.3014329,ISDB,PSQYTAPXSHCGMF-BQYQJAHWSA-N,"InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7+",CC(=O)/C=C/C1=C(C)CCCC1(C)C,C13H20O,,192.15141526,PSQYTAPXSHCGMF,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,3,8.705731630325317 92682,3607,-1,,,,0.0,MS1_match,DKHAWRPWAKXFNA-MGSHXDRLSA-N,"InChI=1S/C22H26O7/c1-25-17-9-13(6-5-7-23)8-15-16(12-24)20(29-21(15)17)14-10-18(26-2)22(28-4)19(11-14)27-3/h5-6,8-11,16,20,23-24H,7,12H2,1-4H3/b6-5+/t16-,20+/m1/s1",COc1cc([C@@H]2Oc3c(OC)cc(/C=C/CO)cc3[C@H]2CO)cc(OC)c1OC,C22H26O7,pos_1_sodium,402.1678531719999,DKHAWRPWAKXFNA,Shikimates and Phenylpropanoids,Lignans,Neolignans,Coptis japonica,387829.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Coptis'],['Coptis japonica'],6,0,6.0 92680,3605,11,Alkaloids,Monoterpenoids,Iridoids monoterpenoids,0.32703358,ISDB,IDHUQZYNJINFBS-VWLVWCDXSA-N,"InChI=1S/C20H33N3O8S/c1-10(25)14-11-8-12(15(19(30)31)23(11)18(14)29)32-7-6-21-13(26)4-5-22-17(28)16(27)20(2,3)9-24/h10-12,14-16,24-25,27H,4-9H2,1-3H3,(H,21,26)(H,22,28)(H,30,31)/t10?,11-,12+,14+,15-,16+/m1/s1",CC(O)[C@@H]1C(=O)N2[C@@H]1C[C@H](SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO)[C@@H]2C(=O)O,C20H33N3O8S,,475.198836016,IDHUQZYNJINFBS,Amino acids and Peptides,,,Apis cerana,625771.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hymenoptera'],['Apidae'],['Apini'],['Apis'],['Apis cerana'],1,0,2.3081343173980713 92652,3599,-1,,,,0.830742,ISDB,JLZABDZBCSSSEW-SDRDYGDLSA-N,"InChI=1S/C32H38O19/c1-11-19(37)23(41)27(51-31-28(43)32(44,9-33)10-46-31)30(47-11)45-8-17-20(38)22(40)24(42)29(49-17)50-26-21(39)18-15(36)6-14(35)7-16(18)48-25(26)12-2-4-13(34)5-3-12/h2-7,11,17,19-20,22-24,27-31,33-38,40-44H,8-10H2,1H3/t11-,17+,19-,20-,22-,23+,24+,27+,28-,29-,30+,31-,32+/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@H](O)[C@H]1O,C32H38O19,,726.200728996,JLZABDZBCSSSEW,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Chenopodium quinoa,117198.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Chenopodiaceae'],['Atripliceae'],['Chenopodium'],['Chenopodium quinoa'],4,0,7.322968006134033 92649,3588,-1,,,,0.0,MS1_match,IZQSVPBOUDKVDZ-UHFFFAOYSA-N,"InChI=1S/C16H12O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)ccc1O,C16H12O7,pos_1_sodium,316.058302724,IZQSVPBOUDKVDZ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Delphinium semibarbatum,224726.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium semibarbatum'],6,0,6.0 92650,3588,-1,,,,0.0,MS1_match,IZQSVPBOUDKVDZ-UHFFFAOYSA-N,"InChI=1S/C16H12O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)ccc1O,C16H12O7,pos_1_sodium,316.058302724,IZQSVPBOUDKVDZ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Delphinium semibarbartum,3944980.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium semibarbartum'],6,0,6.0 92651,3588,-1,,,,0.0,MS1_match,IZQSVPBOUDKVDZ-UHFFFAOYSA-N,"InChI=1S/C16H12O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)ccc1O,C16H12O7,pos_1_sodium,316.058302724,IZQSVPBOUDKVDZ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Delphinium zalil,224726.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium semibarbatum'],6,0,6.0 92630,3586,1344,Terpenoids,Diterpenoids,Verticillane diterpenoids,0.36242452,ISDB,USYVWERWVKDSSW-KXBDFOAZSA-N,"InChI=1S/C28H37NO3/c1-18-5-8-21-9-12-24-26(28(21,3)4)25(17-19(2)16-23(31)15-18)29(27(24)32)14-13-20-6-10-22(30)11-7-20/h6-7,10-11,16,21,23-24,30-31H,1,5,8-9,12-15,17H2,2-4H3/b19-16+/t21-,23+,24+/m1/s1",C=C1CC[C@@H]2CC[C@@H]3C(=O)N(CCc4ccc(O)cc4)C(=C3C2(C)C)C/C(C)=C/[C@@H](O)C1,C28H37NO3,,435.277344044,USYVWERWVKDSSW,Terpenoids,Diterpenoids,Verticillane diterpenoids,Conglomeratusclera coerulea,7507656.0,['Eukaryota'],['Metazoa'],['Cnidaria'],['Anthozoa'],['Alcyonacea'],['Xeniidae'],['Unknown'],['Conglomeratusclera'],['Conglomeratusclera coerulea'],1,3,3.9496980905532837 92529,3584,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.295003,ISDB,LUHSAQXAWGYFFI-SLVUGFETSA-N,"InChI=1S/C45H38O18/c46-18-10-27(53)34-31(11-18)61-44(17-3-6-23(49)26(52)9-17)41(60)37(34)35-28(54)14-32-36(39(35)58)33(40(59)43(62-32)16-2-5-22(48)25(51)8-16)19-12-29(55)38(57)20-13-30(56)42(63-45(19)20)15-1-4-21(47)24(50)7-15/h1-12,14,30,33,37,40-44,46-60H,13H2/t30-,33+,37-,40-,41-,42-,43-,44-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc2c(c1O)[C@H](c1cc(O)c(O)c3c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C3)[C@@H](O)[C@@H](c1ccc(O)c(O)c1)O2,C45H38O18,,866.205814376,LUHSAQXAWGYFFI,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Kandelia candel,973786.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Rhizophoraceae'],['Unknown'],['Kandelia'],['Kandelia candel'],4,3,6.680011987686157 92526,3578,-1,,,,0.0,MS1_match,ODDNJYHUVXKJBI-SQLGEJSKSA-N,"InChI=1S/C15H28O3/c1-13(2,17)10-5-7-14(3)11(9-10)15(4,18)8-6-12(14)16/h10-12,16-18H,5-9H2,1-4H3/t10-,11+,12+,14+,15+/m1/s1",CC(C)(O)[C@@H]1CC[C@]2(C)[C@@H](O)CC[C@](C)(O)[C@H]2C1,C15H28O3,pos_2MNa,256.203844756,ODDNJYHUVXKJBI,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Tripterygium wilfordii,300831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium wilfordii'],6,0,6.0 92527,3578,-1,,,,0.0,MS1_match,ODDNJYHUVXKJBI-SQLGEJSKSA-N,"InChI=1S/C15H28O3/c1-13(2,17)10-5-7-14(3)11(9-10)15(4,18)8-6-12(14)16/h10-12,16-18H,5-9H2,1-4H3/t10-,11+,12+,14+,15+/m1/s1",CC(C)(O)[C@@H]1CC[C@]2(C)[C@@H](O)CC[C@](C)(O)[C@H]2C1,C15H28O3,pos_2MNa,256.203844756,ODDNJYHUVXKJBI,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Tripterygium regelii,483028.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium regelii'],6,0,6.0 92528,3578,-1,,,,0.0,MS1_match,OCOXBRHAPZDTPL-UHFFFAOYSA-N,"InChI=1S/C15H28O3/c1-10-5-6-12(16)15(18)8-7-11(13(2,3)17)9-14(10,15)4/h10-12,16-18H,5-9H2,1-4H3",CC1CCC(O)C2(O)CCC(C(C)(C)O)CC12C,C15H28O3,pos_2MNa,256.203844756,OCOXBRHAPZDTPL,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 92442,3577,-1,,,,0.67393994,ISDB,JDVDGNAHTZMMBI-UHFFFAOYSA-N,"InChI=1S/C21H36O3/c1-5-7-8-9-10-11-12-13-14-15-16-19-17(3)20(22)18(6-2)21(23-4)24-19/h5-16H2,1-4H3",CCCCCCCCCCCCc1oc(OC)c(CC)c(=O)c1C,C21H36O3,,336.266445012,JDVDGNAHTZMMBI,Polyketides,Cyclic polyketides,4-pyrone derivatives,Podolepis rugata,24091.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Podolepis'],['Podolepis rugata'],4,0,6.6957597732543945 92432,3573,1506,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_1_1proton1ammonium,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera microphylla,980075.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera microphylla'],7,3,8.5 92430,3572,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QJVXKWHHAMZTBY-GCPOEHJPSA-N,"InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3+/t12-,13-,14+,15-,17+/m1/s1",COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H24O9,pos_1_1proton1acetonitrile,372.142032348,QJVXKWHHAMZTBY,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Clematis hexapetala,226633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis hexapetala'],8,0,8.0 92431,3572,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QJVXKWHHAMZTBY-GCPOEHJPSA-N,"InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3+/t12-,13-,14+,15-,17+/m1/s1",COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H24O9,pos_1_1proton1acetonitrile,372.142032348,QJVXKWHHAMZTBY,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Clematis hexapetala,226633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis hexapetala'],8,0,8.0 92424,3571,411,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,PUPKKEQDLNREIM-QNSQPKOQSA-N,"InChI=1S/C27H30O14/c1-9-17(30)20(33)22(35)26(37-9)39-13-7-14(29)16-15(8-13)40-24(11-3-5-12(28)6-4-11)25(19(16)32)41-27-23(36)21(34)18(31)10(2)38-27/h3-10,17-18,20-23,26-31,33-36H,1-2H3/t9-,10-,17-,18-,20+,21+,22+,23+,26-,27-/m0/s1",C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)c(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@H](O)[C@H]1O,C27H30O14,pos_1_sodium,578.1635556399999,PUPKKEQDLNREIM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Aconitum vulparia,5511358.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum lycoctonum'],6,3,7.5 92425,3571,411,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,PUPKKEQDLNREIM-QNSQPKOQSA-N,"InChI=1S/C27H30O14/c1-9-17(30)20(33)22(35)26(37-9)39-13-7-14(29)16-15(8-13)40-24(11-3-5-12(28)6-4-11)25(19(16)32)41-27-23(36)21(34)18(31)10(2)38-27/h3-10,17-18,20-23,26-31,33-36H,1-2H3/t9-,10-,17-,18-,20+,21+,22+,23+,26-,27-/m0/s1",C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)c(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@H](O)[C@H]1O,C27H30O14,pos_1_sodium,578.1635556399999,PUPKKEQDLNREIM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Celastrus orbiculatus,56757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Celastrus'],['Celastrus orbiculatus'],6,3,7.5 92426,3571,411,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,PUPKKEQDLNREIM-QNSQPKOQSA-N,"InChI=1S/C27H30O14/c1-9-17(30)20(33)22(35)26(37-9)39-13-7-14(29)16-15(8-13)40-24(11-3-5-12(28)6-4-11)25(19(16)32)41-27-23(36)21(34)18(31)10(2)38-27/h3-10,17-18,20-23,26-31,33-36H,1-2H3/t9-,10-,17-,18-,20+,21+,22+,23+,26-,27-/m0/s1",C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)c(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@H](O)[C@H]1O,C27H30O14,pos_1_sodium,578.1635556399999,PUPKKEQDLNREIM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Aconitum vulparia,5511358.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum lycoctonum'],6,3,7.5 92427,3571,411,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,PUPKKEQDLNREIM-QNSQPKOQSA-N,"InChI=1S/C27H30O14/c1-9-17(30)20(33)22(35)26(37-9)39-13-7-14(29)16-15(8-13)40-24(11-3-5-12(28)6-4-11)25(19(16)32)41-27-23(36)21(34)18(31)10(2)38-27/h3-10,17-18,20-23,26-31,33-36H,1-2H3/t9-,10-,17-,18-,20+,21+,22+,23+,26-,27-/m0/s1",C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)c(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@H](O)[C@H]1O,C27H30O14,pos_1_sodium,578.1635556399999,PUPKKEQDLNREIM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Celastrus orbiculatus,56757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Celastrus'],['Celastrus orbiculatus'],6,3,7.5 92428,3571,411,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,UREPCGRALLQPJF-CTVCQPQISA-N,"InChI=1S/C27H30O14/c1-9(28)22-18(33)20(35)26(39-22)37-13-7-14(31)16-15(8-13)38-24(11-3-5-12(30)6-4-11)25(17(16)32)41-27-21(36)19(34)23(40-27)10(2)29/h3-10,18-23,26-31,33-36H,1-2H3/t9-,10-,18-,19+,20+,21-,22+,23-,26+,27+/m0/s1",C[C@H](O)[C@@H]1O[C@H](Oc2c(-c3ccc(O)cc3)oc3cc(O[C@@H]4O[C@H]([C@H](C)O)[C@@H](O)[C@H]4O)cc(O)c3c2=O)[C@@H](O)[C@H]1O,C27H30O14,pos_1_sodium,578.1635556399999,UREPCGRALLQPJF,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Aconitum orientale,586781.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum orientale'],6,3,7.5 92429,3571,411,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,UREPCGRALLQPJF-CTVCQPQISA-N,"InChI=1S/C27H30O14/c1-9(28)22-18(33)20(35)26(39-22)37-13-7-14(31)16-15(8-13)38-24(11-3-5-12(30)6-4-11)25(17(16)32)41-27-21(36)19(34)23(40-27)10(2)29/h3-10,18-23,26-31,33-36H,1-2H3/t9-,10-,18-,19+,20+,21-,22+,23-,26+,27+/m0/s1",C[C@H](O)[C@@H]1O[C@H](Oc2c(-c3ccc(O)cc3)oc3cc(O[C@@H]4O[C@H]([C@H](C)O)[C@@H](O)[C@H]4O)cc(O)c3c2=O)[C@@H](O)[C@H]1O,C27H30O14,pos_1_sodium,578.1635556399999,UREPCGRALLQPJF,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Aconitum orientale,586781.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum orientale'],6,3,7.5 92420,3563,-1,,,,0.0,MS1_match,VQCXCCMCKDSXMQ-UHFFFAOYSA-N,"InChI=1S/C17H14O5/c1-9-13(21-2)8-15-16(17(9)20)12(19)7-14(22-15)10-3-5-11(18)6-4-10/h3-8,18,20H,1-2H3",COc1cc2oc(-c3ccc(O)cc3)cc(=O)c2c(O)c1C,C17H14O5,pos_2MH,298.084123548,VQCXCCMCKDSXMQ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Hydrastis canadensis,1072050.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Hydrastis'],['Hydrastis canadensis'],6,0,6.0 92421,3563,-1,,,,0.0,MS1_match,KJGPBYUQZLUKLL-UHFFFAOYSA-N,"InChI=1S/C17H14O5/c1-20-11-5-3-10(4-6-11)13-9-22-15-8-14(18)16(21-2)7-12(15)17(13)19/h3-9,18H,1-2H3",COc1ccc(-c2coc3cc(O)c(OC)cc3c2=O)cc1,C17H14O5,pos_2MH,298.084123548,KJGPBYUQZLUKLL,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Thalictrum flavum,250783.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum flavum'],6,0,6.0 92422,3563,-1,,,,0.0,MS1_match,IFIBDPUYMKDGNN-UHFFFAOYSA-N,"InChI=1S/C17H14O5/c1-9-14(21-2)7-12(19)16-13(20)8-15(22-17(9)16)10-3-5-11(18)6-4-10/h3-8,18-19H,1-2H3",COc1cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1C,C17H14O5,pos_2MH,298.084123548,IFIBDPUYMKDGNN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Hydrastis canadensis,1072050.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Hydrastis'],['Hydrastis canadensis'],6,0,6.0 92423,3563,-1,,,,0.0,MS1_match,YODABPUZPVYDEF-CIBWSIAMSA-O,"InChI=1S/C53H58O30/c1-18-34(58)39(63)43(67)50(76-18)75-17-33-38(62)42(66)46(70)53(83-33)80-30-14-25-26(55)12-24(13-29(25)79-47(30)21-10-27(56)35(59)28(57)11-21)78-52-45(69)41(65)37(61)32(82-52)16-74-49(72)20-4-8-23(9-5-20)77-51-44(68)40(64)36(60)31(81-51)15-73-48(71)19-2-6-22(54)7-3-19/h2-14,18,31-34,36-46,50-53,58,60-70H,15-17H2,1H3,(H4-,54,55,56,57,59,71)/p+1/t18-,31+,32+,33+,34-,36+,37+,38+,39+,40-,41-,42-,43+,44+,45+,46+,50+,51+,52+,53+/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O)cc(=[O+][C@@H]5O[C@H](COC(=O)c6ccc(O[C@@H]7O[C@H](COC(O)=C8C=CC(=O)C=C8)[C@@H](O)[C@H](O)[C@H]7O)cc6)[C@@H](O)[C@H](O)[C@H]5O)cc-4oc3-c3cc(O)c(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C53H59O30+,pos_2_2proton1ammonium,1175.30856690809,YODABPUZPVYDEF,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Aconitum fischeri,586780.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum napellus'],6,0,6.0 92405,3559,-1,,,,0.0,MS1_match,TYWXNGXVSZRXNA-NVZSGMJQSA-N,"InChI=1S/C11H16O8/c12-3-6-8(14)9(15)10(16)11(19-6)17-4-5-1-2-7(13)18-5/h1-2,5-6,8-12,14-16H,3-4H2/t5-,6+,8+,9-,10+,11+/m0/s1",O=C1C=C[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O1,C11H16O8,pos_1_sodium,276.084517472,TYWXNGXVSZRXNA,,,,Clematis ligusticifolia,964063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis ligusticifolia'],8,0,8.0 92404,3558,195,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,NNJLQFGHDVXBQL-UHFFFAOYSA-N,"InChI=1S/C38H52N2O10/c1-6-14-39-18-35(19-50-33(44)21-10-8-9-11-24(21)40-27(41)15-20(7-2)32(40)43)13-12-26(48-4)37-23-16-22-25(47-3)17-36(45,28(23)29(22)42)38(46,34(37)39)31(49-5)30(35)37/h8-11,20,22-23,25-26,28-31,34,42,45-46H,6-7,12-19H2,1-5H3",CCCN1CC2(COC(=O)c3ccccc3N3C(=O)CC(CC)C3=O)CCC(OC)C34C5CC6C(OC)CC(O)(C5C6O)C(O)(C(OC)C23)C14,C38H52N2O10,pos_2_2proton2acetonitrile,696.362195864,NNJLQFGHDVXBQL,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium macrocentrum,259368.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium macrocentrum'],6,3,7.5 92388,3557,165,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,TYWXNGXVSZRXNA-NVZSGMJQSA-N,"InChI=1S/C11H16O8/c12-3-6-8(14)9(15)10(16)11(19-6)17-4-5-1-2-7(13)18-5/h1-2,5-6,8-12,14-16H,3-4H2/t5-,6+,8+,9-,10+,11+/m0/s1",O=C1C=C[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O1,C11H16O8,pos_1_1proton1ammonium,276.084517472,TYWXNGXVSZRXNA,,,,Clematis ligusticifolia,964063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis ligusticifolia'],8,0,8.0 92386,3556,-1,,,,0.0,MS1_match,IBQVOWQTGYYRJP-GEHXJZNZSA-N,"InChI=1S/C26H32O13/c1-34-16-7-12(3-5-14(16)28)22-25(32)10-37-23(26(25,33)11-36-22)13-4-6-15(17(8-13)35-2)38-24-21(31)20(30)19(29)18(9-27)39-24/h3-8,18-24,27-33H,9-11H2,1-2H3/t18-,19-,20+,21-,22-,23-,24-,25+,26+/m1/s1",COc1cc([C@H]2OC[C@]3(O)[C@@H](c4ccc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)c(OC)c4)OC[C@]23O)ccc1O,C26H32O13,pos_1_1proton1ammonium,552.1842910839998,IBQVOWQTGYYRJP,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Valeriana prionophylla,526653.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana prionophylla'],6,0,6.0 92387,3556,-1,,,,0.0,MS1_match,IBQVOWQTGYYRJP-GEHXJZNZSA-N,"InChI=1S/C26H32O13/c1-34-16-7-12(3-5-14(16)28)22-25(32)10-37-23(26(25,33)11-36-22)13-4-6-15(17(8-13)35-2)38-24-21(31)20(30)19(29)18(9-27)39-24/h3-8,18-24,27-33H,9-11H2,1-2H3/t18-,19-,20+,21-,22-,23-,24-,25+,26+/m1/s1",COc1cc([C@H]2OC[C@]3(O)[C@@H](c4ccc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)c(OC)c4)OC[C@]23O)ccc1O,C26H32O13,pos_1_1proton1ammonium,552.1842910839998,IBQVOWQTGYYRJP,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 92375,3553,-1,,,,0.0,MS1_match,BGDMXWQJUGENQP-QPCLWJSESA-N,"InChI=1S/C21H34O11/c1-9(2)3-15(25)32-20-16-11(4-13(24)12(16)5-22)10(7-29-20)8-30-21-19(28)18(27)17(26)14(6-23)31-21/h7,9,11-14,16-24,26-28H,3-6,8H2,1-2H3/t11-,12+,13+,14-,16+,17-,18+,19-,20+,21-/m1/s1",CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2C[C@H](O)[C@H](CO)[C@@H]12,C21H34O11,pos_1_1proton1acetonitrile,462.2101119079999,BGDMXWQJUGENQP,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 92376,3553,-1,,,,0.0,MS1_match,BGDMXWQJUGENQP-QPCLWJSESA-N,"InChI=1S/C21H34O11/c1-9(2)3-15(25)32-20-16-11(4-13(24)12(16)5-22)10(7-29-20)8-30-21-19(28)18(27)17(26)14(6-23)31-21/h7,9,11-14,16-24,26-28H,3-6,8H2,1-2H3/t11-,12+,13+,14-,16+,17-,18+,19-,20+,21-/m1/s1",CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2C[C@H](O)[C@H](CO)[C@@H]12,C21H34O11,pos_1_1proton1acetonitrile,462.2101119079999,BGDMXWQJUGENQP,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana fauriei,228778.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana fauriei'],6,0,6.0 92377,3553,-1,,,,0.0,MS1_match,BGDMXWQJUGENQP-QPCLWJSESA-N,"InChI=1S/C21H34O11/c1-9(2)3-15(25)32-20-16-11(4-13(24)12(16)5-22)10(7-29-20)8-30-21-19(28)18(27)17(26)14(6-23)31-21/h7,9,11-14,16-24,26-28H,3-6,8H2,1-2H3/t11-,12+,13+,14-,16+,17-,18+,19-,20+,21-/m1/s1",CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2C[C@H](O)[C@H](CO)[C@@H]12,C21H34O11,pos_1_1proton1acetonitrile,462.2101119079999,BGDMXWQJUGENQP,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia gibbosa,231859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia gibbosa'],6,0,6.0 92378,3553,-1,,,,0.0,MS1_match,BGDMXWQJUGENQP-UHFFFAOYSA-N,"InChI=1S/C21H34O11/c1-9(2)3-15(25)32-20-16-11(4-13(24)12(16)5-22)10(7-29-20)8-30-21-19(28)18(27)17(26)14(6-23)31-21/h7,9,11-14,16-24,26-28H,3-6,8H2,1-2H3",CC(C)CC(=O)OC1OC=C(COC2OC(CO)C(O)C(O)C2O)C2CC(O)C(CO)C12,C21H34O11,pos_1_1proton1acetonitrile,462.2101119079999,BGDMXWQJUGENQP,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia scabiosifolia,231856.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia scabiosifolia'],6,0,6.0 92379,3553,-1,,,,0.0,MS1_match,BGDMXWQJUGENQP-QPCLWJSESA-N,"InChI=1S/C21H34O11/c1-9(2)3-15(25)32-20-16-11(4-13(24)12(16)5-22)10(7-29-20)8-30-21-19(28)18(27)17(26)14(6-23)31-21/h7,9,11-14,16-24,26-28H,3-6,8H2,1-2H3/t11-,12+,13+,14-,16+,17-,18+,19-,20+,21-/m1/s1",CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2C[C@H](O)[C@H](CO)[C@@H]12,C21H34O11,pos_1_1proton1acetonitrile,462.2101119079999,BGDMXWQJUGENQP,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 92380,3553,-1,,,,0.0,MS1_match,BGDMXWQJUGENQP-QPCLWJSESA-N,"InChI=1S/C21H34O11/c1-9(2)3-15(25)32-20-16-11(4-13(24)12(16)5-22)10(7-29-20)8-30-21-19(28)18(27)17(26)14(6-23)31-21/h7,9,11-14,16-24,26-28H,3-6,8H2,1-2H3/t11-,12+,13+,14-,16+,17-,18+,19-,20+,21-/m1/s1",CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2C[C@H](O)[C@H](CO)[C@@H]12,C21H34O11,pos_1_1proton1acetonitrile,462.2101119079999,BGDMXWQJUGENQP,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana fauriei,228778.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana fauriei'],6,0,6.0 92381,3553,-1,,,,0.0,MS1_match,BGDMXWQJUGENQP-QPCLWJSESA-N,"InChI=1S/C21H34O11/c1-9(2)3-15(25)32-20-16-11(4-13(24)12(16)5-22)10(7-29-20)8-30-21-19(28)18(27)17(26)14(6-23)31-21/h7,9,11-14,16-24,26-28H,3-6,8H2,1-2H3/t11-,12+,13+,14-,16+,17-,18+,19-,20+,21-/m1/s1",CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2C[C@H](O)[C@H](CO)[C@@H]12,C21H34O11,pos_1_1proton1acetonitrile,462.2101119079999,BGDMXWQJUGENQP,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia gibbosa,231859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia gibbosa'],6,0,6.0 92382,3553,-1,,,,0.0,MS1_match,BGDMXWQJUGENQP-UHFFFAOYSA-N,"InChI=1S/C21H34O11/c1-9(2)3-15(25)32-20-16-11(4-13(24)12(16)5-22)10(7-29-20)8-30-21-19(28)18(27)17(26)14(6-23)31-21/h7,9,11-14,16-24,26-28H,3-6,8H2,1-2H3",CC(C)CC(=O)OC1OC=C(COC2OC(CO)C(O)C(O)C2O)C2CC(O)C(CO)C12,C21H34O11,pos_1_1proton1acetonitrile,462.2101119079999,BGDMXWQJUGENQP,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia scabiosifolia,231856.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia scabiosifolia'],6,0,6.0 92383,3553,-1,,,,0.0,MS1_match,RKKLMLPXHGWOKI-FXHXVMKNSA-N,"InChI=1S/C21H34O11/c1-10-5-31-21(11(2)3-4-12(10)21)9-30-18-16(25)15(24)14(23)13(32-18)6-28-19-17(26)20(27,7-22)8-29-19/h3,10,12-19,22-27H,4-9H2,1-2H3/t10-,12-,13-,14-,15+,16-,17+,18-,19-,20-,21-/m1/s1",CC1=CC[C@@H]2[C@H](C)CO[C@]12CO[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C21H34O11,pos_1_1proton1acetonitrile,462.2101119079999,RKKLMLPXHGWOKI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia scabra,68239.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia scabra'],6,0,6.0 92384,3553,-1,,,,0.0,MS1_match,LANCLZFYVLANQS-RHMPUOGUSA-N,"InChI=1S/C21H34O11/c1-9(2)4-14(24)32-19-15-11(5-13(23)21(15,3)28)10(7-29-19)8-30-20-18(27)17(26)16(25)12(6-22)31-20/h7,9,11-13,15-20,22-23,25-28H,4-6,8H2,1-3H3/t11-,12-,13+,15-,16-,17+,18-,19+,20-,21-/m1/s1",CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2C[C@H](O)[C@@](C)(O)[C@@H]12,C21H34O11,pos_1_1proton1acetonitrile,462.210111908,LANCLZFYVLANQS,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,0,6.0 92385,3553,-1,,,,0.0,MS1_match,LANCLZFYVLANQS-RHMPUOGUSA-N,"InChI=1S/C21H34O11/c1-9(2)4-14(24)32-19-15-11(5-13(23)21(15,3)28)10(7-29-19)8-30-20-18(27)17(26)16(25)12(6-22)31-20/h7,9,11-13,15-20,22-23,25-28H,4-6,8H2,1-3H3/t11-,12-,13+,15-,16-,17+,18-,19+,20-,21-/m1/s1",CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2C[C@H](O)[C@@](C)(O)[C@@H]12,C21H34O11,pos_1_1proton1acetonitrile,462.210111908,LANCLZFYVLANQS,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia gibbosa,231859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia gibbosa'],6,0,6.0 92374,3543,333,Terpenoids,Steroids,Ergostane steroids,0.20192729,ISDB,LLYWQHCOIOSCFV-BELJYMGFSA-N,"InChI=1S/C39H68O6/c1-24(2)25(3)12-13-26(4)30-16-17-31-29-15-14-27-22-28(18-20-33(27,5)32(29)19-21-34(30,31)6)44-38(10)35(7,23-40)45-39(11,43)37(9,42)36(38,8)41/h14,24-26,28-32,40-43H,12-13,15-23H2,1-11H3/t25-,26-,28+,29-,30-,31-,32-,33-,34-,35+,36-,37+,38+,39+/m1/s1",CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O[C@]5(C)[C@](C)(O)[C@](C)(O)[C@@](C)(O)O[C@@]5(C)CO)CC[C@@]4(C)[C@@H]3CC[C@@]21C,C39H68O6,,632.501589896,LLYWQHCOIOSCFV,Terpenoids,Steroids,Ergostane steroids,Prunus mahaleb,1012886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mahaleb'],4,3,6.307709157466888 92369,3541,165,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,NEVMWOQJRSZYIC-UUANRDTJSA-N,"InChI=1S/C30H36O18/c1-39-13-5-11-6-14(40-2)25(13)47-29-23(35)21(33)19(31)17(45-29)10-44-28(38)12-7-15(41-3)26(16(8-12)42-4)48-30-24(36)22(34)20(32)18(46-30)9-43-27(11)37/h5-8,17-24,29-36H,9-10H2,1-4H3/t17-,18-,19-,20-,21+,22+,23-,24-,29+,30+/m1/s1",COc1cc2cc(OC)c1O[C@@H]1O[C@H](COC(=O)c3cc(OC)c(c(OC)c3)O[C@@H]3O[C@H](COC2=O)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]1O,C30H36O18,pos_3_3proton,684.190164312,NEVMWOQJRSZYIC,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Clematis hexapetala,226633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis hexapetala'],8,3,9.5 92362,3539,-1,,,,0.0,MS1_match,JBXDRWCPGRKZIO-XTXTUNRQSA-N,"InChI=1S/C26H28O15/c27-7-15-18(32)20(34)22(36)26(40-15)41-24-19(33)16-12(29)5-11(38-25-21(35)17(31)13(30)8-37-25)6-14(16)39-23(24)9-1-3-10(28)4-2-9/h1-6,13,15,17-18,20-22,25-32,34-36H,7-8H2/t13-,15+,17-,18-,20-,21+,22+,25-,26-/m0/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)cc(O)c12,C26H28O15,pos_1_sodium,580.142820196,JBXDRWCPGRKZIO,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Aconitum variegatum,586783.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum variegatum'],6,0,6.0 92363,3539,-1,,,,0.0,MS1_match,WYYFCTVKFALPQV-MCIQUCDDSA-N,"InChI=1S/C26H28O15/c27-5-13-18(33)21(36)23(38)26(41-13)16-20(35)15(25-22(37)17(32)11(31)6-39-25)19(34)14-10(30)4-12(40-24(14)16)7-1-2-8(28)9(29)3-7/h1-4,11,13,17-18,21-23,25-29,31-38H,5-6H2/t11-,13-,17+,18-,21+,22-,23-,25+,26+/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c([C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)c(O)c12,C26H28O15,pos_1_sodium,580.142820196,WYYFCTVKFALPQV,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Adonis vernalis,693556.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Adonideae'],['Adonis'],['Adonis vernalis'],6,0,6.0 92364,3539,-1,,,,0.0,MS1_match,ZPPQIOUITZSYAO-VFRNZNEBSA-O,"InChI=1S/C26H28O15/c27-7-18-20(34)21(35)24(41-25-22(36)19(33)15(32)8-37-25)26(40-18)39-17-6-11-13(30)4-10(28)5-16(11)38-23(17)9-1-2-12(29)14(31)3-9/h1-6,15,18-22,24-27,32-36H,7-8H2,(H3-,28,29,30,31)/p+1/t15-,18+,19+,20+,21-,22+,24-,25-,26+/m0/s1",OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@@H](O[C@@H]2OC[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C26H29O15+,pos_1_sodium,581.15009664809,ZPPQIOUITZSYAO,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Ranunculus asiaticus,658672.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus asiaticus'],6,0,6.0 92365,3539,-1,,,,0.0,MS1_match,RQLWDYSEFWBFBP-FAKSOFLMSA-N,"InChI=1S/C26H28O15/c27-6-16-20(35)21(36)25(41-26-22(37)19(34)14(33)7-38-26)24(40-16)18-12(31)4-11(30)17-13(32)5-15(39-23(17)18)8-1-2-9(28)10(29)3-8/h1-5,14,16,19-22,24-31,33-37H,6-7H2/t14-,16-,19-,20-,21+,22-,24+,25-,26-/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@H]3OC[C@@H](O)[C@@H](O)[C@H]3O)c(O)cc(O)c12,C26H28O15,pos_1_sodium,580.1428201959998,RQLWDYSEFWBFBP,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Ranunculus japonicus,140131.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus japonicus'],6,0,6.0 92366,3539,-1,,,,0.0,MS1_match,RQLWDYSEFWBFBP-VXSQXEALSA-N,"InChI=1S/C26H28O15/c27-6-16-20(35)21(36)25(41-26-22(37)19(34)14(33)7-38-26)24(40-16)18-12(31)4-11(30)17-13(32)5-15(39-23(17)18)8-1-2-9(28)10(29)3-8/h1-5,14,16,19-22,24-31,33-37H,6-7H2/t14-,16+,19-,20+,21-,22+,24-,25+,26-/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2c([C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O[C@H]3OC[C@@H](O)[C@@H](O)[C@@H]3O)c(O)cc(O)c12,C26H28O15,pos_1_sodium,580.142820196,RQLWDYSEFWBFBP,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Adonis vernalis,693556.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Adonideae'],['Adonis'],['Adonis vernalis'],6,0,6.0 92367,3539,-1,,,,0.0,MS1_match,RQLWDYSEFWBFBP-FAKSOFLMSA-N,"InChI=1S/C26H28O15/c27-6-16-20(35)21(36)25(41-26-22(37)19(34)14(33)7-38-26)24(40-16)18-12(31)4-11(30)17-13(32)5-15(39-23(17)18)8-1-2-9(28)10(29)3-8/h1-5,14,16,19-22,24-31,33-37H,6-7H2/t14-,16-,19-,20-,21+,22-,24+,25-,26-/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@H]3OC[C@@H](O)[C@@H](O)[C@H]3O)c(O)cc(O)c12,C26H28O15,pos_1_sodium,580.1428201959998,RQLWDYSEFWBFBP,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Ranunculus japonicus,140131.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus japonicus'],6,0,6.0 92368,3539,-1,,,,0.0,MS1_match,RQLWDYSEFWBFBP-VXSQXEALSA-N,"InChI=1S/C26H28O15/c27-6-16-20(35)21(36)25(41-26-22(37)19(34)14(33)7-38-26)24(40-16)18-12(31)4-11(30)17-13(32)5-15(39-23(17)18)8-1-2-9(28)10(29)3-8/h1-5,14,16,19-22,24-31,33-37H,6-7H2/t14-,16+,19-,20+,21-,22+,24-,25+,26-/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2c([C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O[C@H]3OC[C@@H](O)[C@@H](O)[C@@H]3O)c(O)cc(O)c12,C26H28O15,pos_1_sodium,580.142820196,RQLWDYSEFWBFBP,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Adonis vernalis,693556.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Adonideae'],['Adonis'],['Adonis vernalis'],6,0,6.0 92361,3538,-1,,,,0.0,MS1_match,RTWCTRFVACGXAD-FUEGPVBASA-N,"InChI=1S/C32H44O14/c1-16(10-11-41-22-13-20-19(12-21(22)40-4)8-9-24(33)45-20)6-5-7-17(2)14-42-32-30(39)28(37)26(35)23(46-32)15-43-31-29(38)27(36)25(34)18(3)44-31/h7-10,12-13,18,23,25-32,34-39H,5-6,11,14-15H2,1-4H3/b16-10+,17-7-/t18-,23+,25-,26+,27+,28-,29+,30+,31+,32+/m0/s1",COc1cc2ccc(=O)oc2cc1OC/C=C(\C)CC/C=C(/C)CO[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C32H44O14,pos_1_sodium,652.273106088,RTWCTRFVACGXAD,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Coptis trifolia,982768.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Coptis'],['Coptis trifolia'],6,0,6.0 92346,3534,-1,,,,0.0,MS1_match,TYWXNGXVSZRXNA-NVZSGMJQSA-N,"InChI=1S/C11H16O8/c12-3-6-8(14)9(15)10(16)11(19-6)17-4-5-1-2-7(13)18-5/h1-2,5-6,8-12,14-16H,3-4H2/t5-,6+,8+,9-,10+,11+/m0/s1",O=C1C=C[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O1,C11H16O8,pos_1_1potassium,276.084517472,TYWXNGXVSZRXNA,,,,Clematis ligusticifolia,964063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis ligusticifolia'],8,0,8.0 92331,3531,-1,,,,0.0,MS1_match,TYWXNGXVSZRXNA-NVZSGMJQSA-N,"InChI=1S/C11H16O8/c12-3-6-8(14)9(15)10(16)11(19-6)17-4-5-1-2-7(13)18-5/h1-2,5-6,8-12,14-16H,3-4H2/t5-,6+,8+,9-,10+,11+/m0/s1",O=C1C=C[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O1,C11H16O8,pos_1_1proton1acetonitrile,276.084517472,TYWXNGXVSZRXNA,,,,Clematis ligusticifolia,964063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis ligusticifolia'],8,0,8.0 92329,3530,627,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,BMRSEYFENKXDIS-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O8,pos_2MNa,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 92330,3530,627,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,BMRSEYFENKXDIS-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O8,pos_2MNa,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 92286,3528,-1,,,,0.42331576,ISDB,PQZFVGYQXOZIIR-DEVQJBAHSA-N,"InChI=1S/C16H17NOS/c18-16(17-12-6-3-7-13-17)11-5-2-1-4-9-15-10-8-14-19-15/h1-2,4-6,8-12,14H,3,7,13H2/b2-1+,9-4+,11-5+",O=C(/C=C/C=C/C=C/c1cccs1)N1C=CCCC1,C16H17NOS,,271.103085164,PQZFVGYQXOZIIR,,,,Otanthus maritimus,195139.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Otanthus'],['Otanthus maritimus'],4,0,5.693263053894043 92268,3527,1205,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Terpenoid alkaloids,0.0,MS1_match,JWXKYGKJJZXYFA-PDVHHVOWSA-N,"InChI=1S/C33H42N2O10/c1-16(36)35-21-9-7-6-8-18(21)28(38)44-15-30-11-10-23(42-4)32-20-12-19-22(41-3)13-31(39,24(20)25(19)45-17(2)37)33(40,29(32)34-14-30)27(43-5)26(30)32/h6-9,14,19-20,22-27,29,39-40H,10-13,15H2,1-5H3,(H,35,36)/t19-,20-,22+,23+,24-,25+,26-,27+,29+,30+,31-,32+,33-/m1/s1",CO[C@H]1C[C@@]2(O)[C@H]3[C@@H](OC(C)=O)[C@@H]1C[C@H]3[C@@]13[C@@H](OC)CC[C@@]4(COC(=O)c5ccccc5NC(C)=O)C=N[C@@H]1[C@]2(O)[C@@H](OC)[C@H]43,C33H42N2O10,pos_2_1proton1sodium,626.283945544,JWXKYGKJJZXYFA,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium ajacis,756488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida ajacis'],6,3,7.5 92269,3527,1205,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Terpenoid alkaloids,0.0,MS1_match,JWXKYGKJJZXYFA-PDVHHVOWSA-N,"InChI=1S/C33H42N2O10/c1-16(36)35-21-9-7-6-8-18(21)28(38)44-15-30-11-10-23(42-4)32-20-12-19-22(41-3)13-31(39,24(20)25(19)45-17(2)37)33(40,29(32)34-14-30)27(43-5)26(30)32/h6-9,14,19-20,22-27,29,39-40H,10-13,15H2,1-5H3,(H,35,36)/t19-,20-,22+,23+,24-,25+,26-,27+,29+,30+,31-,32+,33-/m1/s1",CO[C@H]1C[C@@]2(O)[C@H]3[C@@H](OC(C)=O)[C@@H]1C[C@H]3[C@@]13[C@@H](OC)CC[C@@]4(COC(=O)c5ccccc5NC(C)=O)C=N[C@@H]1[C@]2(O)[C@@H](OC)[C@H]43,C33H42N2O10,pos_2_1proton1sodium,626.283945544,JWXKYGKJJZXYFA,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Consolida ajacis,756488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida ajacis'],6,3,7.5 92261,3525,189,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,ZFAHFNHITMYOLF-KBHLDNDPSA-N,"InChI=1S/C42H46O23/c1-15-28(49)38(64-41-35(56)33(54)30(51)25(63-41)14-58-26(48)9-3-16-2-8-20(45)21(46)10-16)36(57)42(59-15)60-19-11-22(47)27-23(12-19)61-37(17-4-6-18(44)7-5-17)39(31(27)52)65-40-34(55)32(53)29(50)24(13-43)62-40/h2-12,15,24-25,28-30,32-36,38,40-47,49-51,53-57H,13-14H2,1H3/b9-3+/t15-,24+,25+,28-,29+,30+,32-,33-,34+,35+,36+,38+,40-,41-,42-/m0/s1",C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@H](O[C@@H]2O[C@H](COC(=O)/C=C/c3ccc(O)c(O)c3)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C42H46O23,pos_1_sodium,918.242987732,ZFAHFNHITMYOLF,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Aconitum napellus,586780.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum napellus'],6,3,7.5 92262,3525,189,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,AOXSSLNAZRFCMH-HXMTWWTKSA-N,"InChI=1S/C42H46O23/c1-15-28(49)34(55)39(65-41-36(57)33(54)30(51)25(63-41)14-58-26(48)9-3-16-2-8-20(45)21(46)10-16)42(59-15)60-19-11-22(47)27-23(12-19)61-37(17-4-6-18(44)7-5-17)38(31(27)52)64-40-35(56)32(53)29(50)24(13-43)62-40/h2-12,15,24-25,28-30,32-36,39-47,49-51,53-57H,13-14H2,1H3/b9-3+/t15-,24+,25+,28-,29+,30+,32-,33-,34+,35+,36+,39+,40-,41-,42-/m0/s1",C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(-c4ccc(O)cc4)oc3c2)[C@H](O[C@@H]2O[C@H](COC(=O)/C=C/c3ccc(O)c(O)c3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O,C42H46O23,pos_1_sodium,918.242987732,AOXSSLNAZRFCMH,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Aconitum jaluense,549539.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum jaluense'],6,3,7.5 92263,3525,189,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,AOXSSLNAZRFCMH-HXMTWWTKSA-N,"InChI=1S/C42H46O23/c1-15-28(49)34(55)39(65-41-36(57)33(54)30(51)25(63-41)14-58-26(48)9-3-16-2-8-20(45)21(46)10-16)42(59-15)60-19-11-22(47)27-23(12-19)61-37(17-4-6-18(44)7-5-17)38(31(27)52)64-40-35(56)32(53)29(50)24(13-43)62-40/h2-12,15,24-25,28-30,32-36,39-47,49-51,53-57H,13-14H2,1H3/b9-3+/t15-,24+,25+,28-,29+,30+,32-,33-,34+,35+,36+,39+,40-,41-,42-/m0/s1",C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(-c4ccc(O)cc4)oc3c2)[C@H](O[C@@H]2O[C@H](COC(=O)/C=C/c3ccc(O)c(O)c3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O,C42H46O23,pos_1_sodium,918.242987732,AOXSSLNAZRFCMH,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Aconitum chiisanense,921879.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum chiisanense'],6,3,7.5 92264,3525,189,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JHYIWORKFFMOIP-WBHBZCBISA-N,"InChI=1S/C42H46O23/c1-15-28(49)32(53)35(56)40(59-15)60-19-11-22(47)27-23(12-19)61-37(17-5-8-20(45)21(46)10-17)38(31(27)52)64-42-39(34(55)29(50)24(13-43)62-42)65-41-36(57)33(54)30(51)25(63-41)14-58-26(48)9-4-16-2-6-18(44)7-3-16/h2-12,15,24-25,28-30,32-36,39-47,49-51,53-57H,13-14H2,1H3/b9-4+/t15-,24+,25+,28-,29+,30+,32+,33-,34-,35+,36+,39+,40-,41-,42-/m0/s1",C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](COC(=O)/C=C/c5ccc(O)cc5)[C@@H](O)[C@H](O)[C@H]4O)c(-c4ccc(O)c(O)c4)oc3c2)[C@H](O)[C@H](O)[C@H]1O,C42H46O23,pos_1_sodium,918.242987732,JHYIWORKFFMOIP,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Aconitum napellus,586780.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum napellus'],6,3,7.5 92265,3525,189,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,GIZUXLUTUNKVHX-DYHBMNMNSA-N,"InChI=1S/C42H46O23/c1-15-28(49)38(64-41-35(56)33(54)30(51)25(63-41)14-58-26(48)9-4-16-2-6-18(44)7-3-16)36(57)42(59-15)60-19-11-22(47)27-23(12-19)61-37(17-5-8-20(45)21(46)10-17)39(31(27)52)65-40-34(55)32(53)29(50)24(13-43)62-40/h2-12,15,24-25,28-30,32-36,38,40-47,49-51,53-57H,13-14H2,1H3/b9-4+/t15-,24+,25+,28-,29+,30+,32-,33-,34+,35+,36+,38+,40-,41-,42-/m0/s1",C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(-c4ccc(O)c(O)c4)oc3c2)[C@H](O)[C@H](O[C@@H]2O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C42H46O23,pos_1_sodium,918.242987732,GIZUXLUTUNKVHX,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Aconitum burnatii,3944952.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum burnatii'],6,3,7.5 92266,3525,189,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CWTBIQKDTPTFSD-PRHOUTJLSA-N,"InChI=1S/C42H46O23/c1-15-28(49)32(53)35(56)40(59-15)60-19-11-22(47)27-23(12-19)61-37(17-4-6-18(44)7-5-17)38(31(27)52)64-42-39(34(55)29(50)24(13-43)62-42)65-41-36(57)33(54)30(51)25(63-41)14-58-26(48)9-3-16-2-8-20(45)21(46)10-16/h2-12,15,24-25,28-30,32-36,39-47,49-51,53-57H,13-14H2,1H3/b9-3+/t15-,24+,25+,28-,29+,30+,32+,33-,34-,35+,36+,39+,40-,41-,42-/m0/s1",C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](COC(=O)/C=C/c5ccc(O)c(O)c5)[C@@H](O)[C@H](O)[C@H]4O)c(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@H](O)[C@H]1O,C42H46O23,pos_1_sodium,918.242987732,CWTBIQKDTPTFSD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Aconitum napellus,586780.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum napellus'],6,3,7.5 92267,3525,189,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,YYBUGTDXSVDSBB-PKKJBDBWSA-N,"InChI=1S/C42H46O23/c1-15-28(49)32(53)35(56)40(59-15)60-19-11-22(47)27-23(12-19)61-37(17-5-8-20(45)21(46)10-17)38(31(27)52)64-42-39(65-41-36(57)33(54)29(50)24(13-43)62-41)34(55)30(51)25(63-42)14-58-26(48)9-4-16-2-6-18(44)7-3-16/h2-12,15,24-25,28-30,32-36,39-47,49-51,53-57H,13-14H2,1H3/b9-4+/t15-,24+,25-,28+,29-,30-,32-,33+,34+,35+,36+,39-,40+,41+,42+/m1/s1",C[C@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@H](COC(=O)/C=C/c5ccc(O)cc5)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)c(-c4ccc(O)c(O)c4)oc3c2)[C@@H](O)[C@H](O)[C@H]1O,C42H46O23,pos_1_sodium,918.242987732,YYBUGTDXSVDSBB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Aconitum napellus,586780.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum napellus'],6,3,7.5 92233,3524,-1,,,,0.7104341,ISDB,XSSDYIMYZONMBL-BZNQNGANSA-N,"InChI=1S/C13H16O8/c14-5-8-9(15)10(16)11(17)13(21-8)20-7-3-1-6(2-4-7)12(18)19/h1-4,8-11,13-17H,5H2,(H,18,19)/t8-,9-,10+,11-,13-/m1/s1",O=C(O)c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,C13H16O8,,300.084517472,XSSDYIMYZONMBL,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Nandina domestica,297870.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Berberidaceae'],['Unknown'],['Nandina'],['Nandina domestica'],5,0,7.841736316680908 92214,3522,-1,,,,0.0,MS1_match,FJKROLUGYXJWQN-UHFFFAOYSA-N,"InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)",O=C(O)c1ccc(O)cc1,C7H6O3,pos_1_1proton,138.031694052,FJKROLUGYXJWQN,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Lonicera microphylla,980075.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera microphylla'],7,0,7.0 92192,3520,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IQPNAANSBPBGFQ-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IQPNAANSBPBGFQ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Clematis hexapetala,226633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis hexapetala'],8,2,9.0 92184,3519,653,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,0.0,MS1_match,HVCNSAJVIFXBHU-UHFFFAOYSA-N,"InChI=1S/C5H8O4/c6-3-4(7)1-2-5(8)9/h6H,1-3H2,(H,8,9)",O=C(O)CCC(=O)CO,C5H8O4,pos_2MH,132.042258736,HVCNSAJVIFXBHU,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Clematis delavayi,72769.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis delavayi'],8,3,9.5 92181,3517,-1,,,,0.0,MS1_match,UZSZTNKGIQMEOL-QGODIXMOSA-N,"InChI=1S/C39H60O12/c1-20(40)48-28-29-34(7)13-16-39(51-34,33(5,6)45)47-19-38(29)15-14-37-18-36(37)12-11-25(50-31-27(44)26(43)22(42)17-46-31)32(3,4)23(36)9-10-24(37)35(38,8)30(28)49-21(2)41/h22-31,42-45H,9-19H2,1-8H3/t22-,23+,24+,25+,26+,27-,28-,29-,30-,31+,34+,35-,36-,37+,38+,39+/m1/s1",CC(=O)O[C@H]1[C@@H](OC(C)=O)[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)CC[C@@]45C[C@@]35CC[C@@]23CO[C@@]2(C(C)(C)O)CC[C@](C)(O2)[C@@H]13,C39H60O12,pos_2_1proton1sodium,720.40847736,UZSZTNKGIQMEOL,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Beesia calthifolia,877310.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Beesia'],['Beesia calthifolia'],6,0,6.0 92180,3516,744,Fatty acids,Octadecanoids,Jasmonic acids,0.20791006,ISDB,,,,,,,QBINHQHKQOSSSV,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.8316402435302734 92175,3514,-1,,,,0.2920973,ISDB,QPGWFFXHPZTAJK-QHHZZUTCSA-N,"InChI=1S/C28H35NO3/c1-17-9-8-12-22-26(31)20(4)19(3)25-23(16-21-10-6-5-7-11-21)29-27(32)28(22,25)24(30)14-13-18(2)15-17/h5-8,10-14,17-19,22-23,25-26,31H,4,9,15-16H2,1-3H3,(H,29,32)/b12-8+,14-13+/t17-,18-,19+,22-,23-,25-,26+,28+/m1/s1",C=C1[C@H](C)[C@@H]2[C@@H](Cc3ccccc3)NC(=O)[C@@]23C(=O)/C=C/[C@@H](C)C[C@H](C)C/C=C/[C@@H]3[C@H]1O,C28H35NO3,,433.26169398,QPGWFFXHPZTAJK,Alkaloids,Pseudoalkaloids,Cytochalasan alkaloids,Daldinia,183725.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Xylariales'],['Xylariaceae'],['Unknown'],['Daldinia'],['Unknown'],1,0,2.1683892011642456 90196,3511,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.80421656,ISDB,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Eriocapitella tomentosa,5737682.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Anemone'],['Anemone tomentosa'],7,3,11.716866254806519 90057,3510,-1,,,,0.4218633,ISDB,RGTONEMDTVVDMY-GRTPNEQMSA-N,"InChI=1S/C16H22O11/c1-2-6-7(3-10(18)19)8(14(23)24)5-25-15(6)27-16-13(22)12(21)11(20)9(4-17)26-16/h2,5-7,9,11-13,15-17,20-22H,1,3-4H2,(H,18,19)(H,23,24)/t6-,7+,9-,11-,12+,13-,15+,16+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)O)[C@H]1CC(=O)O,C16H22O11,,390.1162115239998,RGTONEMDTVVDMY,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera periclymenum,811893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera periclymenum'],7,0,8.687453150749207 90058,3510,-1,,,,0.4218633,ISDB,RGTONEMDTVVDMY-CVJRUUBTSA-N,"InChI=1S/C16H22O11/c1-2-6-7(3-10(18)19)8(14(23)24)5-25-15(6)27-16-13(22)12(21)11(20)9(4-17)26-16/h2,5-7,9,11-13,15-17,20-22H,1,3-4H2,(H,18,19)(H,23,24)/t6-,7+,9+,11+,12-,13+,15+,16-/m1/s1",C=C[C@H]1[C@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)OC=C(C(=O)O)[C@H]1CC(=O)O,C16H22O11,,390.1162115239998,RGTONEMDTVVDMY,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,8.687453150749207 90059,3510,-1,,,,0.4218633,ISDB,RGTONEMDTVVDMY-UHFFFAOYSA-N,"InChI=1S/C16H22O11/c1-2-6-7(3-10(18)19)8(14(23)24)5-25-15(6)27-16-13(22)12(21)11(20)9(4-17)26-16/h2,5-7,9,11-13,15-17,20-22H,1,3-4H2,(H,18,19)(H,23,24)",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)O)C1CC(=O)O,C16H22O11,,390.116211524,RGTONEMDTVVDMY,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera,649885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Unknown'],7,0,8.687453150749207 87961,3509,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.81688005,ISDB,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euonymus alatus,601141.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus alatus'],7,3,11.767520189285278 87958,3507,595,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,VZEXGWGJXZJLPY-JVTDHSCXSA-N,"InChI=1S/C41H44O23/c42-12-24-29(51)32(54)34(56)39(60-24)58-18-10-21(47)27-23(11-18)59-35(16-4-7-19(45)20(46)9-16)36(31(27)53)63-41-38(33(55)30(52)25(13-43)61-41)64-40-37(28(50)22(48)14-57-40)62-26(49)8-3-15-1-5-17(44)6-2-15/h1-11,22,24-25,28-30,32-34,37-48,50-52,54-56H,12-14H2/b8-3+/t22-,24+,25+,28-,29-,30-,32-,33+,34+,37+,38-,39-,40-,41+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1[C@@H](O[C@H]2[C@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O[C@@H]5O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]5O)cc(O)c4c3=O)O[C@@H](CO)[C@@H](O)[C@@H]2O)OC[C@@H](O)[C@H]1O,C41H44O23,pos_1_1proton1ammonium,904.227337668,VZEXGWGJXZJLPY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus biternatus,692884.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus biternatus'],6,3,7.5 87959,3507,595,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,VZEXGWGJXZJLPY-JVTDHSCXSA-N,"InChI=1S/C41H44O23/c42-12-24-29(51)32(54)34(56)39(60-24)58-18-10-21(47)27-23(11-18)59-35(16-4-7-19(45)20(46)9-16)36(31(27)53)63-41-38(33(55)30(52)25(13-43)61-41)64-40-37(28(50)22(48)14-57-40)62-26(49)8-3-15-1-5-17(44)6-2-15/h1-11,22,24-25,28-30,32-34,37-48,50-52,54-56H,12-14H2/b8-3+/t22-,24+,25+,28-,29-,30-,32-,33+,34+,37+,38-,39-,40-,41+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1[C@@H](O[C@H]2[C@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O[C@@H]5O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]5O)cc(O)c4c3=O)O[C@@H](CO)[C@@H](O)[C@@H]2O)OC[C@@H](O)[C@H]1O,C41H44O23,pos_1_1proton1ammonium,904.227337668,VZEXGWGJXZJLPY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus pseudotrullifolius,456902.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus pseudotrullifolius'],6,3,7.5 87960,3507,595,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,VZEXGWGJXZJLPY-JVTDHSCXSA-N,"InChI=1S/C41H44O23/c42-12-24-29(51)32(54)34(56)39(60-24)58-18-10-21(47)27-23(11-18)59-35(16-4-7-19(45)20(46)9-16)36(31(27)53)63-41-38(33(55)30(52)25(13-43)61-41)64-40-37(28(50)22(48)14-57-40)62-26(49)8-3-15-1-5-17(44)6-2-15/h1-11,22,24-25,28-30,32-34,37-48,50-52,54-56H,12-14H2/b8-3+/t22-,24+,25+,28-,29-,30-,32-,33+,34+,37+,38-,39-,40-,41+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1[C@@H](O[C@H]2[C@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O[C@@H]5O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]5O)cc(O)c4c3=O)O[C@@H](CO)[C@@H](O)[C@@H]2O)OC[C@@H](O)[C@H]1O,C41H44O23,pos_1_1proton1ammonium,904.227337668,VZEXGWGJXZJLPY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus moseleyi,6132641.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus moseleyi'],6,3,7.5 87951,3504,283,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,CYIFGHJXUWZGSW-GRXCUHEDSA-N,"InChI=1S/C36H51NO11/c1-9-37-17-33(18-41-3)13-12-24(44-6)36-21-15-34(40)25(45-7)16-35(48-19(2)38,27(30(36)37)28(46-8)29(33)36)26(21)31(34)47-32(39)20-10-11-22(42-4)23(14-20)43-5/h10-11,14,21,24-31,40H,9,12-13,15-18H2,1-8H3/t21-,24+,25+,26-,27+,28+,29-,30?,31-,33+,34+,35-,36+/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@]34C1[C@H]([C@H](OC)[C@H]23)[C@@]1(OC(C)=O)C[C@H](OC)[C@@]2(O)C[C@@H]4[C@@H]1[C@H]2OC(=O)c1ccc(OC)c(OC)c1,C36H51NO11,pos_1_minus1proton2potassium,673.3462114519999,CYIFGHJXUWZGSW,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum balfourii,698586.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum balfourii'],6,3,7.5 87952,3504,283,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,CYIFGHJXUWZGSW-GRXCUHEDSA-N,"InChI=1S/C36H51NO11/c1-9-37-17-33(18-41-3)13-12-24(44-6)36-21-15-34(40)25(45-7)16-35(48-19(2)38,27(30(36)37)28(46-8)29(33)36)26(21)31(34)47-32(39)20-10-11-22(42-4)23(14-20)43-5/h10-11,14,21,24-31,40H,9,12-13,15-18H2,1-8H3/t21-,24+,25+,26-,27+,28+,29-,30?,31-,33+,34+,35-,36+/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@]34C1[C@H]([C@H](OC)[C@H]23)[C@@]1(OC(C)=O)C[C@H](OC)[C@@]2(O)C[C@@H]4[C@@H]1[C@H]2OC(=O)c1ccc(OC)c(OC)c1,C36H51NO11,pos_1_minus1proton2potassium,673.3462114519999,CYIFGHJXUWZGSW,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum lethale,6131432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum lethale'],6,3,7.5 87953,3504,283,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,CYIFGHJXUWZGSW-OENHWFPTSA-N,"InChI=1S/C36H51NO11/c1-9-37-17-33(18-41-3)13-12-24(44-6)36-21-15-34(40)25(45-7)16-35(48-19(2)38,27(30(36)37)28(46-8)29(33)36)26(21)31(34)47-32(39)20-10-11-22(42-4)23(14-20)43-5/h10-11,14,21,24-31,40H,9,12-13,15-18H2,1-8H3/t21-,24-,25-,26-,27-,28-,29+,30+,31+,33-,34+,35-,36-/m0/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]2[C@@H](OC)[C@@H]([C@@H]13)[C@]1(OC(C)=O)C[C@H](OC)[C@]2(O)C[C@H]4[C@H]1[C@H]2OC(=O)c1ccc(OC)c(OC)c1,C36H51NO11,pos_1_minus1proton2potassium,673.346211452,CYIFGHJXUWZGSW,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum ferox,1014250.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum ferox'],6,3,7.5 87954,3504,283,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,CYIFGHJXUWZGSW-GRXCUHEDSA-N,"InChI=1S/C36H51NO11/c1-9-37-17-33(18-41-3)13-12-24(44-6)36-21-15-34(40)25(45-7)16-35(48-19(2)38,27(30(36)37)28(46-8)29(33)36)26(21)31(34)47-32(39)20-10-11-22(42-4)23(14-20)43-5/h10-11,14,21,24-31,40H,9,12-13,15-18H2,1-8H3/t21-,24+,25+,26-,27+,28+,29-,30?,31-,33+,34+,35-,36+/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@]34C1[C@H]([C@H](OC)[C@H]23)[C@@]1(OC(C)=O)C[C@H](OC)[C@@]2(O)C[C@@H]4[C@@H]1[C@H]2OC(=O)c1ccc(OC)c(OC)c1,C36H51NO11,pos_1_minus1proton2potassium,673.3462114519999,CYIFGHJXUWZGSW,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum balfourii,698586.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum balfourii'],6,3,7.5 87955,3504,283,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,CYIFGHJXUWZGSW-GRXCUHEDSA-N,"InChI=1S/C36H51NO11/c1-9-37-17-33(18-41-3)13-12-24(44-6)36-21-15-34(40)25(45-7)16-35(48-19(2)38,27(30(36)37)28(46-8)29(33)36)26(21)31(34)47-32(39)20-10-11-22(42-4)23(14-20)43-5/h10-11,14,21,24-31,40H,9,12-13,15-18H2,1-8H3/t21-,24+,25+,26-,27+,28+,29-,30?,31-,33+,34+,35-,36+/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@]34C1[C@H]([C@H](OC)[C@H]23)[C@@]1(OC(C)=O)C[C@H](OC)[C@@]2(O)C[C@@H]4[C@@H]1[C@H]2OC(=O)c1ccc(OC)c(OC)c1,C36H51NO11,pos_1_minus1proton2potassium,673.3462114519999,CYIFGHJXUWZGSW,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum lethale,6131432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum lethale'],6,3,7.5 87956,3504,283,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,CYIFGHJXUWZGSW-OENHWFPTSA-N,"InChI=1S/C36H51NO11/c1-9-37-17-33(18-41-3)13-12-24(44-6)36-21-15-34(40)25(45-7)16-35(48-19(2)38,27(30(36)37)28(46-8)29(33)36)26(21)31(34)47-32(39)20-10-11-22(42-4)23(14-20)43-5/h10-11,14,21,24-31,40H,9,12-13,15-18H2,1-8H3/t21-,24-,25-,26-,27-,28-,29+,30+,31+,33-,34+,35-,36-/m0/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]2[C@@H](OC)[C@@H]([C@@H]13)[C@]1(OC(C)=O)C[C@H](OC)[C@]2(O)C[C@H]4[C@H]1[C@H]2OC(=O)c1ccc(OC)c(OC)c1,C36H51NO11,pos_1_minus1proton2potassium,673.346211452,CYIFGHJXUWZGSW,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum ferox,1014250.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum ferox'],6,3,7.5 87957,3504,283,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,DXAQZKJLRXMIFW-NNSXUSQFSA-N,"InChI=1S/C36H51NO11/c1-8-37-17-33(18-42-4)22(47-19(3)38)15-23(43-5)35-21-16-34(41)30(48-32(40)20-13-11-10-12-14-20)24(21)36(46-9-2,29(39)31(34)45-7)25(28(35)37)26(44-6)27(33)35/h10-14,21-31,39,41H,8-9,15-18H2,1-7H3/t21-,22-,23+,24-,25+,26+,27-,28-,29+,30-,31+,33+,34-,35+,36-/m1/s1",CCO[C@]12[C@H]3[C@@H](OC(=O)c4ccccc4)[C@](O)(C[C@H]3[C@@]34[C@@H](OC)C[C@@H](OC(C)=O)[C@@]5(COC)CN(CC)[C@@H]3[C@@H]1[C@H](OC)[C@H]54)[C@@H](OC)[C@@H]2O,C36H51NO11,pos_1_minus1proton2potassium,673.346211452,DXAQZKJLRXMIFW,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum polyschistum,6131475.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum polyschistum'],6,3,7.5 87950,3503,-1,,,,0.2428548,ISDB,,,,,,,DDUFGJDKIPMWMX,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.9714192152023315 87935,3502,605,,,,0.0,MS1_match,TYWXNGXVSZRXNA-NVZSGMJQSA-N,"InChI=1S/C11H16O8/c12-3-6-8(14)9(15)10(16)11(19-6)17-4-5-1-2-7(13)18-5/h1-2,5-6,8-12,14-16H,3-4H2/t5-,6+,8+,9-,10+,11+/m0/s1",O=C1C=C[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O1,C11H16O8,pos_1_sodium,276.084517472,TYWXNGXVSZRXNA,,,,Clematis ligusticifolia,964063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis ligusticifolia'],8,0,8.0 87934,3498,1236,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Simple phenolic acids,0.0,MS1_match,NEVMWOQJRSZYIC-UUANRDTJSA-N,"InChI=1S/C30H36O18/c1-39-13-5-11-6-14(40-2)25(13)47-29-23(35)21(33)19(31)17(45-29)10-44-28(38)12-7-15(41-3)26(16(8-12)42-4)48-30-24(36)22(34)20(32)18(46-30)9-43-27(11)37/h5-8,17-24,29-36H,9-10H2,1-4H3/t17-,18-,19-,20-,21+,22+,23-,24-,29+,30+/m1/s1",COc1cc2cc(OC)c1O[C@@H]1O[C@H](COC(=O)c3cc(OC)c(c(OC)c3)O[C@@H]3O[C@H](COC2=O)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]1O,C30H36O18,pos_1_1proton1ammonium,684.190164312,NEVMWOQJRSZYIC,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Clematis hexapetala,226633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis hexapetala'],8,3,9.5 87923,3496,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,JOBWUMLSLUCCJM-OHJXWDBTSA-N,"InChI=1S/C27H34O16/c1-10-4-12(29)17-13(30)5-14-11(24(17)41-10)2-3-27(37,8-39-14)9-40-26-23(36)21(34)19(32)16(43-26)7-38-25-22(35)20(33)18(31)15(6-28)42-25/h2-5,15-16,18-23,25-26,28,30-37H,6-9H2,1H3/t15-,16-,18-,19-,20+,21+,22-,23-,25-,26-,27+/m1/s1",Cc1cc(=O)c2c(O)cc3c(c2o1)C=C[C@@](O)(CO[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)CO3,C27H34O16,pos_2_2proton2acetonitrile,614.184685008,JOBWUMLSLUCCJM,Polyketides,Chromanes,Chromones,Eranthis hyemalis,756503.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Eranthis'],['Eranthis hyemalis'],6,0,6.0 87924,3496,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,JOBWUMLSLUCCJM-OHJXWDBTSA-N,"InChI=1S/C27H34O16/c1-10-4-12(29)17-13(30)5-14-11(24(17)41-10)2-3-27(37,8-39-14)9-40-26-23(36)21(34)19(32)16(43-26)7-38-25-22(35)20(33)18(31)15(6-28)42-25/h2-5,15-16,18-23,25-26,28,30-37H,6-9H2,1H3/t15-,16-,18-,19-,20+,21+,22-,23-,25-,26-,27+/m1/s1",Cc1cc(=O)c2c(O)cc3c(c2o1)C=C[C@@](O)(CO[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)CO3,C27H34O16,pos_2_2proton2acetonitrile,614.184685008,JOBWUMLSLUCCJM,Polyketides,Chromanes,Chromones,Eranthis cilicica,5922989.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Eranthis'],['Eranthis cilicica'],6,0,6.0 87925,3496,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,RTWCTRFVACGXAD-FUEGPVBASA-N,"InChI=1S/C32H44O14/c1-16(10-11-41-22-13-20-19(12-21(22)40-4)8-9-24(33)45-20)6-5-7-17(2)14-42-32-30(39)28(37)26(35)23(46-32)15-43-31-29(38)27(36)25(34)18(3)44-31/h7-10,12-13,18,23,25-32,34-39H,5-6,11,14-15H2,1-4H3/b16-10+,17-7-/t18-,23+,25-,26+,27+,28-,29+,30+,31+,32+/m0/s1",COc1cc2ccc(=O)oc2cc1OC/C=C(\C)CC/C=C(/C)CO[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C32H44O14,pos_2_2sodium,652.273106088,RTWCTRFVACGXAD,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Coptis trifolia,982768.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Coptis'],['Coptis trifolia'],6,0,6.0 87920,3495,-1,,,,0.0,MS1_match,VRYWDBDPXMHHGE-HRPPYHBASA-N,"InChI=1S/C33H40O20/c1-10-19(38)23(42)26(45)31(47-10)48-13-6-14(37)18-15(7-13)49-28(11-2-4-12(36)5-3-11)29(22(18)41)52-33-30(25(44)21(40)17(9-35)51-33)53-32-27(46)24(43)20(39)16(8-34)50-32/h2-7,10,16-17,19-21,23-27,30-40,42-46H,8-9H2,1H3/t10-,16+,17+,19-,20+,21-,23+,24-,25-,26+,27+,30+,31-,32-,33-/m0/s1",C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@H](O)[C@H]1O,C33H40O20,pos_2_1proton1sodium,756.21129368,VRYWDBDPXMHHGE,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Nigella damascena,387814.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Nigelleae'],['Nigella'],['Nigella damascena'],6,0,6.0 87921,3495,-1,,,,0.0,MS1_match,BFCXCFJUDBNEMU-QPIZCGMOSA-N,"InChI=1S/C33H40O20/c1-9-19(37)23(41)26(44)31(48-9)47-8-17-21(39)25(43)28(46)33(52-17)53-30-22(40)18-15(36)6-12(50-32-27(45)24(42)20(38)10(2)49-32)7-16(18)51-29(30)11-3-4-13(34)14(35)5-11/h3-7,9-10,17,19-21,23-28,31-39,41-46H,8H2,1-2H3/t9-,10-,17+,19-,20-,21-,23+,24+,25-,26+,27+,28+,31+,32-,33-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C33H40O20,pos_2_1proton1sodium,756.2112936800003,BFCXCFJUDBNEMU,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Aconitum anthora,14057.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum anthora'],6,0,6.0 87922,3495,-1,,,,0.0,MS1_match,BFCXCFJUDBNEMU-QPIZCGMOSA-N,"InChI=1S/C33H40O20/c1-9-19(37)23(41)26(44)31(48-9)47-8-17-21(39)25(43)28(46)33(52-17)53-30-22(40)18-15(36)6-12(50-32-27(45)24(42)20(38)10(2)49-32)7-16(18)51-29(30)11-3-4-13(34)14(35)5-11/h3-7,9-10,17,19-21,23-28,31-39,41-46H,8H2,1-2H3/t9-,10-,17+,19-,20-,21-,23+,24+,25-,26+,27+,28+,31+,32-,33-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C33H40O20,pos_2_1proton1sodium,756.2112936800003,BFCXCFJUDBNEMU,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Aconitum anthora,14057.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum anthora'],6,0,6.0 87913,3494,595,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,VZEXGWGJXZJLPY-JVTDHSCXSA-N,"InChI=1S/C41H44O23/c42-12-24-29(51)32(54)34(56)39(60-24)58-18-10-21(47)27-23(11-18)59-35(16-4-7-19(45)20(46)9-16)36(31(27)53)63-41-38(33(55)30(52)25(13-43)61-41)64-40-37(28(50)22(48)14-57-40)62-26(49)8-3-15-1-5-17(44)6-2-15/h1-11,22,24-25,28-30,32-34,37-48,50-52,54-56H,12-14H2/b8-3+/t22-,24+,25+,28-,29-,30-,32-,33+,34+,37+,38-,39-,40-,41+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1[C@@H](O[C@H]2[C@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O[C@@H]5O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]5O)cc(O)c4c3=O)O[C@@H](CO)[C@@H](O)[C@@H]2O)OC[C@@H](O)[C@H]1O,C41H44O23,pos_1_1proton,904.227337668,VZEXGWGJXZJLPY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus biternatus,692884.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus biternatus'],6,3,7.5 87914,3494,595,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,VZEXGWGJXZJLPY-JVTDHSCXSA-N,"InChI=1S/C41H44O23/c42-12-24-29(51)32(54)34(56)39(60-24)58-18-10-21(47)27-23(11-18)59-35(16-4-7-19(45)20(46)9-16)36(31(27)53)63-41-38(33(55)30(52)25(13-43)61-41)64-40-37(28(50)22(48)14-57-40)62-26(49)8-3-15-1-5-17(44)6-2-15/h1-11,22,24-25,28-30,32-34,37-48,50-52,54-56H,12-14H2/b8-3+/t22-,24+,25+,28-,29-,30-,32-,33+,34+,37+,38-,39-,40-,41+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1[C@@H](O[C@H]2[C@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O[C@@H]5O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]5O)cc(O)c4c3=O)O[C@@H](CO)[C@@H](O)[C@@H]2O)OC[C@@H](O)[C@H]1O,C41H44O23,pos_1_1proton,904.227337668,VZEXGWGJXZJLPY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus pseudotrullifolius,456902.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus pseudotrullifolius'],6,3,7.5 87915,3494,595,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,VZEXGWGJXZJLPY-JVTDHSCXSA-N,"InChI=1S/C41H44O23/c42-12-24-29(51)32(54)34(56)39(60-24)58-18-10-21(47)27-23(11-18)59-35(16-4-7-19(45)20(46)9-16)36(31(27)53)63-41-38(33(55)30(52)25(13-43)61-41)64-40-37(28(50)22(48)14-57-40)62-26(49)8-3-15-1-5-17(44)6-2-15/h1-11,22,24-25,28-30,32-34,37-48,50-52,54-56H,12-14H2/b8-3+/t22-,24+,25+,28-,29-,30-,32-,33+,34+,37+,38-,39-,40-,41+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1[C@@H](O[C@H]2[C@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O[C@@H]5O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]5O)cc(O)c4c3=O)O[C@@H](CO)[C@@H](O)[C@@H]2O)OC[C@@H](O)[C@H]1O,C41H44O23,pos_1_1proton,904.227337668,VZEXGWGJXZJLPY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus moseleyi,6132641.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus moseleyi'],6,3,7.5 87911,3488,1809,Alkaloids,Cyclic polyketides,2-pyrone derivatives,0.54316247,ISDB,KOGLPFSKEKZVCZ-WCQYABFASA-N,"InChI=1S/C15H17NO5/c1-15(2)13(18)11(17)9-12(21-15)7-5-4-6-8(20-3)10(7)16-14(9)19/h4-6,11,13,17-18H,1-3H3,(H,16,19)/t11-,13+/m0/s1",COc1cccc2c3c(c(O)nc12)[C@H](O)[C@@H](O)C(C)(C)O3,C15H17NO5,,291.110672644,KOGLPFSKEKZVCZ,Alkaloids,,,Rauia resinosa,6126588.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Rauia'],['Rauia resinosa'],4,1,6.67264986038208 87909,3484,169,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,UASMTJSLCCDICT-UHFFFAOYSA-N,"InChI=1S/C13H18O2/c1-9-3-2-4-11(13(14)15)8-12-7-10(12)6-5-9/h3,8,10,12H,2,4-7H2,1H3,(H,14,15)",CC1=CCCC(C(=O)O)=CC2CC2CC1,C13H18O2,pos_1_1proton1acetonitrile,206.130679816,UASMTJSLCCDICT,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,Valeriana dageletiana,7625130.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana dageletiana'],6,1,6.5 87910,3484,169,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,UASMTJSLCCDICT-UHFFFAOYSA-N,"InChI=1S/C13H18O2/c1-9-3-2-4-11(13(14)15)8-12-7-10(12)6-5-9/h3,8,10,12H,2,4-7H2,1H3,(H,14,15)",CC1=CCCC(C(=O)O)=CC2CC2CC1,C13H18O2,pos_1_1proton1acetonitrile,206.130679816,UASMTJSLCCDICT,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,1,6.5 87896,3482,145,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.3858026,ISDB,FQIQQNIQIRUWGC-GFCCVEGCSA-N,"InChI=1S/C15H17NO4/c1-15(2)12(18)7-10-13(19)9-6-8(17)4-5-11(9)16(3)14(10)20-15/h4-6,12,17-18H,7H2,1-3H3/t12-/m1/s1",Cn1c2c(c(=O)c3cc(O)ccc31)C[C@@H](O)C(C)(C)O2,C15H17NO4,,275.115758024,FQIQQNIQIRUWGC,Alkaloids,Anthranilic acid alkaloids,Acridone alkaloids,Balfourodendron riedelianum,974695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Balfourodendron'],['Balfourodendron riedelianum'],4,1,6.043210387229919 87862,3477,-1,,,,0.49383485,ISDB,XZFXZUSMWRAOOU-MAUKXSAKSA-N,"InChI=1S/C19H20O6/c1-24-17-9-12(16(23)6-7-20)8-14-15(10-21)18(25-19(14)17)11-2-4-13(22)5-3-11/h2-5,8-9,15,18,20-22H,6-7,10H2,1H3/t15-,18+/m0/s1",COc1cc(C(=O)CCO)cc2c1O[C@H](c1ccc(O)cc1)[C@H]2CO,C19H20O6,,344.12598835999995,XZFXZUSMWRAOOU,Shikimates and Phenylpropanoids,Lignans,Neolignans,Broussonetia papyrifera,311274.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Broussonetia'],['Broussonetia papyrifera'],4,0,5.975339412689209 87806,3475,-1,,,,0.4799906,ISDB,CRCGZPVGNSFIDX-KYJSFNMBSA-N,"InChI=1S/C18H24O3/c1-10-7-11-8-14(20)16-17(2,3)15(21)5-6-18(16,4)12(11)9-13(10)19/h7,9,14,16,19-20H,5-6,8H2,1-4H3/t14-,16-,18+/m1/s1",Cc1cc2c(cc1O)[C@]1(C)CCC(=O)C(C)(C)[C@H]1[C@H](O)C2,C18H24O3,,288.172544628,CRCGZPVGNSFIDX,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Flueggea virosa,351505.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Flueggea'],['Flueggea virosa'],4,0,5.919962406158447 87804,3472,1392,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,VJPHRAFHYZGASA-FLPVFDBPSA-N,"InChI=1S/C25H36O10/c1-7-15(4)9-22(29)35-24-23-19(18(12-32-24)11-31-16(5)26)10-20(34-21(28)8-14(2)3)25(23,30)13-33-17(6)27/h10,12,14-15,20,23-24,30H,7-9,11,13H2,1-6H3/t15-,20+,23-,24+,25-/m0/s1",CC[C@H](C)CC(=O)O[C@H]1OC=C(COC(C)=O)C2=C[C@@H](OC(=O)CC(C)C)[C@@](O)(COC(C)=O)[C@@H]21,C25H36O10,pos_1_1proton2acetonitrile,496.230847352,VJPHRAFHYZGASA,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,3,7.5 87805,3472,1392,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,GWGCPLJQSZLBJE-JEORNDINSA-N,"InChI=1S/C25H36O10/c1-7-14(4)8-20(28)35-24-21-18(9-19(33-15(5)26)25(21)12-32-25)17(11-31-24)10-30-23(29)22(13(2)3)34-16(6)27/h11,13-14,18-19,21-22,24H,7-10,12H2,1-6H3/t14-,18+,19-,21+,22+,24-,25+/m0/s1",CC[C@H](C)CC(=O)O[C@@H]1OC=C(COC(=O)[C@H](OC(C)=O)C(C)C)[C@H]2C[C@H](OC(C)=O)[C@]3(CO3)[C@@H]12,C25H36O10,pos_1_1proton2acetonitrile,496.230847352,GWGCPLJQSZLBJE,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana pulvinata,7625148.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana pulvinata'],6,3,7.5 87800,3458,-1,,,,0.0,MS1_match,GEWDNTWNSAZUDX-WQMVXFAESA-N,"InChI=1S/C13H20O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h4-5,10-11H,3,6-9H2,1-2H3/b5-4-/t10-,11-/m1/s1",CC/C=C\C[C@H]1C(=O)CC[C@@H]1CC(=O)OC,C13H20O3,pos_1_1proton1ammonium,224.1412445,GEWDNTWNSAZUDX,Fatty acids,Octadecanoids,Jasmonic acids,Tripterygium wilfordii,300831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium wilfordii'],6,0,6.0 87801,3458,-1,,,,0.0,MS1_match,FLCYLPQGSMGINE-UJWYFFHYSA-N,"InChI=1S/C26H43NO6/c1-6-15-21-23(13-28)9-8-18(32-4)25(21)16-10-14-17(31-3)11-24(29,19(16)20(14)33-5)26(15,30)22(25)27(7-2)12-23/h14-22,28-30H,6-13H2,1-5H3/t14-,15+,16-,17+,18+,19-,20+,21-,22+,23+,24-,25+,26-/m1/s1",CC[C@H]1[C@@H]2[C@@]3(CO)CC[C@H](OC)[C@@]24[C@@H]2C[C@H]5[C@H](OC)[C@@H]2[C@](O)(C[C@@H]5OC)[C@]1(O)[C@H]4N(CC)C3,C26H43NO6,pos_2_2proton1ammonium,465.3090380959999,FLCYLPQGSMGINE,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium crispulum,309502.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium crispulum'],6,0,6.0 87802,3458,-1,,,,0.0,MS1_match,FLCYLPQGSMGINE-UJWYFFHYSA-N,"InChI=1S/C26H43NO6/c1-6-15-21-23(13-28)9-8-18(32-4)25(21)16-10-14-17(31-3)11-24(29,19(16)20(14)33-5)26(15,30)22(25)27(7-2)12-23/h14-22,28-30H,6-13H2,1-5H3/t14-,15+,16-,17+,18+,19-,20+,21-,22+,23+,24-,25+,26-/m1/s1",CC[C@H]1[C@@H]2[C@@]3(CO)CC[C@H](OC)[C@@]24[C@@H]2C[C@H]5[C@H](OC)[C@@H]2[C@](O)(C[C@@H]5OC)[C@]1(O)[C@H]4N(CC)C3,C26H43NO6,pos_2_2proton1ammonium,465.3090380959999,FLCYLPQGSMGINE,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium linearilobum,7591246.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium linearilobum'],6,0,6.0 87803,3458,-1,,,,0.0,MS1_match,ORBNFGSLPINTIF-QPVXARCPSA-N,"InChI=1S/C26H43NO6/c1-7-27-12-24(13-28)9-8-17(30-3)26-15-10-14-16(29-2)11-25(33-6,18(15)20(14)31-4)19(23(26)27)21(32-5)22(24)26/h14-23,28H,7-13H2,1-6H3/t14-,15-,16+,17-,18-,19-,20-,21-,22+,23+,24-,25-,26-/m1/s1",CCN1C[C@@]2(CO)CC[C@@H](OC)[C@]34[C@@H]5C[C@H]6[C@@H](OC)[C@@H]5[C@](OC)(C[C@@H]6OC)[C@H]([C@@H](OC)[C@@H]23)[C@H]14,C26H43NO6,pos_2_2proton1ammonium,465.309038096,ORBNFGSLPINTIF,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium hohenackeri,591154.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitella'],['Aconitella hohenackeri'],6,0,6.0 87681,3456,953,Terpenoids,Fatty acyls,Fatty ethers,0.58854806,ISDB,ZHADMZSKNJUERU-BWLZIVRNSA-N,"InChI=1S/C19H30O3/c1-3-4-5-6-8-11-14-17-22-18-15-12-9-7-10-13-16-19(20)21-2/h4-5,8,11,14-15,17-18H,3,6-7,9-10,12-13,16H2,1-2H3/b5-4-,11-8-,17-14+,18-15+",CC/C=C\C/C=C\C=C\O/C=C/CCCCCCC(=O)OC,C19H30O3,,306.21949482,ZHADMZSKNJUERU,Fatty acids,Fatty acyls,Fatty ethers,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],4,3,7.85419225692749 87645,3455,199,Terpenoids,Diterpenoids,Guaiane sesquiterpenoids,0.33829197,ISDB,RSCFPLPQZJYJJX-BEBSALIASA-N,"InChI=1S/C30H40O10/c1-10-13(2)26(35)38-22-20-23(27(20,8)9)30(39-18(7)33)15(4)24(34)28-11-14(3)25(37-17(6)32)29(28,40-28)12-19(30)21(22)36-16(5)31/h12-15,20-23,25H,10-11H2,1-9H3/t13?,14?,15-,20?,21-,22-,23?,25+,28+,29+,30+/m1/s1",CCC(C)C(=O)O[C@@H]1C2C(C2(C)C)[C@@]2(OC(C)=O)C(=C[C@@]34O[C@@]3(CC(C)[C@@H]4OC(C)=O)C(=O)[C@H]2C)[C@H]1OC(C)=O,C30H40O10,,560.26214748,RSCFPLPQZJYJJX,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia royleana,734807.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia royleana'],4,2,6.35316789150238 87637,3449,228,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.2754702,ISDB,JQTRPSHLFTZYHC-SESVXGAZSA-N,"InChI=1S/C23H29NO2/c1-20(2)18(25)10-11-21(3)22(4)14(9-12-23(20,21)26)13-16-15-7-5-6-8-17(15)24-19(16)22/h5-8,14,24,26H,9-13H2,1-4H3/t14-,21+,22+,23+/m0/s1",CC1(C)C(=O)CC[C@]2(C)[C@@]3(C)c4[nH]c5ccccc5c4C[C@@H]3CC[C@@]12O,C23H29NO2,,351.21982916800005,JQTRPSHLFTZYHC,Alkaloids,Tryptophan alkaloids,Indole-Diterpenoid alkaloids (Penitrems),Akanthomyces lecanii,212411.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Hypocreales'],['Cordycipitaceae'],['Unknown'],['Lecanicillium'],['Lecanicillium lecanii'],1,0,2.1018807888031006 87636,3447,25,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.2625129,ISDB,,,,,,,KNQZTGPSZFBIBI,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.0500515699386597 87634,3443,1274,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,ATPPQNYORHPCJE-UHFFFAOYSA-N,"InChI=1S/C29H42O4/c1-16-7-11-28-14-13-27(6)26(5)10-8-19-18(3)22(31)20(30)15-25(19,4)21(26)9-12-29(27,33-24(28)32)23(28)17(16)2/h9,12,16-17,19-23,30-31H,3,7-8,10-11,13-15H2,1-2,4-6H3",C=C1C(O)C(O)CC2(C)C1CCC1(C)C2C=CC23OC(=O)C4(CCC(C)C(C)C42)CCC13C,C29H42O4,pos_1_1proton1ammonium,454.308309824,ATPPQNYORHPCJE,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Weigela subsessilis,82213.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Weigela'],['Weigela subsessilis'],6,3,7.5 87635,3443,1274,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,ATPPQNYORHPCJE-UHFFFAOYSA-N,"InChI=1S/C29H42O4/c1-16-7-11-28-14-13-27(6)26(5)10-8-19-18(3)22(31)20(30)15-25(19,4)21(26)9-12-29(27,33-24(28)32)23(28)17(16)2/h9,12,16-17,19-23,30-31H,3,7-8,10-11,13-15H2,1-2,4-6H3",C=C1C(O)C(O)CC2(C)C1CCC1(C)C2C=CC23OC(=O)C4(CCC(C)C(C)C42)CCC13C,C29H42O4,pos_1_1proton1ammonium,454.308309824,ATPPQNYORHPCJE,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Weigela subsessilis,82213.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Weigela'],['Weigela subsessilis'],6,3,7.5 87585,3440,492,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,CRZQGDNQQAALAY-UHFFFAOYSA-N,"InChI=1S/C9H10O2/c1-11-9(10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3",COC(=O)Cc1ccccc1,C9H10O2,pos_1_1proton1methanol,150.06807956,CRZQGDNQQAALAY,Shikimates and Phenylpropanoids,,,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],8,1,8.5 87583,3437,-1,,,,0.0,MS1_match,GYYLLXIKQCROMN-PBBATNOCSA-N,"InChI=1S/C42H70O14/c1-20(22-9-11-37(2,3)56-22)28-21(45)15-40(6)26-8-7-25-38(4,19-52-35-33(50)31(48)29(46)23(16-43)53-35)27(55-36-34(51)32(49)30(47)24(17-44)54-36)10-12-41(25)18-42(26,41)14-13-39(28,40)5/h20-36,43-51H,7-19H2,1-6H3/t20-,21+,22+,23-,24-,25+,26+,27+,28+,29+,30-,31+,32+,33-,34-,35-,36+,38+,39-,40+,41-,42+/m1/s1",C[C@@H]([C@H]1[C@@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@](C)(CO[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@@]45C[C@@]35CC[C@]12C)[C@@H]1CCC(C)(C)O1,C42H70O14,pos_2_1proton1sodium,798.47655692,GYYLLXIKQCROMN,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Thalictrum minus,491705.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum minus'],6,0,6.0 87584,3437,-1,,,,0.0,MS1_match,DWONHNNHWHSAHV-OWAXYDLBSA-N,"InChI=1S/C42H70O14/c1-20(2)7-8-22(45)21(3)29-23(46)15-40(6)27-10-9-26-38(4,19-53-36-34(51)32(49)30(47)24(16-43)54-36)28(56-37-35(52)33(50)31(48)25(17-44)55-37)11-12-41(26)18-42(27,41)14-13-39(29,40)5/h7,21-37,43-52H,8-19H2,1-6H3/t21-,22+,23+,24-,25-,26+,27-,28+,29+,30-,31+,32+,33+,34-,35-,36-,37+,38+,39-,40+,41-,42+/m1/s1",CC(C)=CC[C@H](O)[C@@H](C)[C@H]1[C@@H](O)C[C@@]2(C)[C@H]3CC[C@H]4[C@](C)(CO[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)CC[C@@]45C[C@@]35CC[C@]12C,C42H70O14,pos_2_1proton1sodium,798.47655692,DWONHNNHWHSAHV,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Thalictrum minus,491705.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum minus'],6,0,6.0 87571,3436,657,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,0.0,MS1_match,MCHOUIJOPUPQRU-UHFFFAOYSA-N,"InChI=1S/C13H18O3/c1-8-2-3-9-6-11(9)7-10(13(15)16)4-5-12(8)14/h7,9,11-12,14H,1-6H2,(H,15,16)",C=C1CCC2CC2C=C(C(=O)O)CCC1O,C13H18O3,pos_1_1proton1methanol,222.125594436,MCHOUIJOPUPQRU,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,Valeriana dageletiana,7625130.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana dageletiana'],6,3,7.5 87572,3436,657,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,0.0,MS1_match,MCHOUIJOPUPQRU-UHFFFAOYSA-N,"InChI=1S/C13H18O3/c1-8-2-3-9-6-11(9)7-10(13(15)16)4-5-12(8)14/h7,9,11-12,14H,1-6H2,(H,15,16)",C=C1CCC2CC2C=C(C(=O)O)CCC1O,C13H18O3,pos_1_1proton1methanol,222.125594436,MCHOUIJOPUPQRU,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,3,7.5 87549,3435,-1,,,,0.56599057,ISDB,HCDJTUMTMPSUBK-GXSJLCMTSA-N,"InChI=1S/C12H16O/c1-8-3-4-11-9(2)6-10(7-13)12(11)5-8/h5,7,9,11H,3-4,6H2,1-2H3/t9-,11+/m0/s1",CC1=CC2=C(C=O)C[C@H](C)[C@H]2CC1,C12H16O,,176.120115132,HCDJTUMTMPSUBK,Terpenoids,Sesquiterpenoids,,Artemisia baldshuanica,96263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia baldshuanica'],4,0,6.263962268829346 87521,3434,72,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.64825326,ISDB,WWUZIQQURGPMPG-KRWOKUGFSA-N,"InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h14-15,17-18,20-21H,2-13,16,19H2,1H3/b15-14+/t17-,18+/m0/s1",CCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](N)CO,C18H37NO2,,299.282429424,WWUZIQQURGPMPG,Fatty acids,Sphingolipids,Sphingoid bases,Rehmannia glutinosa,164453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Orobanchaceae'],['Unknown'],['Rehmannia'],['Rehmannia glutinosa'],4,2,7.593013048171997 87522,3434,72,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.64825326,ISDB,WWUZIQQURGPMPG-KRWOKUGFSA-N,"InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h14-15,17-18,20-21H,2-13,16,19H2,1H3/b15-14+/t17-,18+/m0/s1",CCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](N)CO,C18H37NO2,,299.282429424,WWUZIQQURGPMPG,Fatty acids,Sphingolipids,Sphingoid bases,Glycine max,681762.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Glycine max'],4,2,7.593013048171997 87523,3434,72,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.64825326,ISDB,WWUZIQQURGPMPG-KRWOKUGFSA-N,"InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h14-15,17-18,20-21H,2-13,16,19H2,1H3/b15-14+/t17-,18+/m0/s1",CCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](N)CO,C18H37NO2,,299.282429424,WWUZIQQURGPMPG,Fatty acids,Sphingolipids,Sphingoid bases,Pogostemon cablin,595162.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Pogostemoneae'],['Pogostemon'],['Pogostemon cablin'],4,2,7.593013048171997 87524,3434,72,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.64825326,ISDB,WWUZIQQURGPMPG-KRWOKUGFSA-N,"InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h14-15,17-18,20-21H,2-13,16,19H2,1H3/b15-14+/t17-,18+/m0/s1",CCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](N)CO,C18H37NO2,,299.282429424,WWUZIQQURGPMPG,Fatty acids,Sphingolipids,Sphingoid bases,Vitis vinifera,756728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Vitales'],['Vitaceae'],['Viteae'],['Vitis'],['Vitis vinifera'],4,2,7.593013048171997 87508,3428,145,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.2179691,ISDB,OTBKATNIYSZVJP-UHFFFAOYSA-N,"InChI=1S/C17H23NO5/c1-21-13-10-12(11-14(22-2)17(13)23-3)7-8-16(20)18-9-5-4-6-15(18)19/h10-11H,4-9H2,1-3H3",COc1cc(CCC(=O)N2CCCCC2=O)cc(OC)c1OC,C17H23NO5,,321.157622836,OTBKATNIYSZVJP,Alkaloids,Lysine alkaloids,,Piper swartzianum,366805.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper swartzianum'],4,1,5.371876418590546 87509,3428,145,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.2179691,ISDB,OTBKATNIYSZVJP-UHFFFAOYSA-N,"InChI=1S/C17H23NO5/c1-21-13-10-12(11-14(22-2)17(13)23-3)7-8-16(20)18-9-5-4-6-15(18)19/h10-11H,4-9H2,1-3H3",COc1cc(CCC(=O)N2CCCCC2=O)cc(OC)c1OC,C17H23NO5,,321.157622836,OTBKATNIYSZVJP,Alkaloids,Lysine alkaloids,,Piper tuberculatum,443344.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper tuberculatum'],4,1,5.371876418590546 87442,3422,1182,Terpenoids,Steroids,Estrane steroids,0.6240285,ISDB,NPAGDVCDWIYMMC-IZPLOLCNSA-N,"InChI=1S/C18H26O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,13-17,20H,2-9H2,1H3/t13-,14+,15+,16-,17-,18-/m0/s1",C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@H]43)[C@@H]1CC[C@@H]2O,C18H26O2,,274.193280072,NPAGDVCDWIYMMC,Terpenoids,Steroids,Estrane steroids,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],4,3,7.996114015579224 87441,3419,-1,,,,0.0,MS1_match,YVBAUDVGOFCUSG-UHFFFAOYSA-N,"InChI=1S/C9H14O/c1-2-3-4-6-9-7-5-8-10-9/h5,7-8H,2-4,6H2,1H3",CCCCCc1ccco1,C9H14O,pos_1_1proton,138.104465068,YVBAUDVGOFCUSG,Polyketides,Cyclic polyketides,Furans,Patrinia villosa,971855.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia villosa'],6,0,6.0 87324,3417,-1,,,,0.6767511,ISDB,STIYXYABWPDGCS-PRLTYNAASA-N,"InChI=1S/C16H24O2/c1-9-5-6-13(17)16(4)8-7-12-10(2)11(3)18-15(12)14(9)16/h5,10,12-15,17H,3,6-8H2,1-2,4H3/t10-,12+,13-,14-,15+,16+/m1/s1",C=C1O[C@H]2[C@@H](CC[C@@]3(C)[C@H](O)CC=C(C)[C@H]23)[C@@H]1C,C16H24O2,,248.177630008,STIYXYABWPDGCS,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Artemisia inculta,969157.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia inculta'],4,0,6.7070043087005615 87314,3416,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.36699483,ISDB,YYNVBNQMBDXSDX-ZVTXLDGASA-N,"InChI=1S/C25H42O12/c1-11-7-13(27)8-25(3,4)14(11)6-5-12(2)35-24-22(33)20(31)18(29)16(37-24)10-34-23-21(32)19(30)17(28)15(9-26)36-23/h7,12,14-24,26,28-33H,5-6,8-10H2,1-4H3/t12-,14+,15-,16-,17-,18-,19+,20+,21-,22-,23-,24-/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1CC[C@@H](C)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C25H42O12,,534.267626784,YYNVBNQMBDXSDX,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Ornithogalum umbellatum,12152.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Hyacinthaceae'],['Unknown'],['Ornithogalum'],['Ornithogalum umbellatum'],4,1,5.967979311943054 87297,3413,-1,,,,0.24547504,ISDB,NTWKCDCNZLHNHW-UHFFFAOYSA-N,"InChI=1S/C14H13NO3/c1-3-15-12-8-9(17-2)4-5-10(12)13(16)11-6-7-18-14(11)15/h4-8H,3H2,1-2H3",CCn1c2cc(OC)ccc2c(=O)c2ccoc21,C14H13NO3,,243.089543276,NTWKCDCNZLHNHW,Alkaloids,Anthranilic acid alkaloids,Acridone alkaloids,Ruta chalepensis,504804.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Ruta'],['Ruta chalepensis'],4,0,4.981900155544281 87194,3410,437,Terpenoids,Steroids,Cholestane steroids,0.58323973,ISDB,JCLCRSATHUBFEO-UHFFFAOYSA-N,"InChI=1S/C29H46O3/c1-7-21(19(2)3)9-8-20(4)23-10-11-24-26(23,5)14-13-25-27(6)15-12-22(30)18-28(27)16-17-29(24,25)32-31-28/h8-9,16-17,19-25,30H,7,10-15,18H2,1-6H3",CCC(C=CC(C)C1CCC2C1(C)CCC1C23C=CC2(CC(O)CCC12C)OO3)C(C)C,C29H46O3,,442.344695332,JCLCRSATHUBFEO,Terpenoids,Steroids,Cholestane steroids,Salta triflora,2507.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Polygonaceae'],['Triplarideae'],['Salta'],['Salta triflora'],4,3,7.832958936691284 87189,3408,-1,,,,0.0,MS1_match,SHHTYJYZTILDRK-UHFFFAOYSA-N,"InChI=1S/C24H34O8/c1-6-14(3)8-20(26)31-19-10-18-17(11-28-16(5)25)12-29-23(22(18)24(19)13-30-24)32-21(27)9-15(4)7-2/h10,12,14-15,19,22-23H,6-9,11,13H2,1-5H3",CCC(C)CC(=O)OC1OC=C(COC(C)=O)C2=CC(OC(=O)CC(C)CC)C3(CO3)C21,C24H34O8,pos_1_1proton,450.225368048,SHHTYJYZTILDRK,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana prionophylla,526653.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana prionophylla'],6,0,6.0 87190,3408,-1,,,,0.0,MS1_match,SHHTYJYZTILDRK-XEVSSXDUSA-N,"InChI=1S/C24H34O8/c1-6-14(3)8-20(26)31-19-10-18-17(11-28-16(5)25)12-29-23(22(18)24(19)13-30-24)32-21(27)9-15(4)7-2/h10,12,14-15,19,22-23H,6-9,11,13H2,1-5H3/t14-,15+,19+,22-,23+,24-/m1/s1",CC[C@@H](C)CC(=O)O[C@H]1C=C2C(COC(C)=O)=CO[C@@H](OC(=O)C[C@@H](C)CC)[C@@H]2[C@@]12CO2,C24H34O8,pos_1_1proton,450.225368048,SHHTYJYZTILDRK,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,0,6.0 87191,3408,-1,,,,0.0,MS1_match,SHHTYJYZTILDRK-UHFFFAOYSA-N,"InChI=1S/C24H34O8/c1-6-14(3)8-20(26)31-19-10-18-17(11-28-16(5)25)12-29-23(22(18)24(19)13-30-24)32-21(27)9-15(4)7-2/h10,12,14-15,19,22-23H,6-9,11,13H2,1-5H3",CCC(C)CC(=O)OC1OC=C(COC(C)=O)C2=CC(OC(=O)CC(C)CC)C3(CO3)C21,C24H34O8,pos_1_1proton,450.225368048,SHHTYJYZTILDRK,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana capensis,135852.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana capensis'],6,0,6.0 87149,3407,-1,,,,0.46665388,ISDB,KGKIGWBYVVWXME-LLVKDONJSA-N,"InChI=1S/C12H22O4/c1-10(13)7-5-3-2-4-6-8-11(14)9-12(15)16/h11,14H,2-9H2,1H3,(H,15,16)/t11-/m1/s1",CC(=O)CCCCCCC[C@@H](O)CC(=O)O,C12H22O4,,230.151809184,KGKIGWBYVVWXME,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Blepharizonia plumosa,1042864.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Madieae'],['Blepharizonia'],['Blepharizonia plumosa'],4,0,5.866615533828735 87143,3406,30,Alkaloids,Tyrosine alkaloids,Cinnamic acid amides,0.29680666,ISDB,RZZOZECFGLWGQV-UHFFFAOYSA-N,"InChI=1S/C16H17NO3/c1-20-13-8-6-12(7-9-13)10-11-17-16(19)14-4-2-3-5-15(14)18/h2-9,18H,10-11H2,1H3,(H,17,19)",COc1ccc(CCNC(=O)c2ccccc2O)cc1,C16H17NO3,,271.120843404,RZZOZECFGLWGQV,Amino acids and Peptides,Phenylpropanoids (C6-C3),Cinnamic acid amides,Aniba riparia,6025354.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Aniba'],['Aniba riparia'],4,3,6.68722665309906 87103,3405,-1,,,,0.0,MS1_match,QJPCKAJTLHDNCS-KQDSFGJDSA-N,"InChI=1S/C23H34O5/c1-20-7-3-15(24)12-22(20,26)9-5-18-17(20)4-8-21(2)16(6-10-23(18,21)27)14-11-19(25)28-13-14/h11,15-18,24,26-27H,3-10,12-13H2,1-2H3/t15-,16-,17+,18-,20-,21-,22+,23+/m1/s1",C[C@]12CC[C@@H](O)C[C@@]1(O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O,C23H34O5,pos_1_sodium,390.240624188,QJPCKAJTLHDNCS,Terpenoids,Steroids,Cardenolides,Adonis aestivalis,585229.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Adonideae'],['Adonis'],['Adonis aestivalis'],6,0,6.0 87104,3405,-1,,,,0.0,MS1_match,QJPCKAJTLHDNCS-KQDSFGJDSA-N,"InChI=1S/C23H34O5/c1-20-7-3-15(24)12-22(20,26)9-5-18-17(20)4-8-21(2)16(6-10-23(18,21)27)14-11-19(25)28-13-14/h11,15-18,24,26-27H,3-10,12-13H2,1-2H3/t15-,16-,17+,18-,20-,21-,22+,23+/m1/s1",C[C@]12CC[C@@H](O)C[C@@]1(O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O,C23H34O5,pos_1_sodium,390.240624188,QJPCKAJTLHDNCS,Terpenoids,Steroids,Cardenolides,Adonis vernalis,693556.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Adonideae'],['Adonis'],['Adonis vernalis'],6,0,6.0 87105,3405,-1,,,,0.0,MS1_match,QJPCKAJTLHDNCS-KQDSFGJDSA-N,"InChI=1S/C23H34O5/c1-20-7-3-15(24)12-22(20,26)9-5-18-17(20)4-8-21(2)16(6-10-23(18,21)27)14-11-19(25)28-13-14/h11,15-18,24,26-27H,3-10,12-13H2,1-2H3/t15-,16-,17+,18-,20-,21-,22+,23+/m1/s1",C[C@]12CC[C@@H](O)C[C@@]1(O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O,C23H34O5,pos_1_sodium,390.240624188,QJPCKAJTLHDNCS,Terpenoids,Steroids,Cardenolides,Adonis aestivalis,585229.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Adonideae'],['Adonis'],['Adonis aestivalis'],6,0,6.0 87106,3405,-1,,,,0.0,MS1_match,QJPCKAJTLHDNCS-KQDSFGJDSA-N,"InChI=1S/C23H34O5/c1-20-7-3-15(24)12-22(20,26)9-5-18-17(20)4-8-21(2)16(6-10-23(18,21)27)14-11-19(25)28-13-14/h11,15-18,24,26-27H,3-10,12-13H2,1-2H3/t15-,16-,17+,18-,20-,21-,22+,23+/m1/s1",C[C@]12CC[C@@H](O)C[C@@]1(O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O,C23H34O5,pos_1_sodium,390.240624188,QJPCKAJTLHDNCS,Terpenoids,Steroids,Cardenolides,Adonis vernalis,693556.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Adonideae'],['Adonis'],['Adonis vernalis'],6,0,6.0 87043,3404,167,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.8445866,ISDB,VNCWZYPKAQUABQ-XMMPIXPASA-N,"InChI=1S/C30H20O10/c31-16-8-20(34)29-22(36)12-24(39-27(29)10-16)14-1-4-18(5-2-14)38-26-7-15(3-6-19(26)33)25-13-23(37)30-21(35)9-17(32)11-28(30)40-25/h1-11,13,24,31-35H,12H2/t24-/m1/s1",O=C1C[C@H](c2ccc(Oc3cc(-c4cc(=O)c5c(O)cc(O)cc5o4)ccc3O)cc2)Oc2cc(O)cc(O)c21,C30H20O10,,540.10564684,VNCWZYPKAQUABQ,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Luxemburgia nobilis,6102988.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Ochnaceae'],['Unknown'],['Luxemburgia'],['Luxemburgia nobilis'],4,3,8.87834644317627 87044,3404,167,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.8445866,ISDB,VNCWZYPKAQUABQ-XMMPIXPASA-N,"InChI=1S/C30H20O10/c31-16-8-20(34)29-22(36)12-24(39-27(29)10-16)14-1-4-18(5-2-14)38-26-7-15(3-6-19(26)33)25-13-23(37)30-21(35)9-17(32)11-28(30)40-25/h1-11,13,24,31-35H,12H2/t24-/m1/s1",O=C1C[C@H](c2ccc(Oc3cc(-c4cc(=O)c5c(O)cc(O)cc5o4)ccc3O)cc2)Oc2cc(O)cc(O)c21,C30H20O10,,540.10564684,VNCWZYPKAQUABQ,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Quintinia acutifolia,5264187.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Paracryphiales'],['Paracryphiaceae'],['Unknown'],['Quintinia'],['Quintinia acutifolia'],4,3,8.87834644317627 87045,3404,167,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.8445866,ISDB,VNCWZYPKAQUABQ-XMMPIXPASA-N,"InChI=1S/C30H20O10/c31-16-8-20(34)29-22(36)12-24(39-27(29)10-16)14-1-4-18(5-2-14)38-26-7-15(3-6-19(26)33)25-13-23(37)30-21(35)9-17(32)11-28(30)40-25/h1-11,13,24,31-35H,12H2/t24-/m1/s1",O=C1C[C@H](c2ccc(Oc3cc(-c4cc(=O)c5c(O)cc(O)cc5o4)ccc3O)cc2)Oc2cc(O)cc(O)c21,C30H20O10,,540.10564684,VNCWZYPKAQUABQ,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Ochna integerrima,531924.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Ochnaceae'],['Unknown'],['Ochna'],['Ochna integerrima'],4,3,8.87834644317627 87028,3401,-1,,,,0.0,MS1_match,HOCKGUMMVOPFFC-RHMPUOGUSA-N,"InChI=1S/C21H34O12/c1-9(2)3-14(25)33-19-15-11(4-13(24)21(15,29)8-23)10(6-30-19)7-31-20-18(28)17(27)16(26)12(5-22)32-20/h6,9,11-13,15-20,22-24,26-29H,3-5,7-8H2,1-2H3/t11-,12-,13+,15-,16-,17+,18-,19+,20-,21-/m1/s1",CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2C[C@H](O)[C@](O)(CO)[C@@H]12,C21H34O12,pos_1_sodium,478.2050265279999,HOCKGUMMVOPFFC,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 87027,3398,-1,,,,0.0,MS1_match,WHWDWIHXSPCOKZ-UHFFFAOYSA-N,"InChI=1S/C18H36O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h15-17H,6-14H2,1-5H3",CC(=O)CCCC(C)CCCC(C)CCCC(C)C,C18H36O,pos_1_1proton2acetonitrile,268.276615772,WHWDWIHXSPCOKZ,Terpenoids,Diterpenoids,Phytane diterpenoids,Morina persica,326553.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Morina'],['Morina persica'],6,0,6.0 87026,3397,-1,,,,0.0,MS1_match,KAYJMBNCFOBTHX-UHFFFAOYSA-N,"InChI=1S/C38H40N2O6/c1-39-16-14-23-19-33(42-3)31(41)21-27(23)29(39)18-22-10-12-24(13-11-22)46-32-9-7-8-25-28(32)20-30-34-26(15-17-40(30)2)36(43-4)38(45-6)37(44-5)35(25)34/h7-13,19-21,29,41H,14-18H2,1-6H3",COc1cc2c(cc1O)C(Cc1ccc(Oc3cccc4c3cc3c5c(c(OC)c(OC)c(OC)c54)CCN3C)cc1)N(C)CC2,C38H40N2O6,pos_2_2proton,620.288637,KAYJMBNCFOBTHX,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Thalictrum cultratum,583170.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum cultratum'],6,0,6.0 87016,3396,1473,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.632899,ISDB,OVEAWSPZRGBTSS-UHFFFAOYSA-N,"InChI=1S/C14H14N2O5/c17-12(6-13(18)19)16-11(14(20)21)5-8-7-15-10-4-2-1-3-9(8)10/h1-4,7,11,15H,5-6H2,(H,16,17)(H,18,19)(H,20,21)",O=C(O)CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O,C14H14N2O5,,290.090271548,OVEAWSPZRGBTSS,Amino acids and Peptides,Small peptides,Dipeptides,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],4,0,6.531595945358276 87017,3396,1473,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.632899,ISDB,OVEAWSPZRGBTSS-NSHDSACASA-N,"InChI=1S/C14H14N2O5/c17-12(6-13(18)19)16-11(14(20)21)5-8-7-15-10-4-2-1-3-9(8)10/h1-4,7,11,15H,5-6H2,(H,16,17)(H,18,19)(H,20,21)/t11-/m0/s1",O=C(O)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O,C14H14N2O5,,290.090271548,OVEAWSPZRGBTSS,Amino acids and Peptides,Small peptides,Dipeptides,Glycine max,681762.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Glycine max'],4,0,6.531595945358276 87015,3394,759,Alkaloids,Tyrosine alkaloids,Terpenoid alkaloids,0.0,MS1_match,AEVJPWPOSAXXKK-WCIOBWGISA-N,"InChI=1S/C20H25NO2/c1-9-10-6-11-16-19-5-3-4-18(2)8-21(16)12(14(18)19)7-20(11,17(9)23)15(19)13(10)22/h10-12,14-17,23H,1,3-8H2,2H3/t10-,11-,12+,14-,15+,16-,17-,18-,19+,20-/m1/s1",C=C1[C@H]2C[C@@H]3[C@H]4N5C[C@@]6(C)CCC[C@]47[C@H](C2=O)[C@]3(C[C@H]5[C@H]67)[C@@H]1O,C20H25NO2,pos_1_1proton,311.18852904,AEVJPWPOSAXXKK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum talassicum,5737809.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum talassicum'],6,3,7.5 86995,3393,832,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,0.38937995,ISDB,WOJHWCSDXFDSLY-UHFFFAOYSA-N,"InChI=1S/C14H13NO3/c1-3-17-13-9-5-4-6-11(16-2)12(9)15-14-10(13)7-8-18-14/h4-8H,3H2,1-2H3",CCOc1c2ccoc2nc2c(OC)cccc12,C14H13NO3,,243.089543276,WOJHWCSDXFDSLY,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,Dictamnus albus,568898.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Dictamnus'],['Dictamnus albus'],4,3,7.057519793510437 86955,3392,1716,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.22124879,ISDB,OHUGBIGEVDVYSF-OCCJYARASA-N,"InChI=1S/C29H46O3/c1-25(2)22-10-9-18-19(29(22,6)12-11-23(25)30)7-8-20-21-17-27(4,24(31)32)14-13-26(21,3)15-16-28(18,20)5/h8,18-19,21-23,30H,7,9-17H2,1-6H3,(H,31,32)/t18-,19+,21+,22+,23+,26-,27-,28+,29-/m1/s1",CC1(C)[C@@H](O)CC[C@]2(C)[C@H]3CC=C4[C@@H]5C[C@](C)(C(=O)O)CC[C@]5(C)CC[C@@]4(C)[C@@H]3CC[C@@H]12,C29H46O3,,442.344695332,OHUGBIGEVDVYSF,Terpenoids,Triterpenoids,Oleanane triterpenoids,Tripterygium doianum,293273.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium doianum'],6,3,8.38499516248703 86951,3390,-1,,,,0.0,MS1_match,RXGJFLXLQIECAN-BZDFKLGJSA-N,"InChI=1S/C22H34NO2/c1-15-16-4-8-21(19(15)25)9-5-17-20(2)6-3-7-22(17,18(21)12-16)14-23(13-20)10-11-24/h14,16-19,24-25H,1,3-13H2,2H3/q+1/t16-,17+,18+,19+,20-,21-,22-/m0/s1",C=C1[C@H]2CC[C@@]3(CC[C@@H]4[C@@]5(C)CCC[C@@]4(C=[N+](CCO)C5)[C@@H]3C2)[C@@H]1O,C22H34NO2+,pos_1_minus1proton2sodium,344.25840574809,RXGJFLXLQIECAN,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium favargeri,209870.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium favargeri'],6,0,6.0 86952,3390,-1,,,,0.0,MS1_match,RXGJFLXLQIECAN-BZDFKLGJSA-N,"InChI=1S/C22H34NO2/c1-15-16-4-8-21(19(15)25)9-5-17-20(2)6-3-7-22(17,18(21)12-16)14-23(13-20)10-11-24/h14,16-19,24-25H,1,3-13H2,2H3/q+1/t16-,17+,18+,19+,20-,21-,22-/m0/s1",C=C1[C@H]2CC[C@@]3(CC[C@@H]4[C@@]5(C)CCC[C@@]4(C=[N+](CCO)C5)[C@@H]3C2)[C@@H]1O,C22H34NO2+,pos_1_minus1proton2sodium,344.25840574809,RXGJFLXLQIECAN,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium peregrinum,885398.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium peregrinum'],6,0,6.0 86953,3390,-1,,,,0.0,MS1_match,RXGJFLXLQIECAN-JPMOWHAPSA-N,"InChI=1S/C22H34NO2/c1-15-16-4-8-21(19(15)25)9-5-17-20(2)6-3-7-22(17,18(21)12-16)14-23(13-20)10-11-24/h14,16-19,24-25H,1,3-13H2,2H3/q+1/t16?,17-,18-,19-,20+,21+,22+/m1/s1",C=C1C2CC[C@@]3(CC[C@@H]4[C@@]5(C)CCC[C@@]4(C=[N+](CCO)C5)[C@@H]3C2)[C@@H]1O,C22H34NO2+,pos_1_minus1proton2sodium,344.25840574809,RXGJFLXLQIECAN,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum jaluense,549539.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum jaluense'],6,0,6.0 86954,3390,-1,,,,0.0,MS1_match,RXGJFLXLQIECAN-BZDFKLGJSA-N,"InChI=1S/C22H34NO2/c1-15-16-4-8-21(19(15)25)9-5-17-20(2)6-3-7-22(17,18(21)12-16)14-23(13-20)10-11-24/h14,16-19,24-25H,1,3-13H2,2H3/q+1/t16-,17+,18+,19+,20-,21-,22-/m0/s1",C=C1[C@H]2CC[C@@]3(CC[C@@H]4[C@@]5(C)CCC[C@@]4(C=[N+](CCO)C5)[C@@H]3C2)[C@@H]1O,C22H34NO2+,pos_1_minus1proton2sodium,344.25840574809,RXGJFLXLQIECAN,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum orochryseum,6131466.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum orochryseum'],6,0,6.0 86947,3387,509,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.46091127,ISDB,APGVHKPCMRXAPJ-UHFFFAOYSA-N,"InChI=1S/C39H60O5/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27-38(40)43-29-23-26-35-31-36(41-5)39(37(32-35)42-6)44-30-28-34(4)25-22-24-33(2)3/h11-12,14-15,23-24,26,28,31-32H,7-10,13,16-22,25,27,29-30H2,1-6H3",CCCCCC=CCC=CCCCCCCCC(=O)OCC=Cc1cc(OC)c(OCC=C(C)CCC=C(C)C)c(OC)c1,C39H60O5,,608.44407502,APGVHKPCMRXAPJ,,,,Ligularia nelumbifolia,896803.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Ligularia'],['Ligularia nelumbifolia'],4,0,5.843645095825195 86946,3383,-1,,,,0.0,MS1_match,HCGUNEDCTVLVNP-HVLDEAOBSA-N,"InChI=1S/C27H38O10/c1-15(2)8-22(29)35-14-27(32)21(36-23(30)9-16(3)4)11-20-19(12-33-18(7)28)13-34-26(25(20)27)37-24(31)10-17(5)6/h10-11,13,15-16,21,25-26,32H,8-9,12,14H2,1-7H3/t21-,25+,26-,27+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)C=C(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]2(O)COC(=O)CC(C)C,C27H38O10,pos_2_2proton2acetonitrile,522.2464974159999,HCGUNEDCTVLVNP,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana sorbifolia,445623.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana sorbifolia'],6,0,6.0 86944,3382,992,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,CCTSZLOYMHLMHP-UHFFFAOYSA-N,"InChI=1S/C10H16O5/c1-10(14)7(12)2-6-5(3-11)4-15-9(13)8(6)10/h5-8,11-12,14H,2-4H2,1H3",CC1(O)C(O)CC2C(CO)COC(=O)C21,C10H16O5,pos_2MHNH3,216.099773612,CCTSZLOYMHLMHP,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,3,7.5 86904,3380,263,Terpenoids,Diterpenoids,Labdane diterpenoids,0.33302855,ISDB,MUMIKPZQGINHTM-GRUHYRDCSA-N,"InChI=1S/C25H40O5/c1-6-17(2)23(29)30-22-11-13-24(4)20(9-8-19(15-27)12-14-26)18(3)7-10-21(24)25(22,5)16-28/h6,12,20-22,26-28H,3,7-11,13-16H2,1-2,4-5H3/b17-6-,19-12-/t20-,21+,22-,24+,25-/m1/s1",C=C1CC[C@H]2[C@@](C)(CC[C@@H](OC(=O)/C(C)=C\C)[C@]2(C)CO)[C@@H]1CC/C(=C/CO)CO,C25H40O5,,420.28757438,MUMIKPZQGINHTM,Terpenoids,Diterpenoids,Labdane diterpenoids,Brickellia lemmonii,3899947.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Brickellia'],['Brickellia lemmonii'],4,3,6.832114219665527 86892,3378,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.5256623,ISDB,IVZWRQBQDVHDNG-KUIXFMFUSA-N,"InChI=1S/C20H34/c1-14-12-20-11-8-16-18(2,3)9-5-10-19(16,4)17(20)7-6-15(14)13-20/h14-17H,5-13H2,1-4H3/t14-,15+,16+,17-,19+,20+/m0/s1",C[C@H]1C[C@@]23CC[C@@H]4C(C)(C)CCC[C@@]4(C)[C@@H]2CC[C@@H]1C3,C20H34,,274.266051088,IVZWRQBQDVHDNG,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Aristolochia triangularis,603714.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Aristolochiaceae'],['Unknown'],['Aristolochia'],['Aristolochia triangularis'],4,0,6.102649211883545 86886,3373,152,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,JGXFMIJHKASCIZ-NODAHLOSSA-N,"InChI=1S/C23H24O12/c1-31-15-3-9(4-16(32-2)19(15)27)13-7-12(26)18-11(25)5-10(6-14(18)34-13)33-23-22(30)21(29)20(28)17(8-24)35-23/h3-7,17,20-25,27-30H,8H2,1-2H3/t17-,20-,21+,22-,23?/m1/s1",COc1cc(-c2cc(=O)c3c(O)cc(OC4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc(OC)c1O,C23H24O12,pos_1_1proton1ammonium,492.1267762079998,JGXFMIJHKASCIZ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 86887,3373,152,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,JGXFMIJHKASCIZ-NODAHLOSSA-N,"InChI=1S/C23H24O12/c1-31-15-3-9(4-16(32-2)19(15)27)13-7-12(26)18-11(25)5-10(6-14(18)34-13)33-23-22(30)21(29)20(28)17(8-24)35-23/h3-7,17,20-25,27-30H,8H2,1-2H3/t17-,20-,21+,22-,23?/m1/s1",COc1cc(-c2cc(=O)c3c(O)cc(OC4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc(OC)c1O,C23H24O12,pos_1_1proton1ammonium,492.1267762079998,JGXFMIJHKASCIZ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 86884,3371,408,Fatty acids,Tryptophan alkaloids,Quinoline alkaloids,0.0,MS1_match,MNWFXJYAOYHMED-UHFFFAOYSA-N,"InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)",CCCCCCC(=O)O,C7H14O2,pos_2MHNH3,130.099379688,MNWFXJYAOYHMED,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Staphisagria macrosperma,969162.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Staphisagria'],['Staphisagria macrosperma'],6,1,6.5 86885,3371,408,Fatty acids,Tryptophan alkaloids,Quinoline alkaloids,0.0,MS1_match,MNWFXJYAOYHMED-UHFFFAOYSA-N,"InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)",CCCCCCC(=O)O,C7H14O2,pos_2MHNH3,130.099379688,MNWFXJYAOYHMED,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Delphinium staphisagria,969162.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Staphisagria'],['Staphisagria macrosperma'],6,1,6.5 86811,3366,173,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.31864962,ISDB,UBQCFEASTTXIKB-UHFFFAOYSA-N,"InChI=1S/C27H28N2O4/c1-20(30)28-24(17-21-11-5-2-6-12-21)19-33-27(32)25(18-22-13-7-3-8-14-22)29-26(31)23-15-9-4-10-16-23/h2-16,24-25H,17-19H2,1H3,(H,28,30)(H,29,31)",CC(=O)NC(COC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1)Cc1ccccc1,C27H28N2O4,,444.204907376,UBQCFEASTTXIKB,Amino acids and Peptides,Small peptides,Dipeptides,Patrinia scabra,68239.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia scabra'],6,0,7.274598479270935 86808,3361,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.34507185,ISDB,QWUZNYCFLGLOKN-UHFFFAOYSA-N,"InChI=1S/C29H58O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-28(30)26-24-27-29(31)32/h28,30H,2-27H2,1H3,(H,31,32)",CCCCCCCCCCCCCCCCCCCCCCCCC(O)CCCC(=O)O,C29H58O3,,454.438595716,QWUZNYCFLGLOKN,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Cerinthe minor,98424.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Cerinthe'],['Cerinthe minor'],4,2,6.380287408828735 86795,3358,7,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.0,MS1_match,PRCDDNKVZQBPNG-YBWZTWLNSA-N,"InChI=1S/C18H30O3/c1-11-9-14(20-12(2)19)15-17(11,5)10-13-7-8-18(15,6)21-16(13,3)4/h11,13-15H,7-10H2,1-6H3/t11-,13-,14-,15-,17-,18+/m1/s1",CC(=O)O[C@@H]1C[C@@H](C)[C@@]2(C)C[C@H]3CC[C@](C)(OC3(C)C)[C@H]12,C18H30O3,pos_1_1proton1methanol,294.21949482,PRCDDNKVZQBPNG,Terpenoids,Sesquiterpenoids,,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,1,6.5 86751,3357,222,Terpenoids,Sesquiterpenoids,Other Octadecanoids,0.4230985,ISDB,WTLVYAWQAPUBFY-UTLPMFLDSA-N,"InChI=1S/C18H28O4/c1-2-3-4-6-11-16(19)13-9-10-14-17(20)12-7-5-8-15-18(21)22/h9-10,13-14H,2-8,11-12,15H2,1H3,(H,21,22)/b13-9+,14-10+",CCCCCCC(=O)/C=C/C=C/C(=O)CCCCCC(=O)O,C18H28O4,,308.198759376,WTLVYAWQAPUBFY,Fatty acids,Octadecanoids,Other Octadecanoids,Ostodes paniculata,1028448.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Codiaeae'],['Ostodes'],['Ostodes paniculata'],4,3,7.192394018173218 86743,3355,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.39258587,ISDB,,,,,,,OELDKSOVLPNCTH,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.5703434944152832 86737,3351,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.0,MS1_match,SZQQHKQCCBDXCG-UHFFFAOYSA-N,"InChI=1S/C16H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h10-15H,2-9H2,1H3,(H,17,18)",CCCCCCCCCC=CC=CC=CC(=O)O,C16H26O2,pos_1_1proton1acetonitrile,250.193280072,SZQQHKQCCBDXCG,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Ranunculus glacialis,225728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus glacialis'],6,0,6.0 86734,3347,-1,,,,0.3125636,ISDB,,,,,,,SJOVPRHUFSKVFO,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.2502543926239014 86713,3344,362,Terpenoids,Monoterpenoids,Camphane monoterpenoids,0.28237966,ISDB,BVEVSYQMQABMQM-UHFFFAOYSA-N,"InChI=1S/C21H36O11/c1-19(2)9-4-12(20(19,3)5-10(9)23)32-17-15(26)14(25)13(24)11(31-17)6-29-18-16(27)21(28,7-22)8-30-18/h9-18,22-28H,4-8H2,1-3H3",CC1(C)C2CC(OC3OC(COC4OCC(O)(CO)C4O)C(O)C(O)C3O)C1(C)CC2O,C21H36O11,,464.225761972,BVEVSYQMQABMQM,Terpenoids,Monoterpenoids,Camphane monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,3,8.629518628120422 86712,3340,1404,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,CKMFMNKEBARFNU-OFNKIYASSA-N,"InChI=1S/C23H27N3O3/c27-21-15-20(17-7-2-1-3-8-17)24-13-11-23(29)16-26(14-6-12-25-21)22(28)18-9-4-5-10-19(18)23/h1-5,7-10,20,24,29H,6,11-16H2,(H,25,27)/t20-,23+/m1/s1",O=C1C[C@H](c2ccccc2)NCC[C@]2(O)CN(CCCN1)C(=O)c1ccccc12,C23H27N3O3,pos_1_1potassium,393.205241724,CKMFMNKEBARFNU,,,,Gymnosporia mossambicensis,617157.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Gymnosporia'],['Gymnosporia mossambicensis'],6,0,6.0 86708,3339,-1,,,,0.0,MS1_match,JGXFMIJHKASCIZ-LDBVRRDLSA-N,"InChI=1S/C23H24O12/c1-31-15-3-9(4-16(32-2)19(15)27)13-7-12(26)18-11(25)5-10(6-14(18)34-13)33-23-22(30)21(29)20(28)17(8-24)35-23/h3-7,17,20-25,27-30H,8H2,1-2H3/t17-,20-,21+,22-,23-/m1/s1",COc1cc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc(OC)c1O,C23H24O12,pos_1_1proton1acetonitrile,492.1267762079998,JGXFMIJHKASCIZ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Ranunculus sieboldii,685187.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus sieboldii'],6,0,6.0 86709,3339,-1,,,,0.0,MS1_match,JGXFMIJHKASCIZ-LQLJJDJVSA-N,"InChI=1S/C23H24O12/c1-31-15-3-9(4-16(32-2)19(15)27)13-7-12(26)18-11(25)5-10(6-14(18)34-13)33-23-22(30)21(29)20(28)17(8-24)35-23/h3-7,17,20-25,27-30H,8H2,1-2H3/t17-,20+,21-,22+,23+/m0/s1",COc1cc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc(OC)c1O,C23H24O12,pos_1_1proton1acetonitrile,492.126776208,JGXFMIJHKASCIZ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Ranunculus japonicus,140131.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus japonicus'],6,0,6.0 86710,3339,-1,,,,0.0,MS1_match,JGXFMIJHKASCIZ-LDBVRRDLSA-N,"InChI=1S/C23H24O12/c1-31-15-3-9(4-16(32-2)19(15)27)13-7-12(26)18-11(25)5-10(6-14(18)34-13)33-23-22(30)21(29)20(28)17(8-24)35-23/h3-7,17,20-25,27-30H,8H2,1-2H3/t17-,20-,21+,22-,23-/m1/s1",COc1cc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc(OC)c1O,C23H24O12,pos_1_1proton1acetonitrile,492.1267762079998,JGXFMIJHKASCIZ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Ranunculus sieboldii,685187.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus sieboldii'],6,0,6.0 86711,3339,-1,,,,0.0,MS1_match,JGXFMIJHKASCIZ-LQLJJDJVSA-N,"InChI=1S/C23H24O12/c1-31-15-3-9(4-16(32-2)19(15)27)13-7-12(26)18-11(25)5-10(6-14(18)34-13)33-23-22(30)21(29)20(28)17(8-24)35-23/h3-7,17,20-25,27-30H,8H2,1-2H3/t17-,20+,21-,22+,23+/m0/s1",COc1cc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc(OC)c1O,C23H24O12,pos_1_1proton1acetonitrile,492.126776208,JGXFMIJHKASCIZ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Ranunculus japonicus,140131.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus japonicus'],6,0,6.0 86681,3337,-1,,,,0.45582578,ISDB,IMODSZKINLUSBQ-QXGRHDLQSA-N,"InChI=1S/C26H30O11/c1-33-18-10-14(5-6-17(18)29)24-16(12-35-26-23(32)22(31)21(30)20(11-28)36-26)15-8-13(4-3-7-27)9-19(34-2)25(15)37-24/h3-10,16,20-24,26,28-32H,11-12H2,1-2H3/b4-3+/t16-,20+,21+,22-,23+,24+,26+/m0/s1",COc1cc([C@H]2Oc3c(OC)cc(/C=C/C=O)cc3[C@@H]2CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C26H30O11,,518.17881178,IMODSZKINLUSBQ,Shikimates and Phenylpropanoids,Lignans,Neolignans,Pluchea indica,446140.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Pluchea'],['Pluchea indica'],4,0,5.8233031034469604 86682,3337,-1,,,,0.45582578,ISDB,IMODSZKINLUSBQ-AQRJENMISA-N,"InChI=1S/C26H30O11/c1-33-18-10-14(5-6-17(18)29)24-16(12-35-26-23(32)22(31)21(30)20(11-28)36-26)15-8-13(4-3-7-27)9-19(34-2)25(15)37-24/h3-10,16,20-24,26,28-32H,11-12H2,1-2H3/b4-3+/t16-,20-,21-,22+,23-,24+,26-/m1/s1",COc1cc([C@@H]2Oc3c(OC)cc(/C=C/C=O)cc3[C@H]2CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C26H30O11,,518.17881178,IMODSZKINLUSBQ,Shikimates and Phenylpropanoids,Lignans,Neolignans,Pedicularis torta,36252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Orobanchaceae'],['Pedicularideae'],['Pedicularis'],['Pedicularis torta'],4,0,5.8233031034469604 86598,3336,582,Terpenoids,Diterpenoids,Estrane steroids,0.7518215,ISDB,SDJMNNDDHQWWJH-UXCAXZQLSA-N,"InChI=1S/C18H26O3/c1-16-6-5-14(20)8-12(16)4-7-17-9-13(2-3-15(16)17)18(21,10-17)11-19/h5-6,12-13,15,19,21H,2-4,7-11H2,1H3/t12-,13-,15+,16-,17+,18+/m1/s1",C[C@@]12C=CC(=O)C[C@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@@](O)(CO)C3,C18H26O3,,290.188194692,SDJMNNDDHQWWJH,Terpenoids,Diterpenoids,Norkaurane diterpenoids,Diplospora dubia,729058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Coffeeae'],['Diplospora'],['Diplospora dubia'],4,2,8.007286071777344 86597,3334,-1,,,,0.0,MS1_match,HDDLVZWGOPWKFW-UHFFFAOYSA-N,"InChI=1S/C9H14O7/c1-14-6(10)4-9(13,8(12)16-3)5-7(11)15-2/h13H,4-5H2,1-3H3",COC(=O)CC(O)(CC(=O)OC)C(=O)OC,C9H14O7,pos_1_1proton1dmso,234.073952788,HDDLVZWGOPWKFW,Fatty acids,Fatty esters,Wax monoesters,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],7,0,7.0 86596,3332,-1,,,,0.0,MS1_match,PTANMXMDKJWUPQ-GUXIHRGDSA-N,"InChI=1S/C26H43NO8/c1-7-27-12-22(13-31-2)9-8-16(33-4)25-19(22)20(35-6)26(30,21(25)27)24(29)11-15(32-3)14-10-23(25,28)18(24)17(14)34-5/h14-21,28-30H,7-13H2,1-6H3/t14-,15+,16+,17+,18+,19-,20+,21+,22+,23+,24-,25-,26-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]2[C@H](OC)[C@@](O)([C@@H]13)[C@@]1(O)C[C@H](OC)[C@H]2C[C@]4(O)[C@@H]1[C@H]2OC,C26H43NO8,pos_2_2proton1ammonium,497.298867336,PTANMXMDKJWUPQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium,518366.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Unknown'],6,0,6.0 86595,3327,-1,,,,0.28418332,ISDB,,,,,,,KZXDVJJOMQYNRC,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.1367332935333252 86566,3326,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.4969879,ISDB,CPFUJAKVJBYWJA-BTRWLOMLSA-N,"InChI=1S/C29H36O4/c1-17-9-10-29(25(32)33-6)14-13-27(4)22-8-7-19-18(2)24(31)21(30)16-20(19)26(22,3)11-12-28(27,5)23(29)15-17/h7-8,16,23,31H,1,9-15H2,2-6H3/t23-,26-,27+,28-,29-/m0/s1",C=C1CC[C@]2(C(=O)OC)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(O)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1,C29H36O4,,448.261359632,CPFUJAKVJBYWJA,Terpenoids,Triterpenoids,Lupane triterpenoids,Salacia kraussii,981087.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Salacia'],['Salacia kraussii'],4,0,5.987951636314392 86564,3323,447,Terpenoids,Triterpenoids,Quassinoids,0.0,MS1_match,OQQPVKBRTSQMEC-VCVHXTQBSA-N,"InChI=1S/C25H36O9/c1-6-10(2)20(29)34-17-16-12(4)18(27)25(31)22-23(5)13(11(3)7-14(26)19(23)28)8-15(33-21(17)30)24(16,22)9-32-25/h7,10,12-19,22,26-28,31H,6,8-9H2,1-5H3/t10?,12-,13+,14+,15-,16-,17-,18-,19-,22-,23-,24+,25+/m1/s1",CCC(C)C(=O)O[C@H]1C(=O)O[C@@H]2C[C@H]3C(C)=C[C@H](O)[C@@H](O)[C@]3(C)[C@H]3[C@@]4(O)OC[C@]32[C@@H]1[C@@H](C)[C@H]4O,C25H36O9,pos_1_1potassium,480.2359327319999,OQQPVKBRTSQMEC,Terpenoids,Triterpenoids,Quassinoids,Aconitum kirinense,5737821.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum kirinense'],6,3,7.5 86565,3323,447,Terpenoids,Triterpenoids,Quassinoids,0.0,MS1_match,OQQPVKBRTSQMEC-VCVHXTQBSA-N,"InChI=1S/C25H36O9/c1-6-10(2)20(29)34-17-16-12(4)18(27)25(31)22-23(5)13(11(3)7-14(26)19(23)28)8-15(33-21(17)30)24(16,22)9-32-25/h7,10,12-19,22,26-28,31H,6,8-9H2,1-5H3/t10?,12-,13+,14+,15-,16-,17-,18-,19-,22-,23-,24+,25+/m1/s1",CCC(C)C(=O)O[C@H]1C(=O)O[C@@H]2C[C@H]3C(C)=C[C@H](O)[C@@H](O)[C@]3(C)[C@H]3[C@@]4(O)OC[C@]32[C@@H]1[C@@H](C)[C@H]4O,C25H36O9,pos_1_1potassium,480.2359327319999,OQQPVKBRTSQMEC,Terpenoids,Triterpenoids,Quassinoids,Aconitum kirinense,5737821.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum kirinense'],6,3,7.5 86559,3321,-1,,,,0.0,MS1_match,RPMNUQRUHXIGHK-UHFFFAOYSA-N,"InChI=1S/C27H30O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-8,10,18,20-30,32-36H,9H2,1H3",CC1OC(OC2C(Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3)OC(CO)C(O)C2O)C(O)C(O)C1O,C27H30O14,pos_1_1potassium,578.16355564,RPMNUQRUHXIGHK,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Lonicera gracilipes,920854.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera gracilipes'],7,0,7.0 86560,3321,-1,,,,0.0,MS1_match,RPMNUQRUHXIGHK-PYXJVEIZSA-N,"InChI=1S/C27H30O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-8,10,18,20-30,32-36H,9H2,1H3/t10-,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O14,pos_1_1potassium,578.16355564,RPMNUQRUHXIGHK,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 86554,3318,-1,,,,0.0,MS1_match,QEYACURRVKYESS-UHFFFAOYSA-N,"InChI=1S/C21H24NO4/c1-22-11-10-16-17(13-19(24-3)21(26-5)20(16)25-4)18(22)12-14-6-8-15(23-2)9-7-14/h6-11,13H,12H2,1-5H3/q+1",COc1ccc(Cc2c3cc(OC)c(OC)c(OC)c3cc[n+]2C)cc1,C21H24NO4+,pos_1_minus1proton2sodium,354.16998466809,QEYACURRVKYESS,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Thalictrum minus,491705.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum minus'],6,0,6.0 86555,3318,-1,,,,0.0,MS1_match,AZGCZIGARDCCNC-UHFFFAOYSA-N,"InChI=1S/C21H24NO4/c1-22-11-10-15-13-18(24-3)20(25-4)21(26-5)19(15)17(22)12-14-6-8-16(23-2)9-7-14/h6-11,13H,12H2,1-5H3/q+1",COc1ccc(Cc2c3c(=[O+]C)c(OC)c(OC)cc-3ccn2C)cc1,C21H24NO4+,pos_1_minus1proton2sodium,354.1699846680899,AZGCZIGARDCCNC,Alkaloids,Histidine alkaloids,,Thalictrum minus,491705.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum minus'],6,0,6.0 86556,3318,-1,,,,0.0,MS1_match,KKZYXZUXNZXFFZ-HNNXBMFYSA-N,"InChI=1S/C21H24NO4/c1-22(2)6-5-12-8-18(23-3)21(24-4)20-14-10-17-16(25-11-26-17)9-13(14)7-15(22)19(12)20/h8-10,15H,5-7,11H2,1-4H3/q+1/t15-/m0/s1",COc1cc2c3c(c1OC)-c1cc4c(cc1C[C@@H]3[N+](C)(C)CC2)OCO4,C21H24NO4+,pos_1_minus1proton2sodium,354.16998466809,KKZYXZUXNZXFFZ,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Thalictrum przewalskii,782787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum przewalskii'],6,0,6.0 86557,3318,-1,,,,0.0,MS1_match,IPABSWBNWMXCHM-LBOXEOMUSA-N,"InChI=1S/C21H24NO4/c1-22-7-6-14-9-19-20(26-12-25-19)10-15(14)17(22)8-13-4-5-18(23-2)21(24-3)16(13)11-22/h4-5,9-10,17H,6-8,11-12H2,1-3H3/q+1/t17-,22?/m0/s1",COc1ccc2c(c1OC)C[N+]1(C)CCc3cc4c(cc3[C@@H]1C2)OCO4,C21H24NO4+,pos_1_minus1proton2sodium,354.16998466809,IPABSWBNWMXCHM,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Thalictrum minus,491705.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum minus'],6,0,6.0 86558,3318,-1,,,,0.0,MS1_match,IPABSWBNWMXCHM-LBOXEOMUSA-N,"InChI=1S/C21H24NO4/c1-22-7-6-14-9-19-20(26-12-25-19)10-15(14)17(22)8-13-4-5-18(23-2)21(24-3)16(13)11-22/h4-5,9-10,17H,6-8,11-12H2,1-3H3/q+1/t17-,22?/m0/s1",COc1ccc2c(c1OC)C[N+]1(C)CCc3cc4c(cc3[C@@H]1C2)OCO4,C21H24NO4+,pos_1_minus1proton2sodium,354.16998466809,IPABSWBNWMXCHM,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Thalictrum minus,491705.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum minus'],6,0,6.0 86430,3312,1086,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.29658312,ISDB,IUSBVFZKQJGVEP-SNAWJCMRSA-N,"InChI=1S/C12H14O3/c1-4-5-10-6-7-11(15-9(2)13)12(8-10)14-3/h4-8H,1-3H3/b5-4+",C/C=C/c1ccc(OC(C)=O)c(OC)c1,C12H14O3,,206.094294308,IUSBVFZKQJGVEP,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,3,8.68633246421814 86370,3309,1000,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.72241455,ISDB,ICFLIFNKWPXOAM-UHFFFAOYSA-N,"InChI=1S/C10H8O5/c1-14-7-4-6-5(9(12)10(7)13)2-3-8(11)15-6/h2-4,12-13H,1H3",COc1cc2oc(=O)ccc2c(O)c1O,C10H8O5,,208.037173356,ICFLIFNKWPXOAM,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Rhamnus disperma,6109464.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus disperma'],4,0,6.889658212661743 86371,3309,1000,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.72241455,ISDB,ICFLIFNKWPXOAM-UHFFFAOYSA-N,"InChI=1S/C10H8O5/c1-14-7-4-6-5(9(12)10(7)13)2-3-8(11)15-6/h2-4,12-13H,1H3",COc1cc2oc(=O)ccc2c(O)c1O,C10H8O5,,208.037173356,ICFLIFNKWPXOAM,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Haplophyllum obtusifolium,762592.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Haplophyllum'],['Haplophyllum obtusifolium'],4,0,6.889658212661743 86372,3309,1000,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.72241455,ISDB,ICFLIFNKWPXOAM-UHFFFAOYSA-N,"InChI=1S/C10H8O5/c1-14-7-4-6-5(9(12)10(7)13)2-3-8(11)15-6/h2-4,12-13H,1H3",COc1cc2oc(=O)ccc2c(O)c1O,C10H8O5,,208.037173356,ICFLIFNKWPXOAM,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Pelargonium reniforme,56196.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Geraniales'],['Geraniaceae'],['Unknown'],['Pelargonium'],['Pelargonium reniforme'],4,0,6.889658212661743 86369,3307,894,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,0.0,MS1_match,HILVYHXTZGYQOP-UHFFFAOYSA-N,"InChI=1S/C34H42O15/c1-16-25(43-18(3)36)27(44-19(4)37)30(47-22(7)40)33(15-42-17(2)35)29(46-21(6)39)26(48-31(41)23-13-11-10-12-14-23)24-28(45-20(5)38)34(16,33)49-32(24,8)9/h10-14,16,24-30H,15H2,1-9H3",CC(=O)OCC12C(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(C)C13OC(C)(C)C(C(OC(=O)c1ccccc1)C2OC(C)=O)C3OC(C)=O,C34H42O15,pos_2_2proton2acetonitrile,690.252370644,HILVYHXTZGYQOP,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Euonymus japonicus,180140.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus japonicus'],7,3,8.5 86312,3302,-1,,,,0.3527004,ISDB,FQFANWKSMOTSKK-UHFFFAOYSA-N,"InChI=1S/C16H26O4/c1-2-3-4-5-6-7-8-9-10-14-11-13(12-15(17)18)16(19)20-14/h2,13-14H,1,3-12H2,(H,17,18)",C=CCCCCCCCCC1CC(CC(=O)O)C(=O)O1,C16H26O4,,282.183109312,FQFANWKSMOTSKK,,,,Sextonia rubra,424385.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Sextonia'],['Sextonia rubra'],4,0,5.410801649093628 86270,3301,500,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.5240214,ISDB,HHSKNLJWHGXWPK-JNIAIEOXSA-N,"InChI=1S/C20H22O8/c21-10-13-8-4-5-9-14(13)27-20-18(24)17(23)16(22)15(28-20)11-26-19(25)12-6-2-1-3-7-12/h1-9,15-18,20-24H,10-11H2/t15-,16-,17+,18-,20-/m0/s1",O=C(OC[C@@H]1O[C@H](Oc2ccccc2CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C20H22O8,,390.131467664,HHSKNLJWHGXWPK,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],4,3,7.596085548400879 86271,3301,500,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.5240214,ISDB,HHSKNLJWHGXWPK-BFMVXSJESA-N,"InChI=1S/C20H22O8/c21-10-13-8-4-5-9-14(13)27-20-18(24)17(23)16(22)15(28-20)11-26-19(25)12-6-2-1-3-7-12/h1-9,15-18,20-24H,10-11H2/t15-,16-,17+,18-,20-/m1/s1",O=C(OC[C@H]1O[C@@H](Oc2ccccc2CO)[C@H](O)[C@@H](O)[C@@H]1O)c1ccccc1,C20H22O8,,390.13146766399984,HHSKNLJWHGXWPK,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Populus grandidentata,1035526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Salicaceae'],['Saliceae'],['Populus'],['Populus grandidentata'],4,3,7.596085548400879 86272,3301,500,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.5240214,ISDB,HHSKNLJWHGXWPK-BFMVXSJESA-N,"InChI=1S/C20H22O8/c21-10-13-8-4-5-9-14(13)27-20-18(24)17(23)16(22)15(28-20)11-26-19(25)12-6-2-1-3-7-12/h1-9,15-18,20-24H,10-11H2/t15-,16-,17+,18-,20-/m1/s1",O=C(OC[C@H]1O[C@@H](Oc2ccccc2CO)[C@H](O)[C@@H](O)[C@@H]1O)c1ccccc1,C20H22O8,,390.13146766399984,HHSKNLJWHGXWPK,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Populus alba,1030862.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Salicaceae'],['Saliceae'],['Populus'],['Populus alba'],4,3,7.596085548400879 86273,3301,500,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.5240214,ISDB,HHSKNLJWHGXWPK-BFMVXSJESA-N,"InChI=1S/C20H22O8/c21-10-13-8-4-5-9-14(13)27-20-18(24)17(23)16(22)15(28-20)11-26-19(25)12-6-2-1-3-7-12/h1-9,15-18,20-24H,10-11H2/t15-,16-,17+,18-,20-/m1/s1",O=C(OC[C@H]1O[C@@H](Oc2ccccc2CO)[C@H](O)[C@@H](O)[C@@H]1O)c1ccccc1,C20H22O8,,390.13146766399984,HHSKNLJWHGXWPK,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Populus tremula,839584.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Salicaceae'],['Saliceae'],['Populus'],['Populus tremula'],4,3,7.596085548400879 86274,3301,500,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.5240214,ISDB,HHSKNLJWHGXWPK-BFMVXSJESA-N,"InChI=1S/C20H22O8/c21-10-13-8-4-5-9-14(13)27-20-18(24)17(23)16(22)15(28-20)11-26-19(25)12-6-2-1-3-7-12/h1-9,15-18,20-24H,10-11H2/t15-,16-,17+,18-,20-/m1/s1",O=C(OC[C@H]1O[C@@H](Oc2ccccc2CO)[C@H](O)[C@@H](O)[C@@H]1O)c1ccccc1,C20H22O8,,390.13146766399984,HHSKNLJWHGXWPK,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Populus tremuloides,8858.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Salicaceae'],['Saliceae'],['Populus'],['Populus tremuloides'],4,3,7.596085548400879 86275,3301,500,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.5240214,ISDB,HHSKNLJWHGXWPK-BFMVXSJESA-N,"InChI=1S/C20H22O8/c21-10-13-8-4-5-9-14(13)27-20-18(24)17(23)16(22)15(28-20)11-26-19(25)12-6-2-1-3-7-12/h1-9,15-18,20-24H,10-11H2/t15-,16-,17+,18-,20-/m1/s1",O=C(OC[C@H]1O[C@@H](Oc2ccccc2CO)[C@H](O)[C@@H](O)[C@@H]1O)c1ccccc1,C20H22O8,,390.13146766399984,HHSKNLJWHGXWPK,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Scolopia chinensis,5763668.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Salicaceae'],['Scolopieae'],['Scolopia'],['Scolopia chinensis'],4,3,7.596085548400879 86276,3301,500,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.5240214,ISDB,HHSKNLJWHGXWPK-BFMVXSJESA-N,"InChI=1S/C20H22O8/c21-10-13-8-4-5-9-14(13)27-20-18(24)17(23)16(22)15(28-20)11-26-19(25)12-6-2-1-3-7-12/h1-9,15-18,20-24H,10-11H2/t15-,16-,17+,18-,20-/m1/s1",O=C(OC[C@H]1O[C@@H](Oc2ccccc2CO)[C@H](O)[C@@H](O)[C@@H]1O)c1ccccc1,C20H22O8,,390.13146766399984,HHSKNLJWHGXWPK,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Itoa orientalis,967598.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Salicaceae'],['Flacourtieae'],['Itoa'],['Itoa orientalis'],4,3,7.596085548400879 86253,3299,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.0,MS1_match,YHPFWEDUGHFFTA-UHFFFAOYSA-N,"InChI=1S/C24H32O4/c1-22-10-7-17(25)13-16(22)4-5-20-19(22)8-11-23(2)18(9-12-24(20,23)27)15-3-6-21(26)28-14-15/h3,6,14,16,18-20,27H,4-5,7-13H2,1-2H3",CC12CCC(=O)CC1CCC1C2CCC2(C)C(c3ccc(=O)oc3)CCC12O,C24H32O4,pos_2_2proton2acetonitrile,384.230059504,YHPFWEDUGHFFTA,Terpenoids,Steroids,Bufadienolides,Helleborus odorus,648059.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Helleboreae'],['Helleborus'],['Helleborus odorus'],6,1,6.5 86237,3295,-1,,,,0.3739272,ISDB,LAYQBSCEPAXXNJ-JVMZRJCASA-N,"InChI=1S/C18H28O9/c1-9(26-18-17(25)16(24)15(23)13(8-19)27-18)3-2-4-11-10(7-14(21)22)5-6-12(11)20/h2-3,9-11,13,15-19,23-25H,4-8H2,1H3,(H,21,22)/b3-2-/t9-,10-,11+,13-,15-,16+,17-,18-/m1/s1",C[C@H](/C=C\C[C@@H]1C(=O)CC[C@@H]1CC(=O)O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C18H28O9,,388.173332476,LAYQBSCEPAXXNJ,Fatty acids,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],4,0,5.4957088232040405 85984,3294,79,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.24354401,ISDB,SBLZVJIHPWRSQQ-HNAYVOBHSA-N,"InChI=1S/C20H24O6/c1-24-17-10-13(5-6-16(17)23)19-15(11-22)14-8-12(4-3-7-21)9-18(25-2)20(14)26-19/h5-6,8-10,15,19,21-23H,3-4,7,11H2,1-2H3/t15-,19+/m0/s1",COc1cc([C@H]2Oc3c(OC)cc(CCCO)cc3[C@@H]2CO)ccc1O,C20H24O6,,360.15728848799995,SBLZVJIHPWRSQQ,Shikimates and Phenylpropanoids,Lignans,Neolignans,Euonymus alatus,601141.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus alatus'],7,3,9.474176049232483 85983,3292,-1,,,,0.0,MS1_match,PTANMXMDKJWUPQ-GUXIHRGDSA-N,"InChI=1S/C26H43NO8/c1-7-27-12-22(13-31-2)9-8-16(33-4)25-19(22)20(35-6)26(30,21(25)27)24(29)11-15(32-3)14-10-23(25,28)18(24)17(14)34-5/h14-21,28-30H,7-13H2,1-6H3/t14-,15+,16+,17+,18+,19-,20+,21+,22+,23+,24-,25-,26-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]2[C@H](OC)[C@@](O)([C@@H]13)[C@@]1(O)C[C@H](OC)[C@H]2C[C@]4(O)[C@@H]1[C@H]2OC,C26H43NO8,pos_1_1proton1methanol,497.298867336,PTANMXMDKJWUPQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium,518366.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Unknown'],6,0,6.0 85979,3290,-1,,,,0.0,MS1_match,MYJFNJPQVVCTMB-TWUGUOIISA-N,"InChI=1S/C31H41NO10/c1-8-13(2)25(36)42-19-11-29-21-18-10-28-9-14(3)20(24(31(28,29)38)41-17(6)35)23(40-16(5)34)30(28,37)26(29)32(18)12-27(21,7)22(19)39-15(4)33/h13,18-24,26,37-38H,3,8-12H2,1-2,4-7H3/t13-,18+,19-,20+,21-,22-,23-,24-,26+,27+,28+,29-,30+,31+/m1/s1",C=C1C[C@]23C[C@H]4[C@@H]5[C@]6(C)CN4[C@@H]4[C@@]2(O)[C@H](OC(C)=O)[C@H]1[C@@H](OC(C)=O)[C@@]3(O)[C@]54C[C@@H](OC(=O)[C@H](C)CC)[C@H]6OC(C)=O,C31H41NO10,pos_1_1proton1methanol,587.273046512,MYJFNJPQVVCTMB,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium glandulosum,260818.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida glandulosa'],6,0,6.0 85980,3290,-1,,,,0.0,MS1_match,ORHDQVNYZXBIHU-DKZHOWHKSA-N,"InChI=1S/C31H41NO10/c1-16(33)42-31-18-19(39-3)20-27(15-38-2)11-8-12-28(20,22(18)32-14-27)30(37)13-29(36,25(40-4)23(31)34)24(21(30)31)41-26(35)17-9-6-5-7-10-17/h5-7,9-10,18-25,32,34,36-37H,8,11-15H2,1-4H3/t18-,19-,20+,21-,22+,23-,24+,25-,27-,28+,29+,30-,31-/m0/s1",COC[C@]12CCC[C@]34[C@H](NC1)[C@H]([C@H](OC)[C@H]23)[C@]1(OC(C)=O)[C@H]2[C@@H](OC(=O)c3ccccc3)[C@](O)(C[C@]24O)[C@@H](OC)[C@@H]1O,C31H41NO10,pos_1_1proton1methanol,587.273046512,ORHDQVNYZXBIHU,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum polyschistum,6131475.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum polyschistum'],6,0,6.0 85981,3290,-1,,,,0.0,MS1_match,AXUYMUBJXHVZEL-DBOUUHTQSA-N,"InChI=1S/C30H42O11/c1-27-8-5-19-20(30(27,38)11-7-18(27)16-2-3-22(33)39-14-16)6-10-29(37)12-17(4-9-28(19,29)15-32)40-26-25(36)24(35)23(34)21(13-31)41-26/h2-3,14-15,17-21,23-26,31,34-38H,4-13H2,1H3/t17-,18+,19-,20+,21+,23+,24-,25+,26+,27+,28-,29-,30-/m0/s1",C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]34C=O)[C@@]1(O)CC[C@@H]2c1ccc(=O)oc1,C30H42O11,pos_1_1proton1acetonitrile,578.2727121639999,AXUYMUBJXHVZEL,Terpenoids,Steroids,Bufadienolides,Helleborus orientalis,648046.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Helleboreae'],['Helleborus'],['Helleborus orientalis'],6,0,6.0 85982,3290,-1,,,,0.0,MS1_match,QRFYVPVSGUSPHI-SEIYVQFCSA-N,"InChI=1S/C30H42O11/c1-15-23(34)24(35)25(36)26(40-15)41-17-5-9-28(14-31)18-6-8-27(2)22(16-3-4-21(33)39-13-16)20(32)12-30(27,38)19(18)7-10-29(28,37)11-17/h3-4,13-15,17-20,22-26,32,34-38H,5-12H2,1-2H3/t15-,17-,18-,19+,20-,22-,23-,24+,25+,26-,27+,28-,29-,30-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@@H](c6ccc(=O)oc6)[C@@H](O)C[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O,C30H42O11,pos_1_1proton1acetonitrile,578.2727121639999,QRFYVPVSGUSPHI,Terpenoids,Steroids,Bufadienolides,Helleborus orientalis,648046.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Helleboreae'],['Helleborus'],['Helleborus orientalis'],6,0,6.0 85976,3287,73,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.30861542,ISDB,UODJOGKPOAZZHT-HIQAQFGRSA-N,"InChI=1S/C39H56O12/c1-20(40)49-26-19-48-33(30(29(26)44)50-21(2)41)51-25-18-38(9)27-12-11-22-23(17-24(42)32(45)35(22,5)6)36(27,7)15-16-37(38,8)31(25)39(10,47)28(43)13-14-34(3,4)46/h11,13-14,17,23,25-27,29-31,33,42,44,46-47H,12,15-16,18-19H2,1-10H3/b14-13+/t23-,25-,26-,27-,29+,30-,31+,33+,36+,37-,38+,39+/m1/s1",CC(=O)O[C@H]1[C@H](O[C@@H]2C[C@@]3(C)[C@@H]4CC=C5[C@@H](C=C(O)C(=O)C5(C)C)[C@]4(C)CC[C@]3(C)[C@H]2[C@@](C)(O)C(=O)/C=C/C(C)(C)O)OC[C@@H](OC(C)=O)[C@@H]1O,C39H56O12,,716.377177232,UODJOGKPOAZZHT,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Tetradium glabrifolium,164592.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Tetradium'],['Tetradium glabrifolium'],4,2,6.234461665153503 85977,3287,73,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.30861542,ISDB,UODJOGKPOAZZHT-OCCINUARSA-N,"InChI=1S/C39H56O12/c1-20(40)49-26-19-48-33(30(29(26)44)50-21(2)41)51-25-18-38(9)27-12-11-22-23(17-24(42)32(45)35(22,5)6)36(27,7)15-16-37(38,8)31(25)39(10,47)28(43)13-14-34(3,4)46/h11,13-14,17,23,25-27,29-31,33,42,44,46-47H,12,15-16,18-19H2,1-10H3/b14-13+/t23-,25-,26+,27-,29+,30-,31+,33+,36+,37-,38+,39+/m1/s1",CC(=O)O[C@H]1[C@H](O[C@@H]2C[C@@]3(C)[C@@H]4CC=C5[C@@H](C=C(O)C(=O)C5(C)C)[C@]4(C)CC[C@]3(C)[C@H]2[C@@](C)(O)C(=O)/C=C/C(C)(C)O)OC[C@H](OC(C)=O)[C@@H]1O,C39H56O12,,716.377177232,UODJOGKPOAZZHT,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Desfontainia spinosa,107904.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Bruniales'],['Columelliaceae'],['Unknown'],['Desfontainia'],['Desfontainia spinosa'],4,2,6.234461665153503 85978,3287,73,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.30861542,ISDB,UODJOGKPOAZZHT-OCCINUARSA-N,"InChI=1S/C39H56O12/c1-20(40)49-26-19-48-33(30(29(26)44)50-21(2)41)51-25-18-38(9)27-12-11-22-23(17-24(42)32(45)35(22,5)6)36(27,7)15-16-37(38,8)31(25)39(10,47)28(43)13-14-34(3,4)46/h11,13-14,17,23,25-27,29-31,33,42,44,46-47H,12,15-16,18-19H2,1-10H3/b14-13+/t23-,25-,26+,27-,29+,30-,31+,33+,36+,37-,38+,39+/m1/s1",CC(=O)O[C@H]1[C@H](O[C@@H]2C[C@@]3(C)[C@@H]4CC=C5[C@@H](C=C(O)C(=O)C5(C)C)[C@]4(C)CC[C@]3(C)[C@H]2[C@@](C)(O)C(=O)/C=C/C(C)(C)O)OC[C@H](OC(C)=O)[C@@H]1O,C39H56O12,,716.377177232,UODJOGKPOAZZHT,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Desfontainia fulgens,107904.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Bruniales'],['Columelliaceae'],['Unknown'],['Desfontainia'],['Desfontainia spinosa'],4,2,6.234461665153503 85903,3283,-1,,,,0.56019986,ISDB,WSIGIYXRBYAAKJ-VMCMIOPMSA-N,"InChI=1S/C31H46O4/c1-26(2)23(33)11-12-29(5)22-10-9-19-20-17-28(4,25(34)35-8)14-13-27(20,3)15-16-30(19,6)31(22,7)18-21(32)24(26)29/h9-10,20,23-24,33H,11-18H2,1-8H3/t20-,23-,24-,27+,28+,29+,30+,31+/m0/s1",COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC=C4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5C(=O)C[C@]43C)[C@@H]2C1,C31H46O4,,482.339609952,WSIGIYXRBYAAKJ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Glycyrrhiza triphylla,88616.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Glycyrrhiza'],['Glycyrrhiza triphylla'],4,0,6.240799427032471 85878,3281,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.0,MS1_match,PGOYMURMZNDHNS-MYPRUECHSA-N,"InChI=1S/C30H48O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O4,pos_2_2proton2acetonitrile,472.355260016,PGOYMURMZNDHNS,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis chinensis,841986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis chinensis'],8,2,9.0 85879,3281,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.0,MS1_match,PGOYMURMZNDHNS-MYPRUECHSA-N,"InChI=1S/C30H48O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O4,pos_2_2proton2acetonitrile,472.355260016,PGOYMURMZNDHNS,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis vitalba,756499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis vitalba'],8,2,9.0 85880,3281,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.0,MS1_match,PGOYMURMZNDHNS-MYPRUECHSA-N,"InChI=1S/C30H48O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O4,pos_2_2proton2acetonitrile,472.355260016,PGOYMURMZNDHNS,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis chinensis,841986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis chinensis'],8,2,9.0 85881,3281,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.0,MS1_match,PGOYMURMZNDHNS-MYPRUECHSA-N,"InChI=1S/C30H48O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O4,pos_2_2proton2acetonitrile,472.355260016,PGOYMURMZNDHNS,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis vitalba,756499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis vitalba'],8,2,9.0 85774,3279,1052,Terpenoids,Monoterpenoids,Wax monoesters,0.64078915,ISDB,BXIJYKUDHDLSQP-UHFFFAOYSA-N,"InChI=1S/C11H16O2/c1-7(2)9-6-11(13-4)8(3)5-10(9)12/h5-7,12H,1-4H3",COc1cc(C(C)C)c(O)cc1C,C11H16O2,,180.115029752,BXIJYKUDHDLSQP,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Baccharis dracunculifolia,482153.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis dracunculifolia'],4,2,7.563156604766846 85769,3278,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,HNZUNIKWNYHEJJ-FMIVXFBMSA-N,"InChI=1S/C13H22O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h7,9H,5-6,8,10H2,1-4H3/b12-9+",CC(=O)CC/C=C(\C)CCC=C(C)C,C13H22O,pos_1_1proton1methanol,194.167065324,HNZUNIKWNYHEJJ,Terpenoids,Apocarotenoids,Apocarotenoids (Ψ-),Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,1,7.5 85762,3276,-1,,,,0.0,MS1_match,JLMFDWPNHVELBS-SKYCUDPYSA-N,"InChI=1S/C31H41NO8/c1-32-14-29(15-36-2)12-11-18(37-3)31-17-13-30(35)26(40-28(34)16-9-7-6-8-10-16)19(17)20(22(33)27(30)39-5)21(25(31)32)23(38-4)24(29)31/h6-10,17-21,23-27,35H,11-15H2,1-5H3/t17-,18+,19+,20+,21?,23+,24-,25?,26-,27-,29+,30-,31?/m1/s1",COC[C@@]12CC[C@H](OC)C34C(C([C@H]5C(=O)[C@@H](OC)[C@@]6(O)C[C@@H]3[C@@H]5[C@H]6OC(=O)c3ccccc3)[C@H](OC)[C@@H]41)N(C)C2,C31H41NO8,pos_2_2proton1ammonium,555.283217272,JLMFDWPNHVELBS,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum,756111.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Unknown'],6,0,6.0 85763,3276,-1,,,,0.0,MS1_match,PPFAXCLJDSSALI-WPBQINKFSA-N,"InChI=1S/C31H41NO8/c1-5-32-15-29(16-36-2)12-11-21(37-3)31-19-14-30(35)25(40-27(34)17-9-7-6-8-10-17)22(19)18(23(33)26(30)38-4)13-20(24(29)31)39-28(31)32/h6-10,13,19-26,28,33,35H,5,11-12,14-16H2,1-4H3/t19-,20+,21+,22-,23-,24-,25-,26+,28-,29+,30-,31+/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@]34[C@@H]5C[C@@]6(O)[C@H](OC(=O)c7ccccc7)[C@@H]5C(=C[C@H](O[C@@H]13)[C@H]24)[C@@H](O)[C@@H]6OC,C31H41NO8,pos_2_2proton1ammonium,555.283217272,PPFAXCLJDSSALI,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum kusnezoffii,141633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum kusnezoffii'],6,0,6.0 85764,3276,-1,,,,0.0,MS1_match,DXECHRXVEUPWCB-ANUSZKSFSA-N,"InChI=1S/C31H44N2O8/c1-5-33-14-28(15-41-26(35)16-8-6-7-9-19(16)32)11-10-21(39-3)30-18-12-17-20(38-2)13-29(36,22(18)23(17)34)31(37,27(30)33)25(40-4)24(28)30/h6-9,17-18,20-25,27,34,36-37H,5,10-15,32H2,1-4H3/t17-,18-,20+,21-,22-,23+,24-,25+,27+,28+,29-,30+,31-/m1/s1",CCN1C[C@]2(COC(=O)c3ccccc3N)CC[C@@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C31H44N2O8,pos_2_2proton,572.309766368,DXECHRXVEUPWCB,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium dictyocarpum,6131639.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium dictyocarpum'],6,0,6.0 85765,3276,-1,,,,0.0,MS1_match,ASEIXYLDNILDGO-MVVHGWGJSA-N,"InChI=1S/C32H48O6/c1-17-12-32(25-28(6,38-25)16-35-32)37-19-13-27(5)21-9-8-20-26(3,4)22(34)10-11-30(20)15-31(21,30)14-23(36-18(2)33)29(27,7)24(17)19/h17,19-25,34H,8-16H2,1-7H3/t17-,19+,20+,21+,22+,23-,24+,25+,27+,28+,29-,30-,31+,32+/m1/s1",CC(=O)O[C@@H]1C[C@@]23C[C@@]24CC[C@H](O)C(C)(C)[C@@H]4CC[C@H]3[C@]2(C)C[C@@H]3O[C@]4(C[C@@H](C)[C@@H]3[C@@]12C)OC[C@]1(C)O[C@H]41,C32H48O6,pos_2_2sodium,528.345089256,ASEIXYLDNILDGO,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Actaea yunnanensis,512689.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea yunnanensis'],6,0,6.0 85766,3276,-1,,,,0.0,MS1_match,ASEIXYLDNILDGO-UHFFFAOYSA-N,"InChI=1S/C32H48O6/c1-17-12-32(25-28(6,38-25)16-35-32)37-19-13-27(5)21-9-8-20-26(3,4)22(34)10-11-30(20)15-31(21,30)14-23(36-18(2)33)29(27,7)24(17)19/h17,19-25,34H,8-16H2,1-7H3",CC(=O)OC1CC23CC24CCC(O)C(C)(C)C4CCC3C2(C)CC3OC4(CC(C)C3C12C)OCC1(C)OC14,C32H48O6,pos_2_2sodium,528.345089256,ASEIXYLDNILDGO,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Actaea elata,988729.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea elata'],6,0,6.0 85767,3276,-1,,,,0.0,MS1_match,ASEIXYLDNILDGO-MVVHGWGJSA-N,"InChI=1S/C32H48O6/c1-17-12-32(25-28(6,38-25)16-35-32)37-19-13-27(5)21-9-8-20-26(3,4)22(34)10-11-30(20)15-31(21,30)14-23(36-18(2)33)29(27,7)24(17)19/h17,19-25,34H,8-16H2,1-7H3/t17-,19+,20+,21+,22+,23-,24+,25+,27+,28+,29-,30-,31+,32+/m1/s1",CC(=O)O[C@@H]1C[C@@]23C[C@@]24CC[C@H](O)C(C)(C)[C@@H]4CC[C@H]3[C@]2(C)C[C@@H]3O[C@]4(C[C@@H](C)[C@@H]3[C@@]12C)OC[C@]1(C)O[C@H]41,C32H48O6,pos_2_2sodium,528.345089256,ASEIXYLDNILDGO,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Actaea cimicifuga,988720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea cimicifuga'],6,0,6.0 85768,3276,-1,,,,0.0,MS1_match,VWKXWHFAFDZMEM-VFODXRIRSA-N,"InChI=1S/C32H48O6/c1-17-15-19-24(27(5,6)36-18(2)33)38-32(37-19)23(17)28(7)13-14-31-16-30(31)12-11-22(34)26(3,4)20(30)9-10-21(31)29(28,8)25(32)35/h10,17,19-20,22-25,34-35H,9,11-16H2,1-8H3/t17-,19-,20+,22+,23-,24+,25-,28-,29-,30-,31+,32-/m1/s1",CC(=O)OC(C)(C)[C@H]1O[C@]23O[C@@H]1C[C@@H](C)[C@@H]2[C@@]1(C)CC[C@@]24C[C@@]25CC[C@H](O)C(C)(C)[C@@H]5CC=C4[C@]1(C)[C@H]3O,C32H48O6,pos_2_2sodium,528.345089256,VWKXWHFAFDZMEM,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Actaea heracleifolia,988745.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea heracleifolia'],6,0,6.0 85761,3272,-1,,,,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton1ammonium,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Scabiosa comosa,984352.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Scabiosa'],['Scabiosa comosa'],6,0,6.0 85693,3271,-1,,,,0.41131374,ISDB,HSDKTWGTSNDEBZ-UHFFFAOYSA-N,"InChI=1S/C10H10O3/c1-2-3-7-4-9-10(5-8(7)11)13-6-12-9/h2,4-5,11H,1,3,6H2",C=CCc1cc2c(cc1O)OCO2,C10H10O3,,178.06299418,HSDKTWGTSNDEBZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Illicium anisatum,1059410.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Austrobaileyales'],['Schisandraceae'],['Unknown'],['Illicium'],['Illicium anisatum'],4,0,5.645254969596863 85692,3267,-1,,,,0.0,MS1_match,YDYHOAALGZGNKR-IVTISIJFSA-N,"InChI=1S/C28H40O10/c1-8-18(6)11-25(32)37-22-12-21-20(13-34-19(7)29)14-35-27(38-24(31)10-17(4)5)26(21)28(22,33)15-36-23(30)9-16(2)3/h10,12,14,16,18,22,26-27,33H,8-9,11,13,15H2,1-7H3/t18-,22-,26+,27-,28+/m0/s1",CC[C@H](C)CC(=O)O[C@H]1C=C2C(COC(C)=O)=CO[C@@H](OC(=O)C=C(C)C)[C@@H]2[C@@]1(O)COC(=O)CC(C)C,C28H40O10,pos_1_minus1proton2sodium,536.26214748,YDYHOAALGZGNKR,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana sorbifolia,445623.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana sorbifolia'],6,0,6.0 85690,3261,-1,,,,0.0,MS1_match,FZPVNGODHKVGGJ-MUSZMPNRSA-N,"InChI=1S/C17H24O8/c1-8(2)5-12(19)24-15-13-16(20)6-11(23-10(4)18)17(13,21)7-22-14(25-15)9(16)3/h8,11,13-15,20-21H,3,5-7H2,1-2,4H3/t11-,13-,14+,15+,16-,17-/m0/s1",C=C1[C@@H]2OC[C@]3(O)[C@@H](OC(C)=O)C[C@@]1(O)[C@@H]3[C@H](OC(=O)CC(C)C)O2,C17H24O8,pos_1_1proton1ammonium,356.147117728,FZPVNGODHKVGGJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 85691,3261,-1,,,,0.0,MS1_match,PWXSALGBFFRJCR-MNMQIZOCSA-N,"InChI=1S/C17H24O8/c1-8(2)5-12(19)22-7-17-11(23-10(4)18)6-16(21)9(3)15(25-17)24-14(20)13(16)17/h8,11,13-15,20-21H,3,5-7H2,1-2,4H3/t11-,13-,14+,15-,16-,17+/m0/s1",C=C1[C@H]2O[C@@H](O)[C@@H]3[C@](COC(=O)CC(C)C)(O2)[C@@H](OC(C)=O)C[C@]13O,C17H24O8,pos_1_1proton1ammonium,356.147117728,PWXSALGBFFRJCR,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,0,6.0 85647,3258,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,ZUBPYPXGKGGDPG-CIWQMLCSSA-N,"InChI=1S/C64H104O30/c1-24-36(69)41(74)45(78)54(86-24)91-49-30(20-65)88-52(47(80)43(49)76)85-23-31-40(73)42(75)46(79)55(89-31)94-58(82)64-17-16-62(8)26(27(64)18-59(3,4)34(68)19-64)10-11-33-61(7)14-13-35(60(5,6)32(61)12-15-63(33,62)9)90-57-51(39(72)29(67)22-84-57)93-56-48(81)50(37(70)25(2)87-56)92-53-44(77)38(71)28(66)21-83-53/h10,24-25,27-57,65-81H,11-23H2,1-9H3/t24-,25-,27-,28+,29-,30+,31+,32-,33+,34+,35-,36-,37-,38+,39-,40+,41+,42-,43+,44+,45+,46+,47+,48+,49+,50+,51+,52+,53-,54-,55-,56-,57-,61-,62+,63+,64+/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@@]45CC[C@]6(C)C(=CC[C@@H]7[C@@]8(C)CC[C@H](O[C@@H]9OC[C@H](O)[C@H](O)[C@H]9O[C@@H]9O[C@@H](C)[C@H](O)[C@@H](O[C@@H]%10OC[C@@H](O)[C@@H](O)[C@H]%10O)[C@H]9O)C(C)(C)[C@@H]8CC[C@]76C)[C@@H]4CC(C)(C)[C@H](O)C5)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O,C64H104O30,pos_3_2proton1sodium,1352.661241928,ZUBPYPXGKGGDPG,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis chinensis,841986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis chinensis'],8,1,8.5 85648,3258,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,PLQZZVHULIUSEV-UHFFFAOYSA-N,"InChI=1S/C64H104O30/c1-25-36(69)41(74)45(78)54(86-25)91-49-31(20-65)88-52(47(80)43(49)76)85-23-32-40(73)42(75)46(79)55(89-32)94-58(82)64-17-15-59(3,4)19-28(64)27-9-10-34-60(5)13-12-35(61(6,24-66)33(60)11-14-63(34,8)62(27,7)16-18-64)90-57-51(39(72)30(68)22-84-57)93-56-48(81)50(37(70)26(2)87-56)92-53-44(77)38(71)29(67)21-83-53/h9,25-26,28-57,65-81H,10-24H2,1-8H3",CC1OC(OC2C(CO)OC(OCC3OC(OC(=O)C45CCC(C)(C)CC4C4=CCC6C7(C)CCC(OC8OCC(O)C(O)C8OC8OC(C)C(O)C(OC9OCC(O)C(O)C9O)C8O)C(C)(CO)C7CCC6(C)C4(C)CC5)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O,C64H104O30,pos_3_2proton1sodium,1352.661241928,PLQZZVHULIUSEV,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis chinensis,841986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis chinensis'],8,1,8.5 85649,3258,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,PLQZZVHULIUSEV-FXDKWXKUSA-N,"InChI=1S/C64H104O30/c1-25-36(69)41(74)45(78)54(86-25)91-49-31(20-65)88-52(47(80)43(49)76)85-23-32-40(73)42(75)46(79)55(89-32)94-58(82)64-17-15-59(3,4)19-28(64)27-9-10-34-60(5)13-12-35(61(6,24-66)33(60)11-14-63(34,8)62(27,7)16-18-64)90-57-51(39(72)30(68)22-84-57)93-56-48(81)50(37(70)26(2)87-56)92-53-44(77)38(71)29(67)21-83-53/h9,25-26,28-57,65-81H,10-24H2,1-8H3/t25-,26-,28-,29+,30-,31+,32+,33+,34+,35-,36-,37-,38+,39-,40+,41+,42-,43+,44+,45+,46+,47+,48+,49+,50+,51+,52+,53-,54-,55-,56-,57-,60-,61-,62+,63+,64-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C4=CC[C@@H]6[C@@]7(C)CC[C@H](O[C@@H]8OC[C@H](O)[C@H](O)[C@H]8O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O[C@@H]9OC[C@@H](O)[C@@H](O)[C@H]9O)[C@H]8O)[C@@](C)(CO)[C@@H]7CC[C@@]6(C)[C@]4(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O,C64H104O30,pos_3_2proton1sodium,1352.661241927999,PLQZZVHULIUSEV,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis tibetana,972666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tibetana'],8,1,8.5 85650,3258,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,PLQZZVHULIUSEV-FXDKWXKUSA-N,"InChI=1S/C64H104O30/c1-25-36(69)41(74)45(78)54(86-25)91-49-31(20-65)88-52(47(80)43(49)76)85-23-32-40(73)42(75)46(79)55(89-32)94-58(82)64-17-15-59(3,4)19-28(64)27-9-10-34-60(5)13-12-35(61(6,24-66)33(60)11-14-63(34,8)62(27,7)16-18-64)90-57-51(39(72)30(68)22-84-57)93-56-48(81)50(37(70)26(2)87-56)92-53-44(77)38(71)29(67)21-83-53/h9,25-26,28-57,65-81H,10-24H2,1-8H3/t25-,26-,28-,29+,30-,31+,32+,33+,34+,35-,36-,37-,38+,39-,40+,41+,42-,43+,44+,45+,46+,47+,48+,49+,50+,51+,52+,53-,54-,55-,56-,57-,60-,61-,62+,63+,64-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C4=CC[C@@H]6[C@@]7(C)CC[C@H](O[C@@H]8OC[C@H](O)[C@H](O)[C@H]8O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O[C@@H]9OC[C@@H](O)[C@@H](O)[C@H]9O)[C@H]8O)[C@@](C)(CO)[C@@H]7CC[C@@]6(C)[C@]4(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O,C64H104O30,pos_3_2proton1sodium,1352.661241927999,PLQZZVHULIUSEV,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis montana,970477.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis montana'],8,1,8.5 85651,3258,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,PLQZZVHULIUSEV-FXDKWXKUSA-N,"InChI=1S/C64H104O30/c1-25-36(69)41(74)45(78)54(86-25)91-49-31(20-65)88-52(47(80)43(49)76)85-23-32-40(73)42(75)46(79)55(89-32)94-58(82)64-17-15-59(3,4)19-28(64)27-9-10-34-60(5)13-12-35(61(6,24-66)33(60)11-14-63(34,8)62(27,7)16-18-64)90-57-51(39(72)30(68)22-84-57)93-56-48(81)50(37(70)26(2)87-56)92-53-44(77)38(71)29(67)21-83-53/h9,25-26,28-57,65-81H,10-24H2,1-8H3/t25-,26-,28-,29+,30-,31+,32+,33+,34+,35-,36-,37-,38+,39-,40+,41+,42-,43+,44+,45+,46+,47+,48+,49+,50+,51+,52+,53-,54-,55-,56-,57-,60-,61-,62+,63+,64-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C4=CC[C@@H]6[C@@]7(C)CC[C@H](O[C@@H]8OC[C@H](O)[C@H](O)[C@H]8O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O[C@@H]9OC[C@@H](O)[C@@H](O)[C@H]9O)[C@H]8O)[C@@](C)(CO)[C@@H]7CC[C@@]6(C)[C@]4(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O,C64H104O30,pos_3_2proton1sodium,1352.661241927999,PLQZZVHULIUSEV,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis,964052.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Unknown'],8,1,8.5 85652,3258,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,PLQZZVHULIUSEV-FXDKWXKUSA-N,"InChI=1S/C64H104O30/c1-25-36(69)41(74)45(78)54(86-25)91-49-31(20-65)88-52(47(80)43(49)76)85-23-32-40(73)42(75)46(79)55(89-32)94-58(82)64-17-15-59(3,4)19-28(64)27-9-10-34-60(5)13-12-35(61(6,24-66)33(60)11-14-63(34,8)62(27,7)16-18-64)90-57-51(39(72)30(68)22-84-57)93-56-48(81)50(37(70)26(2)87-56)92-53-44(77)38(71)29(67)21-83-53/h9,25-26,28-57,65-81H,10-24H2,1-8H3/t25-,26-,28-,29+,30-,31+,32+,33+,34+,35-,36-,37-,38+,39-,40+,41+,42-,43+,44+,45+,46+,47+,48+,49+,50+,51+,52+,53-,54-,55-,56-,57-,60-,61-,62+,63+,64-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C4=CC[C@@H]6[C@@]7(C)CC[C@H](O[C@@H]8OC[C@H](O)[C@H](O)[C@H]8O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O[C@@H]9OC[C@@H](O)[C@@H](O)[C@H]9O)[C@H]8O)[C@@](C)(CO)[C@@H]7CC[C@@]6(C)[C@]4(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O,C64H104O30,pos_3_2proton1sodium,1352.661241927999,PLQZZVHULIUSEV,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis vitalba,756499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis vitalba'],8,1,8.5 85653,3258,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,PLQZZVHULIUSEV-FXDKWXKUSA-N,"InChI=1S/C64H104O30/c1-25-36(69)41(74)45(78)54(86-25)91-49-31(20-65)88-52(47(80)43(49)76)85-23-32-40(73)42(75)46(79)55(89-32)94-58(82)64-17-15-59(3,4)19-28(64)27-9-10-34-60(5)13-12-35(61(6,24-66)33(60)11-14-63(34,8)62(27,7)16-18-64)90-57-51(39(72)30(68)22-84-57)93-56-48(81)50(37(70)26(2)87-56)92-53-44(77)38(71)29(67)21-83-53/h9,25-26,28-57,65-81H,10-24H2,1-8H3/t25-,26-,28-,29+,30-,31+,32+,33+,34+,35-,36-,37-,38+,39-,40+,41+,42-,43+,44+,45+,46+,47+,48+,49+,50+,51+,52+,53-,54-,55-,56-,57-,60-,61-,62+,63+,64-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C4=CC[C@@H]6[C@@]7(C)CC[C@H](O[C@@H]8OC[C@H](O)[C@H](O)[C@H]8O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O[C@@H]9OC[C@@H](O)[C@@H](O)[C@H]9O)[C@H]8O)[C@@](C)(CO)[C@@H]7CC[C@@]6(C)[C@]4(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O,C64H104O30,pos_3_2proton1sodium,1352.661241927999,PLQZZVHULIUSEV,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis vitalba,756499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis vitalba'],8,1,8.5 85654,3258,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,PLQZZVHULIUSEV-UHFFFAOYSA-N,"InChI=1S/C64H104O30/c1-25-36(69)41(74)45(78)54(86-25)91-49-31(20-65)88-52(47(80)43(49)76)85-23-32-40(73)42(75)46(79)55(89-32)94-58(82)64-17-15-59(3,4)19-28(64)27-9-10-34-60(5)13-12-35(61(6,24-66)33(60)11-14-63(34,8)62(27,7)16-18-64)90-57-51(39(72)30(68)22-84-57)93-56-48(81)50(37(70)26(2)87-56)92-53-44(77)38(71)29(67)21-83-53/h9,25-26,28-57,65-81H,10-24H2,1-8H3",CC1OC(OC2C(CO)OC(OCC3OC(OC(=O)C45CCC(C)(C)CC4C4=CCC6C7(C)CCC(OC8OCC(O)C(O)C8OC8OC(C)C(O)C(OC9OCC(O)C(O)C9O)C8O)C(C)(CO)C7CCC6(C)C4(C)CC5)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O,C64H104O30,pos_3_2proton1sodium,1352.661241928,PLQZZVHULIUSEV,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis chinensis,841986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis chinensis'],8,1,8.5 85655,3258,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,PLQZZVHULIUSEV-FXDKWXKUSA-N,"InChI=1S/C64H104O30/c1-25-36(69)41(74)45(78)54(86-25)91-49-31(20-65)88-52(47(80)43(49)76)85-23-32-40(73)42(75)46(79)55(89-32)94-58(82)64-17-15-59(3,4)19-28(64)27-9-10-34-60(5)13-12-35(61(6,24-66)33(60)11-14-63(34,8)62(27,7)16-18-64)90-57-51(39(72)30(68)22-84-57)93-56-48(81)50(37(70)26(2)87-56)92-53-44(77)38(71)29(67)21-83-53/h9,25-26,28-57,65-81H,10-24H2,1-8H3/t25-,26-,28-,29+,30-,31+,32+,33+,34+,35-,36-,37-,38+,39-,40+,41+,42-,43+,44+,45+,46+,47+,48+,49+,50+,51+,52+,53-,54-,55-,56-,57-,60-,61-,62+,63+,64-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C4=CC[C@@H]6[C@@]7(C)CC[C@H](O[C@@H]8OC[C@H](O)[C@H](O)[C@H]8O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O[C@@H]9OC[C@@H](O)[C@@H](O)[C@H]9O)[C@H]8O)[C@@](C)(CO)[C@@H]7CC[C@@]6(C)[C@]4(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O,C64H104O30,pos_3_2proton1sodium,1352.661241927999,PLQZZVHULIUSEV,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis stans,21283.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis stans'],8,1,8.5 85656,3258,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,PLQZZVHULIUSEV-FXDKWXKUSA-N,"InChI=1S/C64H104O30/c1-25-36(69)41(74)45(78)54(86-25)91-49-31(20-65)88-52(47(80)43(49)76)85-23-32-40(73)42(75)46(79)55(89-32)94-58(82)64-17-15-59(3,4)19-28(64)27-9-10-34-60(5)13-12-35(61(6,24-66)33(60)11-14-63(34,8)62(27,7)16-18-64)90-57-51(39(72)30(68)22-84-57)93-56-48(81)50(37(70)26(2)87-56)92-53-44(77)38(71)29(67)21-83-53/h9,25-26,28-57,65-81H,10-24H2,1-8H3/t25-,26-,28-,29+,30-,31+,32+,33+,34+,35-,36-,37-,38+,39-,40+,41+,42-,43+,44+,45+,46+,47+,48+,49+,50+,51+,52+,53-,54-,55-,56-,57-,60-,61-,62+,63+,64-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C4=CC[C@@H]6[C@@]7(C)CC[C@H](O[C@@H]8OC[C@H](O)[C@H](O)[C@H]8O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O[C@@H]9OC[C@@H](O)[C@@H](O)[C@H]9O)[C@H]8O)[C@@](C)(CO)[C@@H]7CC[C@@]6(C)[C@]4(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O,C64H104O30,pos_3_2proton1sodium,1352.661241927999,PLQZZVHULIUSEV,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis vitalba,756499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis vitalba'],8,1,8.5 85657,3258,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,PLQZZVHULIUSEV-FXDKWXKUSA-N,"InChI=1S/C64H104O30/c1-25-36(69)41(74)45(78)54(86-25)91-49-31(20-65)88-52(47(80)43(49)76)85-23-32-40(73)42(75)46(79)55(89-32)94-58(82)64-17-15-59(3,4)19-28(64)27-9-10-34-60(5)13-12-35(61(6,24-66)33(60)11-14-63(34,8)62(27,7)16-18-64)90-57-51(39(72)30(68)22-84-57)93-56-48(81)50(37(70)26(2)87-56)92-53-44(77)38(71)29(67)21-83-53/h9,25-26,28-57,65-81H,10-24H2,1-8H3/t25-,26-,28-,29+,30-,31+,32+,33+,34+,35-,36-,37-,38+,39-,40+,41+,42-,43+,44+,45+,46+,47+,48+,49+,50+,51+,52+,53-,54-,55-,56-,57-,60-,61-,62+,63+,64-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C4=CC[C@@H]6[C@@]7(C)CC[C@H](O[C@@H]8OC[C@H](O)[C@H](O)[C@H]8O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O[C@@H]9OC[C@@H](O)[C@@H](O)[C@H]9O)[C@H]8O)[C@@](C)(CO)[C@@H]7CC[C@@]6(C)[C@]4(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O,C64H104O30,pos_3_2proton1sodium,1352.661241927999,PLQZZVHULIUSEV,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis,964052.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Unknown'],8,1,8.5 85658,3258,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,PLQZZVHULIUSEV-FXDKWXKUSA-N,"InChI=1S/C64H104O30/c1-25-36(69)41(74)45(78)54(86-25)91-49-31(20-65)88-52(47(80)43(49)76)85-23-32-40(73)42(75)46(79)55(89-32)94-58(82)64-17-15-59(3,4)19-28(64)27-9-10-34-60(5)13-12-35(61(6,24-66)33(60)11-14-63(34,8)62(27,7)16-18-64)90-57-51(39(72)30(68)22-84-57)93-56-48(81)50(37(70)26(2)87-56)92-53-44(77)38(71)29(67)21-83-53/h9,25-26,28-57,65-81H,10-24H2,1-8H3/t25-,26-,28-,29+,30-,31+,32+,33+,34+,35-,36-,37-,38+,39-,40+,41+,42-,43+,44+,45+,46+,47+,48+,49+,50+,51+,52+,53-,54-,55-,56-,57-,60-,61-,62+,63+,64-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C4=CC[C@@H]6[C@@]7(C)CC[C@H](O[C@@H]8OC[C@H](O)[C@H](O)[C@H]8O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O[C@@H]9OC[C@@H](O)[C@@H](O)[C@H]9O)[C@H]8O)[C@@](C)(CO)[C@@H]7CC[C@@]6(C)[C@]4(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O,C64H104O30,pos_3_2proton1sodium,1352.661241927999,PLQZZVHULIUSEV,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis tibetana,972666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tibetana'],8,1,8.5 85659,3258,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,PLQZZVHULIUSEV-FXDKWXKUSA-N,"InChI=1S/C64H104O30/c1-25-36(69)41(74)45(78)54(86-25)91-49-31(20-65)88-52(47(80)43(49)76)85-23-32-40(73)42(75)46(79)55(89-32)94-58(82)64-17-15-59(3,4)19-28(64)27-9-10-34-60(5)13-12-35(61(6,24-66)33(60)11-14-63(34,8)62(27,7)16-18-64)90-57-51(39(72)30(68)22-84-57)93-56-48(81)50(37(70)26(2)87-56)92-53-44(77)38(71)29(67)21-83-53/h9,25-26,28-57,65-81H,10-24H2,1-8H3/t25-,26-,28-,29+,30-,31+,32+,33+,34+,35-,36-,37-,38+,39-,40+,41+,42-,43+,44+,45+,46+,47+,48+,49+,50+,51+,52+,53-,54-,55-,56-,57-,60-,61-,62+,63+,64-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C4=CC[C@@H]6[C@@]7(C)CC[C@H](O[C@@H]8OC[C@H](O)[C@H](O)[C@H]8O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O[C@@H]9OC[C@@H](O)[C@@H](O)[C@H]9O)[C@H]8O)[C@@](C)(CO)[C@@H]7CC[C@@]6(C)[C@]4(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O,C64H104O30,pos_3_2proton1sodium,1352.661241927999,PLQZZVHULIUSEV,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis stans,21283.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis stans'],8,1,8.5 85660,3258,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,PLQZZVHULIUSEV-UHFFFAOYSA-N,"InChI=1S/C64H104O30/c1-25-36(69)41(74)45(78)54(86-25)91-49-31(20-65)88-52(47(80)43(49)76)85-23-32-40(73)42(75)46(79)55(89-32)94-58(82)64-17-15-59(3,4)19-28(64)27-9-10-34-60(5)13-12-35(61(6,24-66)33(60)11-14-63(34,8)62(27,7)16-18-64)90-57-51(39(72)30(68)22-84-57)93-56-48(81)50(37(70)26(2)87-56)92-53-44(77)38(71)29(67)21-83-53/h9,25-26,28-57,65-81H,10-24H2,1-8H3",CC1OC(OC2C(CO)OC(OCC3OC(OC(=O)C45CCC(C)(C)CC4C4=CCC6C7(C)CCC(OC8OCC(O)C(O)C8OC8OC(C)C(O)C(OC9OCC(O)C(O)C9O)C8O)C(C)(CO)C7CCC6(C)C4(C)CC5)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O,C64H104O30,pos_3_2proton1sodium,1352.661241928,PLQZZVHULIUSEV,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis chinensis,841986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis chinensis'],8,1,8.5 85661,3258,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,PLQZZVHULIUSEV-FXDKWXKUSA-N,"InChI=1S/C64H104O30/c1-25-36(69)41(74)45(78)54(86-25)91-49-31(20-65)88-52(47(80)43(49)76)85-23-32-40(73)42(75)46(79)55(89-32)94-58(82)64-17-15-59(3,4)19-28(64)27-9-10-34-60(5)13-12-35(61(6,24-66)33(60)11-14-63(34,8)62(27,7)16-18-64)90-57-51(39(72)30(68)22-84-57)93-56-48(81)50(37(70)26(2)87-56)92-53-44(77)38(71)29(67)21-83-53/h9,25-26,28-57,65-81H,10-24H2,1-8H3/t25-,26-,28-,29+,30-,31+,32+,33+,34+,35-,36-,37-,38+,39-,40+,41+,42-,43+,44+,45+,46+,47+,48+,49+,50+,51+,52+,53-,54-,55-,56-,57-,60-,61-,62+,63+,64-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C4=CC[C@@H]6[C@@]7(C)CC[C@H](O[C@@H]8OC[C@H](O)[C@H](O)[C@H]8O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O[C@@H]9OC[C@@H](O)[C@@H](O)[C@H]9O)[C@H]8O)[C@@](C)(CO)[C@@H]7CC[C@@]6(C)[C@]4(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O,C64H104O30,pos_3_2proton1sodium,1352.661241927999,PLQZZVHULIUSEV,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis tibetana,972666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tibetana'],8,1,8.5 85662,3258,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,PLQZZVHULIUSEV-FXDKWXKUSA-N,"InChI=1S/C64H104O30/c1-25-36(69)41(74)45(78)54(86-25)91-49-31(20-65)88-52(47(80)43(49)76)85-23-32-40(73)42(75)46(79)55(89-32)94-58(82)64-17-15-59(3,4)19-28(64)27-9-10-34-60(5)13-12-35(61(6,24-66)33(60)11-14-63(34,8)62(27,7)16-18-64)90-57-51(39(72)30(68)22-84-57)93-56-48(81)50(37(70)26(2)87-56)92-53-44(77)38(71)29(67)21-83-53/h9,25-26,28-57,65-81H,10-24H2,1-8H3/t25-,26-,28-,29+,30-,31+,32+,33+,34+,35-,36-,37-,38+,39-,40+,41+,42-,43+,44+,45+,46+,47+,48+,49+,50+,51+,52+,53-,54-,55-,56-,57-,60-,61-,62+,63+,64-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C4=CC[C@@H]6[C@@]7(C)CC[C@H](O[C@@H]8OC[C@H](O)[C@H](O)[C@H]8O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O[C@@H]9OC[C@@H](O)[C@@H](O)[C@H]9O)[C@H]8O)[C@@](C)(CO)[C@@H]7CC[C@@]6(C)[C@]4(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O,C64H104O30,pos_3_2proton1sodium,1352.661241927999,PLQZZVHULIUSEV,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis montana,970477.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis montana'],8,1,8.5 85663,3258,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,PLQZZVHULIUSEV-FXDKWXKUSA-N,"InChI=1S/C64H104O30/c1-25-36(69)41(74)45(78)54(86-25)91-49-31(20-65)88-52(47(80)43(49)76)85-23-32-40(73)42(75)46(79)55(89-32)94-58(82)64-17-15-59(3,4)19-28(64)27-9-10-34-60(5)13-12-35(61(6,24-66)33(60)11-14-63(34,8)62(27,7)16-18-64)90-57-51(39(72)30(68)22-84-57)93-56-48(81)50(37(70)26(2)87-56)92-53-44(77)38(71)29(67)21-83-53/h9,25-26,28-57,65-81H,10-24H2,1-8H3/t25-,26-,28-,29+,30-,31+,32+,33+,34+,35-,36-,37-,38+,39-,40+,41+,42-,43+,44+,45+,46+,47+,48+,49+,50+,51+,52+,53-,54-,55-,56-,57-,60-,61-,62+,63+,64-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C4=CC[C@@H]6[C@@]7(C)CC[C@H](O[C@@H]8OC[C@H](O)[C@H](O)[C@H]8O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O[C@@H]9OC[C@@H](O)[C@@H](O)[C@H]9O)[C@H]8O)[C@@](C)(CO)[C@@H]7CC[C@@]6(C)[C@]4(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O,C64H104O30,pos_3_2proton1sodium,1352.661241927999,PLQZZVHULIUSEV,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis montana,970477.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis montana'],8,1,8.5 85664,3258,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,PLQZZVHULIUSEV-FXDKWXKUSA-N,"InChI=1S/C64H104O30/c1-25-36(69)41(74)45(78)54(86-25)91-49-31(20-65)88-52(47(80)43(49)76)85-23-32-40(73)42(75)46(79)55(89-32)94-58(82)64-17-15-59(3,4)19-28(64)27-9-10-34-60(5)13-12-35(61(6,24-66)33(60)11-14-63(34,8)62(27,7)16-18-64)90-57-51(39(72)30(68)22-84-57)93-56-48(81)50(37(70)26(2)87-56)92-53-44(77)38(71)29(67)21-83-53/h9,25-26,28-57,65-81H,10-24H2,1-8H3/t25-,26-,28-,29+,30-,31+,32+,33+,34+,35-,36-,37-,38+,39-,40+,41+,42-,43+,44+,45+,46+,47+,48+,49+,50+,51+,52+,53-,54-,55-,56-,57-,60-,61-,62+,63+,64-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C4=CC[C@@H]6[C@@]7(C)CC[C@H](O[C@@H]8OC[C@H](O)[C@H](O)[C@H]8O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O[C@@H]9OC[C@@H](O)[C@@H](O)[C@H]9O)[C@H]8O)[C@@](C)(CO)[C@@H]7CC[C@@]6(C)[C@]4(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O,C64H104O30,pos_3_2proton1sodium,1352.661241927999,PLQZZVHULIUSEV,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis,964052.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Unknown'],8,1,8.5 85665,3258,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,PLQZZVHULIUSEV-FXDKWXKUSA-N,"InChI=1S/C64H104O30/c1-25-36(69)41(74)45(78)54(86-25)91-49-31(20-65)88-52(47(80)43(49)76)85-23-32-40(73)42(75)46(79)55(89-32)94-58(82)64-17-15-59(3,4)19-28(64)27-9-10-34-60(5)13-12-35(61(6,24-66)33(60)11-14-63(34,8)62(27,7)16-18-64)90-57-51(39(72)30(68)22-84-57)93-56-48(81)50(37(70)26(2)87-56)92-53-44(77)38(71)29(67)21-83-53/h9,25-26,28-57,65-81H,10-24H2,1-8H3/t25-,26-,28-,29+,30-,31+,32+,33+,34+,35-,36-,37-,38+,39-,40+,41+,42-,43+,44+,45+,46+,47+,48+,49+,50+,51+,52+,53-,54-,55-,56-,57-,60-,61-,62+,63+,64-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C4=CC[C@@H]6[C@@]7(C)CC[C@H](O[C@@H]8OC[C@H](O)[C@H](O)[C@H]8O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O[C@@H]9OC[C@@H](O)[C@@H](O)[C@H]9O)[C@H]8O)[C@@](C)(CO)[C@@H]7CC[C@@]6(C)[C@]4(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O,C64H104O30,pos_3_2proton1sodium,1352.661241927999,PLQZZVHULIUSEV,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis stans,21283.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis stans'],8,1,8.5 85618,3252,43,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.29172176,ISDB,GFKKBNXSTILZPT-LURJTMIESA-N,"InChI=1S/C11H12O3/c1-6-4-11(13)14-10-3-7(2)9(12)5-8(6)10/h3,5-6,12H,4H2,1-2H3/t6-/m0/s1",Cc1cc2c(cc1O)[C@@H](C)CC(=O)O2,C11H12O3,,192.078644244,GFKKBNXSTILZPT,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Heritiera ornithocephala,6118824.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Heritiera'],['Heritiera ornithocephala'],4,3,6.666887044906616 85617,3248,-1,,,,0.0,MS1_match,IJPILWLAYQFNOD-UQSUZELCSA-N,"InChI=1S/C16H30O10/c1-7(2)3-4-23-16-14(22)12(20)11(19)9(26-16)6-25-15-13(21)10(18)8(17)5-24-15/h7-22H,3-6H2,1-2H3/t8-,9+,10-,11+,12-,13+,14+,15-,16+/m0/s1",CC(C)CCO[C@@H]1O[C@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C16H30O10,pos_1_minus1proton2sodium,382.18389715999984,IJPILWLAYQFNOD,,,,Salacia chinensis,380833.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Salacia'],['Salacia chinensis'],6,0,6.0 85555,3246,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana capensis,135852.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana capensis'],6,3,7.5 85556,3246,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana cardamines,6061598.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana cardamines'],6,3,7.5 85557,3246,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,3,7.5 85558,3246,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana edulis,646604.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana edulis'],6,3,7.5 85559,3246,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana pulchella,5746422.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana pulchella'],6,3,7.5 85560,3246,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana prionophylla,526653.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana prionophylla'],6,3,7.5 85561,3246,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,PHHROXLDZHUIGO-KQUCSHIGSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17?,20+,21?,22+/m0/s1",CC(=O)OC1C[C@H]2C(COC(=O)CC(C)C)=COC(OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.209717984,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana,393345.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Unknown'],6,3,7.5 85562,3246,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Centranthus ruber,759056.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Centranthus'],['Centranthus ruber'],6,3,7.5 85563,3246,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Fedia cornucopiae,945863.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Fedia'],['Fedia cornucopiae'],6,3,7.5 85564,3246,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valerianella dentata,476255.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valerianella'],['Valerianella dentata'],6,3,7.5 85565,3246,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,3,7.5 85566,3246,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valerianella locusta,459098.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valerianella'],['Valerianella locusta'],6,3,7.5 85567,3246,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valerianella coronata,445620.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valerianella'],['Valerianella coronata'],6,3,7.5 85568,3246,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana sambucifolia,746279.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana sambucifolia'],6,3,7.5 85569,3246,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,PHHROXLDZHUIGO-KQUCSHIGSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17?,20+,21?,22+/m0/s1",CC(=O)OC1C[C@H]2C(COC(=O)CC(C)C)=COC(OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.209717984,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Nardostachys jatamansi,24101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Nardostachys'],['Nardostachys jatamansi'],6,3,7.5 85570,3246,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Centranthus macrosiphon,231861.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Centranthus'],['Centranthus macrosiphon'],6,3,7.5 85571,3246,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana pseudofficinalis,245963.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana pseudofficinalis'],6,3,7.5 85572,3246,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plectritis macrocera,945858.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Plectritis'],['Plectritis macrocera'],6,3,7.5 85573,3246,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plectritis congesta,830567.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Plectritis'],['Plectritis congesta'],6,3,7.5 85574,3246,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana sitchensis,21459.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana sitchensis'],6,3,7.5 85575,3246,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana microphylla,21453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana microphylla'],6,3,7.5 85576,3246,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana micropterina,6061682.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana micropterina'],6,3,7.5 85577,3246,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana pulvinata,7625148.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana pulvinata'],6,3,7.5 85578,3246,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana fedtschenkoi,139316.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana longiflora'],6,3,7.5 85579,3246,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana chionophila,6061606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana chionophila'],6,3,7.5 85580,3246,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana glechomifolia,6061640.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana glechomifolia'],6,3,7.5 85581,3246,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana capensis,135852.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana capensis'],6,3,7.5 85582,3246,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,KQEOKUJOWVGWDX-QFOSDGOKSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17-,20-,21-,22+/m1/s1",CC(=O)OCC1=CO[C@H](OC(=O)CC(C)C)[C@H]2[C@@H]1C[C@@H](OC(=O)CC(C)C)[C@@]21CO1,C22H32O8,pos_1_1proton2acetonitrile,424.209717984,KQEOKUJOWVGWDX,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana microphylla,21453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana microphylla'],6,3,7.5 85583,3246,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana eriophylla,6061633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana eriophylla'],6,3,7.5 85584,3246,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana rossica,6061718.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana rossica'],6,3,7.5 85585,3246,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,GXDIBKDQQDPOBI-BHIFYINESA-N,"InChI=1S/C22H32O8/c1-6-27-12-22(26)17(23)9-16-15(10-28-18(24)7-13(2)3)11-29-21(20(16)22)30-19(25)8-14(4)5/h9,11,13-14,20-21,26H,6-8,10,12H2,1-5H3/t20-,21+,22-/m1/s1",CCOC[C@@]1(O)C(=O)C=C2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]21,C22H32O8,pos_1_1proton2acetonitrile,424.209717984,GXDIBKDQQDPOBI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia rupestris,1035977.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia rupestris'],6,3,7.5 85586,3246,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana glechomifolia,6061640.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana glechomifolia'],6,3,7.5 85587,3246,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana rossica,6061718.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana rossica'],6,3,7.5 85588,3246,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana eriophylla,6061633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana eriophylla'],6,3,7.5 85589,3246,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana cardamines,6061598.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana cardamines'],6,3,7.5 85590,3246,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,3,7.5 85591,3246,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana edulis,646604.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana edulis'],6,3,7.5 85592,3246,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana pulchella,5746422.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana pulchella'],6,3,7.5 85593,3246,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana prionophylla,526653.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana prionophylla'],6,3,7.5 85594,3246,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,PHHROXLDZHUIGO-KQUCSHIGSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17?,20+,21?,22+/m0/s1",CC(=O)OC1C[C@H]2C(COC(=O)CC(C)C)=COC(OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.209717984,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana,393345.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Unknown'],6,3,7.5 85595,3246,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Centranthus ruber,759056.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Centranthus'],['Centranthus ruber'],6,3,7.5 85596,3246,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Fedia cornucopiae,945863.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Fedia'],['Fedia cornucopiae'],6,3,7.5 85597,3246,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valerianella dentata,476255.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valerianella'],['Valerianella dentata'],6,3,7.5 85598,3246,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,PVKOJQHHDYMUEI-RCUFNAHASA-N,"InChI=1S/C22H32O8/c1-12(2)6-15(24)9-26-17-10-27-21(30-19(25)7-13(3)4)20-16(17)8-18(29-14(5)23)22(20)11-28-22/h10,12-13,16,18,20-21H,6-9,11H2,1-5H3/t16-,18+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(OCC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.209717984,PVKOJQHHDYMUEI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,3,7.5 85599,3246,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valerianella locusta,459098.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valerianella'],['Valerianella locusta'],6,3,7.5 85600,3246,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,3,7.5 85601,3246,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana sambucifolia,746279.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana sambucifolia'],6,3,7.5 85602,3246,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,PHHROXLDZHUIGO-KQUCSHIGSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17?,20+,21?,22+/m0/s1",CC(=O)OC1C[C@H]2C(COC(=O)CC(C)C)=COC(OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.209717984,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Nardostachys jatamansi,24101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Nardostachys'],['Nardostachys jatamansi'],6,3,7.5 85603,3246,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Centranthus macrosiphon,231861.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Centranthus'],['Centranthus macrosiphon'],6,3,7.5 85604,3246,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana pseudofficinalis,245963.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana pseudofficinalis'],6,3,7.5 85605,3246,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plectritis macrocera,945858.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Plectritis'],['Plectritis macrocera'],6,3,7.5 85606,3246,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plectritis congesta,830567.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Plectritis'],['Plectritis congesta'],6,3,7.5 85607,3246,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana sitchensis,21459.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana sitchensis'],6,3,7.5 85608,3246,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana microphylla,21453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana microphylla'],6,3,7.5 85609,3246,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana micropterina,6061682.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana micropterina'],6,3,7.5 85610,3246,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana pulvinata,7625148.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana pulvinata'],6,3,7.5 85611,3246,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana fedtschenkoi,139316.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana longiflora'],6,3,7.5 85612,3246,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana chionophila,6061606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana chionophila'],6,3,7.5 85613,3246,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valerianella coronata,445620.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valerianella'],['Valerianella coronata'],6,3,7.5 85549,3244,-1,,,,0.0,MS1_match,BNBCNSZOUCPLOA-YLJYHZDGSA-N,"InChI=1S/C20H18O9/c21-14-6-1-12(2-7-14)5-10-16(23)29-17(18(24)25)20(28,19(26)27)11-13-3-8-15(22)9-4-13/h1-10,17,21-22,28H,11H2,(H,24,25)(H,26,27)/t17-,20-/m1/s1",O=C(C=Cc1ccc(O)cc1)O[C@H](C(=O)O)[C@](O)(Cc1ccc(O)cc1)C(=O)O,C20H18O9,pos_1_sodium,402.095082156,BNBCNSZOUCPLOA,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Actaea simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],6,0,6.0 85550,3244,-1,,,,0.0,MS1_match,BNBCNSZOUCPLOA-YLJYHZDGSA-N,"InChI=1S/C20H18O9/c21-14-6-1-12(2-7-14)5-10-16(23)29-17(18(24)25)20(28,19(26)27)11-13-3-8-15(22)9-4-13/h1-10,17,21-22,28H,11H2,(H,24,25)(H,26,27)/t17-,20-/m1/s1",O=C(C=Cc1ccc(O)cc1)O[C@H](C(=O)O)[C@](O)(Cc1ccc(O)cc1)C(=O)O,C20H18O9,pos_1_sodium,402.095082156,BNBCNSZOUCPLOA,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Actaea japonica,988749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea japonica'],6,0,6.0 85551,3244,-1,,,,0.0,MS1_match,BNBCNSZOUCPLOA-YLJYHZDGSA-N,"InChI=1S/C20H18O9/c21-14-6-1-12(2-7-14)5-10-16(23)29-17(18(24)25)20(28,19(26)27)11-13-3-8-15(22)9-4-13/h1-10,17,21-22,28H,11H2,(H,24,25)(H,26,27)/t17-,20-/m1/s1",O=C(C=Cc1ccc(O)cc1)O[C@H](C(=O)O)[C@](O)(Cc1ccc(O)cc1)C(=O)O,C20H18O9,pos_1_sodium,402.095082156,BNBCNSZOUCPLOA,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cimicifuga simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],6,0,6.0 85552,3244,-1,,,,0.0,MS1_match,RHQXHDXIEARXSC-DTLVDHMJSA-N,"InChI=1S/C20H18O9/c21-14-8-6-12(10-15(14)22)7-9-16(23)29-17(18(24)25)20(28,19(26)27)11-13-4-2-1-3-5-13/h1-10,17,21-22,28H,11H2,(H,24,25)(H,26,27)/b9-7+/t17-,20-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](C(=O)O)[C@](O)(Cc1ccccc1)C(=O)O,C20H18O9,pos_1_sodium,402.09508215599993,RHQXHDXIEARXSC,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Actaea simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],6,0,6.0 85553,3244,-1,,,,0.0,MS1_match,RHQXHDXIEARXSC-DTLVDHMJSA-N,"InChI=1S/C20H18O9/c21-14-8-6-12(10-15(14)22)7-9-16(23)29-17(18(24)25)20(28,19(26)27)11-13-4-2-1-3-5-13/h1-10,17,21-22,28H,11H2,(H,24,25)(H,26,27)/b9-7+/t17-,20-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](C(=O)O)[C@](O)(Cc1ccccc1)C(=O)O,C20H18O9,pos_1_sodium,402.09508215599993,RHQXHDXIEARXSC,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Actaea japonica,988749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea japonica'],6,0,6.0 85554,3244,-1,,,,0.0,MS1_match,RHQXHDXIEARXSC-DTLVDHMJSA-N,"InChI=1S/C20H18O9/c21-14-8-6-12(10-15(14)22)7-9-16(23)29-17(18(24)25)20(28,19(26)27)11-13-4-2-1-3-5-13/h1-10,17,21-22,28H,11H2,(H,24,25)(H,26,27)/b9-7+/t17-,20-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](C(=O)O)[C@](O)(Cc1ccccc1)C(=O)O,C20H18O9,pos_1_sodium,402.09508215599993,RHQXHDXIEARXSC,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cimicifuga simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],6,0,6.0 85542,3243,48,Fatty acids,Fatty amides,N-acyl amines,0.3908602,ISDB,DKMGVACNAAKVRR-MRBSYODNSA-N,"InChI=1S/C25H37NO2/c1-2-3-4-5-6-7-8-9-10-11-15-19-24(27)20-16-21-25(28)26-22-23-17-13-12-14-18-23/h10-15,17-19H,2-9,16,20-22H2,1H3,(H,26,28)/b11-10+,19-15+",CCCCCCCCC/C=C/C=C/C(=O)CCCC(=O)NCc1ccccc1,C25H37NO2,,383.282429424,DKMGVACNAAKVRR,Fatty acids,Fatty amides,N-acyl amines,Lepidium meyenii,681784.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Lepidieae'],['Lepidium'],['Lepidium meyenii'],4,3,7.063440799713135 85179,3241,173,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.55603015,ISDB,BVKKHPBKRVEHGR-UHFFFAOYSA-N,"InChI=1S/C10H10O3/c11-5-6-4-9(12)10(13)8-3-1-2-7(6)8/h4-5,12-13H,1-3H2",O=Cc1cc(O)c(O)c2c1CCC2,C10H10O3,,178.06299418,BVKKHPBKRVEHGR,Terpenoids,,,Amomum tsao-ko,698763.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Lanxangia'],['Lanxangia tsaoko'],4,1,6.724120616912842 85180,3241,173,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.55603015,ISDB,BVKKHPBKRVEHGR-UHFFFAOYSA-N,"InChI=1S/C10H10O3/c11-5-6-4-9(12)10(13)8-3-1-2-7(6)8/h4-5,12-13H,1-3H2",O=Cc1cc(O)c(O)c2c1CCC2,C10H10O3,,178.06299418,BVKKHPBKRVEHGR,Terpenoids,,,Lanxangia tsao-ko,698763.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Lanxangia'],['Lanxangia tsaoko'],4,1,6.724120616912842 85176,3240,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.0,MS1_match,SFJFCIDQFBVZLY-UHFFFAOYSA-N,"InChI=1S/C20H34O2/c1-17(2)8-4-9-20(13-21)15(17)7-10-19-11-14(5-6-16(19)20)18(3,22)12-19/h14-16,21-22H,4-13H2,1-3H3",CC1(C)CCCC2(CO)C1CCC13CC(CCC12)C(C)(O)C3,C20H34O2,pos_1_1proton1acetonitrile,306.255880328,SFJFCIDQFBVZLY,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Aconitum coreanum,377294.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum coreanum'],6,1,6.5 85126,3236,43,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,RODXRVNMMDRFIK-UHFFFAOYSA-N,"InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3",COc1cc2ccc(=O)oc2cc1O,C10H8O4,pos_1_1proton,192.042258736,RODXRVNMMDRFIK,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Lonicera hypoleuca,5746397.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera hypoleuca'],7,3,8.5 85097,3231,-1,,,,0.0,MS1_match,CIDJXBNFIKRPHX-UHFFFAOYSA-N,"InChI=1S/C13H12O3/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,13-16H",Oc1ccc(C(O)c2ccc(O)cc2)cc1,C13H12O3,pos_1_1proton1acetonitrile,216.078644244,CIDJXBNFIKRPHX,Shikimates and Phenylpropanoids,,,Delphinium elatum,518362.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium elatum'],6,0,6.0 85058,3224,62,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.28486645,ISDB,HKMDHBXRMZEVHY-UHFFFAOYSA-N,"InChI=1S/C16H26O8/c1-7-8-3-4-16(2,9(8)6-22-14(7)21)24-15-13(20)12(19)11(18)10(5-17)23-15/h7-13,15,17-20H,3-6H2,1-2H3",CC1C(=O)OCC2C1CCC2(C)OC1OC(CO)C(O)C(O)C1O,C16H26O8,,346.1627677919999,HKMDHBXRMZEVHY,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia scabra,68239.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia scabra'],6,3,8.639465808868408 84821,3222,-1,,,,0.7040492,ISDB,UUUXPUGZNDRYSV-GCKMJXCFSA-N,"InChI=1S/C21H22O6/c1-22-21-16(7-14-3-5-18-20(9-14)27-12-25-18)15(10-23-21)6-13-2-4-17-19(8-13)26-11-24-17/h2-5,8-9,15-16,21H,6-7,10-12H2,1H3/t15-,16+,21+/m0/s1",CO[C@@H]1OC[C@H](Cc2ccc3c(c2)OCO3)[C@H]1Cc1ccc2c(c1)OCO2,C21H22O6,,370.1416384239999,UUUXPUGZNDRYSV,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Piper borbonense,600430.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper borbonense'],4,0,6.816196918487549 84822,3222,-1,,,,0.7040492,ISDB,UUUXPUGZNDRYSV-GCKMJXCFSA-N,"InChI=1S/C21H22O6/c1-22-21-16(7-14-3-5-18-20(9-14)27-12-25-18)15(10-23-21)6-13-2-4-17-19(8-13)26-11-24-17/h2-5,8-9,15-16,21H,6-7,10-12H2,1H3/t15-,16+,21+/m0/s1",CO[C@@H]1OC[C@H](Cc2ccc3c(c2)OCO3)[C@H]1Cc1ccc2c(c1)OCO2,C21H22O6,,370.1416384239999,UUUXPUGZNDRYSV,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Aristolochia littoralis,859241.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Aristolochiaceae'],['Unknown'],['Aristolochia'],['Aristolochia littoralis'],4,0,6.816196918487549 84823,3222,-1,,,,0.7040492,ISDB,UUUXPUGZNDRYSV-GCKMJXCFSA-N,"InChI=1S/C21H22O6/c1-22-21-16(7-14-3-5-18-20(9-14)27-12-25-18)15(10-23-21)6-13-2-4-17-19(8-13)26-11-24-17/h2-5,8-9,15-16,21H,6-7,10-12H2,1H3/t15-,16+,21+/m0/s1",CO[C@@H]1OC[C@H](Cc2ccc3c(c2)OCO3)[C@H]1Cc1ccc2c(c1)OCO2,C21H22O6,,370.1416384239999,UUUXPUGZNDRYSV,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Piper cubeba,311088.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper cubeba'],4,0,6.816196918487549 84824,3222,-1,,,,0.7040492,ISDB,UUUXPUGZNDRYSV-GCKMJXCFSA-N,"InChI=1S/C21H22O6/c1-22-21-16(7-14-3-5-18-20(9-14)27-12-25-18)15(10-23-21)6-13-2-4-17-19(8-13)26-11-24-17/h2-5,8-9,15-16,21H,6-7,10-12H2,1H3/t15-,16+,21+/m0/s1",CO[C@@H]1OC[C@H](Cc2ccc3c(c2)OCO3)[C@H]1Cc1ccc2c(c1)OCO2,C21H22O6,,370.1416384239999,UUUXPUGZNDRYSV,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Hypoestes purpurea,6076819.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Acanthaceae'],['Justicieae'],['Hypoestes'],['Hypoestes purpurea'],4,0,6.816196918487549 84825,3222,-1,,,,0.7040492,ISDB,UUUXPUGZNDRYSV-GCKMJXCFSA-N,"InChI=1S/C21H22O6/c1-22-21-16(7-14-3-5-18-20(9-14)27-12-25-18)15(10-23-21)6-13-2-4-17-19(8-13)26-11-24-17/h2-5,8-9,15-16,21H,6-7,10-12H2,1H3/t15-,16+,21+/m0/s1",CO[C@@H]1OC[C@H](Cc2ccc3c(c2)OCO3)[C@H]1Cc1ccc2c(c1)OCO2,C21H22O6,,370.1416384239999,UUUXPUGZNDRYSV,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Artemisia chamaemelifolia,119282.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia chamaemelifolia'],4,0,6.816196918487549 84826,3222,-1,,,,0.7040492,ISDB,UUUXPUGZNDRYSV-GCKMJXCFSA-N,"InChI=1S/C21H22O6/c1-22-21-16(7-14-3-5-18-20(9-14)27-12-25-18)15(10-23-21)6-13-2-4-17-19(8-13)26-11-24-17/h2-5,8-9,15-16,21H,6-7,10-12H2,1H3/t15-,16+,21+/m0/s1",CO[C@@H]1OC[C@H](Cc2ccc3c(c2)OCO3)[C@H]1Cc1ccc2c(c1)OCO2,C21H22O6,,370.1416384239999,UUUXPUGZNDRYSV,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Lychnophora ericoides,1089135.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Vernonieae'],['Lychnophora'],['Lychnophora ericoides'],4,0,6.816196918487549 84827,3222,-1,,,,0.7040492,ISDB,UUUXPUGZNDRYSV-GCKMJXCFSA-N,"InChI=1S/C21H22O6/c1-22-21-16(7-14-3-5-18-20(9-14)27-12-25-18)15(10-23-21)6-13-2-4-17-19(8-13)26-11-24-17/h2-5,8-9,15-16,21H,6-7,10-12H2,1H3/t15-,16+,21+/m0/s1",CO[C@@H]1OC[C@H](Cc2ccc3c(c2)OCO3)[C@H]1Cc1ccc2c(c1)OCO2,C21H22O6,,370.1416384239999,UUUXPUGZNDRYSV,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Aristolochia elegans,80342.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Aristolochiaceae'],['Unknown'],['Aristolochia'],['Aristolochia elegans'],4,0,6.816196918487549 84828,3222,-1,,,,0.7040492,ISDB,UUUXPUGZNDRYSV-GCKMJXCFSA-N,"InChI=1S/C21H22O6/c1-22-21-16(7-14-3-5-18-20(9-14)27-12-25-18)15(10-23-21)6-13-2-4-17-19(8-13)26-11-24-17/h2-5,8-9,15-16,21H,6-7,10-12H2,1H3/t15-,16+,21+/m0/s1",CO[C@@H]1OC[C@H](Cc2ccc3c(c2)OCO3)[C@H]1Cc1ccc2c(c1)OCO2,C21H22O6,,370.1416384239999,UUUXPUGZNDRYSV,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Virola surinamensis,953839.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Myristicaceae'],['Unknown'],['Virola'],['Virola surinamensis'],4,0,6.816196918487549 84820,3216,-1,,,,0.0,MS1_match,UTNHBQHELZUVMJ-GFFQCQNISA-N,"InChI=1S/C19H34O8/c1-10-6-12(7-19(2,3)13(10)5-4-11(22)8-20)26-18-17(25)16(24)15(23)14(9-21)27-18/h4-5,10-18,20-25H,6-9H2,1-3H3/b5-4+/t10-,11-,12+,13+,14-,15-,16+,17-,18-/m1/s1",C[C@@H]1C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC(C)(C)[C@H]1/C=C/[C@@H](O)CO,C19H34O8,pos_1_1proton1acetonitrile,390.22536804799984,UTNHBQHELZUVMJ,Terpenoids,Apocarotenoids,Megastigmanes,Salacia chinensis,380833.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Salacia'],['Salacia chinensis'],6,0,6.0 84818,3214,62,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,HKMDHBXRMZEVHY-UHFFFAOYSA-N,"InChI=1S/C16H26O8/c1-7-8-3-4-16(2,9(8)6-22-14(7)21)24-15-13(20)12(19)11(18)10(5-17)23-15/h7-13,15,17-20H,3-6H2,1-2H3",CC1C(=O)OCC2C1CCC2(C)OC1OC(CO)C(O)C(O)C1O,C16H26O8,pos_1_1proton1ammonium,346.1627677919999,HKMDHBXRMZEVHY,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia scabra,68239.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia scabra'],6,3,7.5 84819,3214,62,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,PLSSBWGEYMENGJ-XLIFQNPRSA-N,"InChI=1S/C16H26O8/c1-7-2-3-9-8(5-22-15(21)11(7)9)6-23-16-14(20)13(19)12(18)10(4-17)24-16/h7-14,16-20H,2-6H2,1H3/t7-,8+,9+,10+,11+,12+,13+,14-,16+/m0/s1",C[C@H]1CC[C@@H]2[C@@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)COC(=O)[C@@H]21,C16H26O8,pos_1_1proton1ammonium,346.162767792,PLSSBWGEYMENGJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia villosa,971855.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia villosa'],6,3,7.5 84799,3211,408,Fatty acids,Tryptophan alkaloids,Quinoline alkaloids,0.22470856,ISDB,DWGJDUGVGKBCGA-LBPRGKRZSA-N,"InChI=1S/C15H17NO3/c1-15(2)12(17)8-10-13(19-15)9-6-4-5-7-11(9)16(3)14(10)18/h4-7,12,17H,8H2,1-3H3/t12-/m0/s1",Cn1c(=O)c2c(c3ccccc31)OC(C)(C)[C@@H](O)C2,C15H17NO3,,259.120843404,DWGJDUGVGKBCGA,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,Skimmia laureola,186515.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Skimmia'],['Skimmia laureola'],4,3,6.398834228515625 84798,3210,943,Terpenoids,Triterpenoids,Cycloartane triterpenoids,0.2472445,ISDB,YCUBHAWXGLKZIA-KUIZHMCLSA-N,"InChI=1S/C38H64O8/c1-22(12-11-16-34(2,3)44-10)23-15-17-38(8)32-26(43-9)20-25-24(36(32,6)18-19-37(23,38)7)13-14-28(35(25,4)5)46-33-31(42)30(41)29(40)27(21-39)45-33/h11,16,20,22-24,26-33,39-42H,12-15,17-19,21H2,1-10H3/b16-11+/t22-,23-,24-,26-,27-,28+,29-,30-,31-,32-,33+,36+,37-,38+/m1/s1",CO[C@@H]1C=C2[C@@H](CC[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)C2(C)C)[C@]2(C)CC[C@]3(C)[C@@H]([C@H](C)C/C=C/C(C)(C)OC)CC[C@@]3(C)[C@H]12,C38H64O8,,648.460119008,YCUBHAWXGLKZIA,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Momordica charantia,955521.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cucurbitales'],['Cucurbitaceae'],['Momordiceae'],['Momordica'],['Momordica charantia'],4,2,5.988978028297424 84796,3208,270,Shikimates and Phenylpropanoids,Chromanes,Chromones,0.6080118,ISDB,NRXBNSBNWUANMF-WMASDFALSA-N,"InChI=1S/C24H22O12/c25-13-5-1-11(9-14(13)26)2-7-17(27)33-10-16-19(29)21(31)22(32)24(35-16)34-15-6-3-12-4-8-18(28)36-23(12)20(15)30/h1-9,16,19,21-22,24-26,29-32H,10H2/b7-2+/t16-,19-,21+,22-,24-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](Oc2ccc3ccc(=O)oc3c2O)[C@H](O)[C@@H](O)[C@@H]1O,C24H22O12,,502.111126144,NRXBNSBNWUANMF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Cruciata taurica,221990.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Rubieae'],['Cruciata'],['Cruciata taurica'],4,1,6.932047128677368 84792,3207,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,YDDGKXBLOXEEMN-XAKUNQSDSA-N,"InChI=1S/C22H18O12/c23-13-5-1-11(9-15(13)25)3-7-17(27)33-19(21(29)30)20(22(31)32)34-18(28)8-4-12-2-6-14(24)16(26)10-12/h1-10,19-20,23-26H,(H,29,30)(H,31,32)/b7-3+,8-4+/t19-,20+",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](C(=O)O)[C@@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)O,C22H18O12,pos_1_1proton1ammonium,474.0798260159999,YDDGKXBLOXEEMN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Pulsatilla cernua,542352.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Pulsatilla'],['Pulsatilla cernua'],7,3,8.5 84793,3207,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,YDDGKXBLOXEEMN-XAKUNQSDSA-N,"InChI=1S/C22H18O12/c23-13-5-1-11(9-15(13)25)3-7-17(27)33-19(21(29)30)20(22(31)32)34-18(28)8-4-12-2-6-14(24)16(26)10-12/h1-10,19-20,23-26H,(H,29,30)(H,31,32)/b7-3+,8-4+/t19-,20+",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](C(=O)O)[C@@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)O,C22H18O12,pos_1_1proton1ammonium,474.0798260159999,YDDGKXBLOXEEMN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Pulsatilla cernua,542352.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Pulsatilla'],['Pulsatilla cernua'],7,3,8.5 84790,3205,-1,,,,0.0,MS1_match,HSUIVCLOAAJSRE-UHFFFAOYSA-N,"InChI=1S/C14H18O6/c1-17-7-9-19-13(15)11-5-3-4-6-12(11)14(16)20-10-8-18-2/h3-6H,7-10H2,1-2H3",COCCOC(=O)c1ccccc1C(=O)OCCOC,C14H18O6,pos_2MNa,282.110338296,HSUIVCLOAAJSRE,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 84783,3200,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RPMNUQRUHXIGHK-UHFFFAOYSA-N,"InChI=1S/C27H30O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-8,10,18,20-30,32-36H,9H2,1H3",CC1OC(OC2C(Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3)OC(CO)C(O)C2O)C(O)C(O)C1O,C27H30O14,pos_1_1proton,578.16355564,RPMNUQRUHXIGHK,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Lonicera gracilipes,920854.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera gracilipes'],7,2,8.0 84784,3200,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RPMNUQRUHXIGHK-PYXJVEIZSA-N,"InChI=1S/C27H30O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-8,10,18,20-30,32-36H,9H2,1H3/t10-,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O14,pos_1_1proton,578.16355564,RPMNUQRUHXIGHK,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,2,8.0 84770,3198,653,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,0.0,MS1_match,BCPJJFPKMVYIOS-HWKANZROSA-N,"InChI=1S/C12H12O6/c1-17-10-4-2-8(6-9(10)13)3-5-12(16)18-7-11(14)15/h2-6,13H,7H2,1H3,(H,14,15)/b5-3+",COc1ccc(/C=C/C(=O)OCC(=O)O)cc1O,C12H12O6,pos_1_1proton1methanol,252.063388104,BCPJJFPKMVYIOS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Actaea simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],6,0,6.0 84771,3198,653,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,0.0,MS1_match,BCPJJFPKMVYIOS-HWKANZROSA-N,"InChI=1S/C12H12O6/c1-17-10-4-2-8(6-9(10)13)3-5-12(16)18-7-11(14)15/h2-6,13H,7H2,1H3,(H,14,15)/b5-3+",COc1ccc(/C=C/C(=O)OCC(=O)O)cc1O,C12H12O6,pos_1_1proton1methanol,252.063388104,BCPJJFPKMVYIOS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cimicifuga simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],6,0,6.0 84768,3192,186,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,IKIIZLYTISPENI-ZFORQUDYSA-N,"InChI=1S/C21H18O11/c22-9-6-10(8-4-2-1-3-5-8)30-11-7-12(14(23)15(24)13(9)11)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21,23-27H,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1",O=C(O)[C@H]1O[C@@H](Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c2O)[C@H](O)[C@@H](O)[C@@H]1O,C21H18O11,pos_1_1proton,446.084911396,IKIIZLYTISPENI,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Thalictrum baicalense,1045100.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum baicalense'],6,3,7.5 84727,3191,-1,,,,0.57341903,ISDB,JJZQEGRFUHHHTH-FLBVZMSKSA-N,"InChI=1S/C16H22O2/c1-9-5-6-13-11(9)7-12(10(2)15(17)18-4)14-8-16(13,14)3/h6,9,11-12,14H,2,5,7-8H2,1,3-4H3/t9-,11+,12-,14-,16+/m1/s1",C=C(C(=O)OC)[C@H]1C[C@@H]2C(=CC[C@H]2C)[C@]2(C)C[C@H]12,C16H22O2,,246.161979944,JJZQEGRFUHHHTH,Terpenoids,Sesquiterpenoids,Cubebane sesquiterpenoids,Geigeria aspera,5794231.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Geigeria'],['Geigeria aspera'],4,0,6.293676137924194 84726,3189,759,Alkaloids,Tyrosine alkaloids,Terpenoid alkaloids,0.0,MS1_match,NBZANZVJRKXVBH-NHWXEJKLSA-N,"InChI=1S/C40H56O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-14,16-26,36-37,41H,15,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+/t36-,37+/m1/s1",CC1=CCCC(C)(C)[C@H]1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C,C40H56O,pos_2_1proton1potassium,552.433116412,NBZANZVJRKXVBH,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-ε)",Caltha palustris,387810.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Caltheae'],['Caltha'],['Caltha palustris'],6,0,6.0 84719,3188,219,Fatty acids,Fatty acyls,Fatty aldehydes,0.696147,ISDB,RMTOFKWPCZJSGD-HNNXBMFYSA-N,"InChI=1S/C15H31NO/c1-4-6-8-9-11-13-15(16-14(3)17)12-10-7-5-2/h15H,4-13H2,1-3H3,(H,16,17)/t15-/m0/s1",CCCCCCC[C@H](CCCCC)NC(C)=O,C15H31NO,,241.240564612,RMTOFKWPCZJSGD,Alkaloids,Peptide alkaloids,Simple amide alkaloids,Microcoleus lyngbyaceus,5616204.0,['Bacteria'],['Unknown'],['Cyanobacteria'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Microcoleus'],['Microcoleus lyngbyaceus'],0,0,2.784588098526001 84713,3187,1175,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,JGXFMIJHKASCIZ-NODAHLOSSA-N,"InChI=1S/C23H24O12/c1-31-15-3-9(4-16(32-2)19(15)27)13-7-12(26)18-11(25)5-10(6-14(18)34-13)33-23-22(30)21(29)20(28)17(8-24)35-23/h3-7,17,20-25,27-30H,8H2,1-2H3/t17-,20-,21+,22-,23?/m1/s1",COc1cc(-c2cc(=O)c3c(O)cc(OC4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc(OC)c1O,C23H24O12,pos_1_1proton1ammonium,492.1267762079998,JGXFMIJHKASCIZ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 84714,3187,1175,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,JGXFMIJHKASCIZ-NODAHLOSSA-N,"InChI=1S/C23H24O12/c1-31-15-3-9(4-16(32-2)19(15)27)13-7-12(26)18-11(25)5-10(6-14(18)34-13)33-23-22(30)21(29)20(28)17(8-24)35-23/h3-7,17,20-25,27-30H,8H2,1-2H3/t17-,20-,21+,22-,23?/m1/s1",COc1cc(-c2cc(=O)c3c(O)cc(OC4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc(OC)c1O,C23H24O12,pos_1_1proton1ammonium,492.1267762079998,JGXFMIJHKASCIZ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 84707,3186,345,Shikimates and Phenylpropanoids,Lignans,Naphthalenes and derivatives,0.0,MS1_match,FNYPZWBJPFEVFN-YLCGFITOSA-N,"InChI=1S/C23H29NO10/c1-2-14-15(6-5-13-4-3-7-24(10-13)8-9-25)16(21(30)31)12-32-22(14)34-23-20(29)19(28)18(27)17(11-26)33-23/h2-7,10,12,14-15,17-20,22-23,25-29H,1,8-9,11H2/b6-5+/t14-,15+,17-,18-,19+,20-,22+,23+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)[O-])[C@H]1/C=C/c1ccc[n+](CCO)c1,C23H29NO10,pos_1_1proton,479.179146128,FNYPZWBJPFEVFN,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],8,0,8.0 84705,3182,58,Polyketides,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,KDYAPQVYJXUQNY-OPHDRXFHSA-N,"InChI=1S/C51H84O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42(53)61-36-39(64-43(54)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-62-50-49(60)47(58)45(56)41(66-50)38-63-51-48(59)46(57)44(55)40(35-52)65-51/h5-8,11-14,17-20,39-41,44-52,55-60H,3-4,9-10,15-16,21-38H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t39-,40-,41-,44+,45+,46+,47+,48-,49-,50-,51+/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C51H84O15,pos_1_1proton1acetonitrile,936.5810219880002,KDYAPQVYJXUQNY,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Ranunculus fluitans,961752.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus fluitans'],6,3,7.5 84706,3182,58,Polyketides,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,KDYAPQVYJXUQNY-OPHDRXFHSA-N,"InChI=1S/C51H84O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42(53)61-36-39(64-43(54)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-62-50-49(60)47(58)45(56)41(66-50)38-63-51-48(59)46(57)44(55)40(35-52)65-51/h5-8,11-14,17-20,39-41,44-52,55-60H,3-4,9-10,15-16,21-38H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t39-,40-,41-,44+,45+,46+,47+,48-,49-,50-,51+/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C51H84O15,pos_1_1proton1acetonitrile,936.5810219880002,KDYAPQVYJXUQNY,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Ranunculus fluitans,961752.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus fluitans'],6,3,7.5 84654,3181,1594,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,ULSUXBXHSYSGDT-UHFFFAOYSA-N,"InChI=1S/C20H20O7/c1-22-12-8-6-11(7-9-12)14-10-13(21)15-16(23-2)18(24-3)20(26-5)19(25-4)17(15)27-14/h6-10H,1-5H3",COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc1,C20H20O7,pos_1_1proton1methanol,372.1209029799999,ULSUXBXHSYSGDT,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Clematis hexapetala,226633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis hexapetala'],8,3,9.5 84622,3177,814,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CAIGUMKGQLGFBR-PZTMCFHLSA-N,"InChI=1S/C21H20O10/c1-30-16-10-12(4-8-15(16)23)5-9-17(24)31-18(19(25)26)21(29,20(27)28)11-13-2-6-14(22)7-3-13/h2-10,18,22-23,29H,11H2,1H3,(H,25,26)(H,27,28)/b9-5+/t18-,21-/m1/s1",COc1cc(/C=C/C(=O)O[C@H](C(=O)O)[C@](O)(Cc2ccc(O)cc2)C(=O)O)ccc1O,C21H20O10,pos_1_sodium,432.1056468399999,CAIGUMKGQLGFBR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Actaea racemosa,512702.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea racemosa'],6,3,7.5 84623,3177,814,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CAIGUMKGQLGFBR-PZTMCFHLSA-N,"InChI=1S/C21H20O10/c1-30-16-10-12(4-8-15(16)23)5-9-17(24)31-18(19(25)26)21(29,20(27)28)11-13-2-6-14(22)7-3-13/h2-10,18,22-23,29H,11H2,1H3,(H,25,26)(H,27,28)/b9-5+/t18-,21-/m1/s1",COc1cc(/C=C/C(=O)O[C@H](C(=O)O)[C@](O)(Cc2ccc(O)cc2)C(=O)O)ccc1O,C21H20O10,pos_1_sodium,432.1056468399999,CAIGUMKGQLGFBR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Actaea dahurica,462227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea dahurica'],6,3,7.5 84624,3177,814,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CAIGUMKGQLGFBR-PZTMCFHLSA-N,"InChI=1S/C21H20O10/c1-30-16-10-12(4-8-15(16)23)5-9-17(24)31-18(19(25)26)21(29,20(27)28)11-13-2-6-14(22)7-3-13/h2-10,18,22-23,29H,11H2,1H3,(H,25,26)(H,27,28)/b9-5+/t18-,21-/m1/s1",COc1cc(/C=C/C(=O)O[C@H](C(=O)O)[C@](O)(Cc2ccc(O)cc2)C(=O)O)ccc1O,C21H20O10,pos_1_sodium,432.1056468399999,CAIGUMKGQLGFBR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Actaea simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],6,3,7.5 84625,3177,814,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CAIGUMKGQLGFBR-PZTMCFHLSA-N,"InChI=1S/C21H20O10/c1-30-16-10-12(4-8-15(16)23)5-9-17(24)31-18(19(25)26)21(29,20(27)28)11-13-2-6-14(22)7-3-13/h2-10,18,22-23,29H,11H2,1H3,(H,25,26)(H,27,28)/b9-5+/t18-,21-/m1/s1",COc1cc(/C=C/C(=O)O[C@H](C(=O)O)[C@](O)(Cc2ccc(O)cc2)C(=O)O)ccc1O,C21H20O10,pos_1_sodium,432.1056468399999,CAIGUMKGQLGFBR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cimicifuga simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],6,3,7.5 84626,3177,814,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WBGMKAAMRFEBHK-PZTMCFHLSA-N,"InChI=1S/C21H20O10/c1-30-16-8-4-12(10-15(16)23)5-9-17(24)31-18(19(25)26)21(29,20(27)28)11-13-2-6-14(22)7-3-13/h2-10,18,22-23,29H,11H2,1H3,(H,25,26)(H,27,28)/b9-5+/t18-,21-/m1/s1",COc1ccc(/C=C/C(=O)O[C@H](C(=O)O)[C@](O)(Cc2ccc(O)cc2)C(=O)O)cc1O,C21H20O10,pos_1_sodium,432.1056468399999,WBGMKAAMRFEBHK,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Actaea racemosa,512702.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea racemosa'],6,3,7.5 84627,3177,814,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WBGMKAAMRFEBHK-PZTMCFHLSA-N,"InChI=1S/C21H20O10/c1-30-16-8-4-12(10-15(16)23)5-9-17(24)31-18(19(25)26)21(29,20(27)28)11-13-2-6-14(22)7-3-13/h2-10,18,22-23,29H,11H2,1H3,(H,25,26)(H,27,28)/b9-5+/t18-,21-/m1/s1",COc1ccc(/C=C/C(=O)O[C@H](C(=O)O)[C@](O)(Cc2ccc(O)cc2)C(=O)O)cc1O,C21H20O10,pos_1_sodium,432.1056468399999,WBGMKAAMRFEBHK,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Actaea dahurica,462227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea dahurica'],6,3,7.5 84628,3177,814,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WBGMKAAMRFEBHK-PZTMCFHLSA-N,"InChI=1S/C21H20O10/c1-30-16-8-4-12(10-15(16)23)5-9-17(24)31-18(19(25)26)21(29,20(27)28)11-13-2-6-14(22)7-3-13/h2-10,18,22-23,29H,11H2,1H3,(H,25,26)(H,27,28)/b9-5+/t18-,21-/m1/s1",COc1ccc(/C=C/C(=O)O[C@H](C(=O)O)[C@](O)(Cc2ccc(O)cc2)C(=O)O)cc1O,C21H20O10,pos_1_sodium,432.1056468399999,WBGMKAAMRFEBHK,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Actaea simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],6,3,7.5 84652,3177,814,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WBGMKAAMRFEBHK-PZTMCFHLSA-N,"InChI=1S/C21H20O10/c1-30-16-8-4-12(10-15(16)23)5-9-17(24)31-18(19(25)26)21(29,20(27)28)11-13-2-6-14(22)7-3-13/h2-10,18,22-23,29H,11H2,1H3,(H,25,26)(H,27,28)/b9-5+/t18-,21-/m1/s1",COc1ccc(/C=C/C(=O)O[C@H](C(=O)O)[C@](O)(Cc2ccc(O)cc2)C(=O)O)cc1O,C21H20O10,pos_1_sodium,432.1056468399999,WBGMKAAMRFEBHK,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cimicifuga simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],6,3,7.5 84527,3174,79,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.51361793,ISDB,TZAXQHDIMDQXRD-YJQAKTFBSA-N,"InChI=1S/C19H22O5/c1-4-9-18-10-5-6-16(21)19(18,22)24-17(12(18)2)13-7-8-14(20)15(11-13)23-3/h4-8,11-12,17,20,22H,1,9-10H2,2-3H3/t12-,17+,18-,19-/m1/s1",C=CC[C@]12CC=CC(=O)[C@@]1(O)O[C@H](c1ccc(O)c(OC)c1)[C@H]2C,C19H22O5,,330.146723804,TZAXQHDIMDQXRD,Shikimates and Phenylpropanoids,Lignans,Neolignans,Aniba ferrea,6025335.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Aniba'],['Aniba ferrea'],4,3,7.554471731185913 84518,3170,173,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,DPBCFTHDJGXWRI-ZYAMGDOSSA-N,"InChI=1S/C16H26O9/c1-6-7-3-10(19)16(2,14(7)23-5-8(6)18)25-15-13(22)12(21)11(20)9(4-17)24-15/h6-7,9-15,17,19-22H,3-5H2,1-2H3/t6-,7-,9-,10+,11-,12+,13-,14+,15+,16-/m1/s1",C[C@H]1C(=O)CO[C@H]2[C@@H]1C[C@H](O)[C@@]2(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H26O9,pos_1_1proton1ammonium,362.157682412,DPBCFTHDJGXWRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia scabra,68239.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia scabra'],6,3,7.5 84519,3170,173,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,DBLVGADGVDUSHJ-XBNYBDERSA-N,"InChI=1S/C16H26O9/c1-6-7-3-10(18)16(2,8(7)5-23-14(6)22)25-15-13(21)12(20)11(19)9(4-17)24-15/h6-13,15,17-21H,3-5H2,1-2H3/t6-,7-,8+,9-,10+,11-,12+,13-,15+,16+/m1/s1",C[C@H]1C(=O)OC[C@H]2[C@@H]1C[C@H](O)[C@@]2(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H26O9,pos_1_1proton1ammonium,362.157682412,DBLVGADGVDUSHJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia scabra,68239.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia scabra'],6,3,7.5 84520,3170,173,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,DBLVGADGVDUSHJ-RLIMOHGTSA-N,"InChI=1S/C16H26O9/c1-6-7-3-10(18)16(2,8(7)5-23-14(6)22)25-15-13(21)12(20)11(19)9(4-17)24-15/h6-13,15,17-21H,3-5H2,1-2H3/t6-,7+,8-,9-,10+,11-,12+,13-,15+,16+/m1/s1",C[C@H]1C(=O)OC[C@@H]2[C@H]1C[C@H](O)[C@@]2(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H26O9,pos_1_1proton1ammonium,362.157682412,DBLVGADGVDUSHJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia villosa,971855.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia villosa'],6,3,7.5 84521,3170,173,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,RAKWYUWXLTYDQR-LTPIHACHSA-N,"InChI=1S/C16H26O9/c1-6-7-2-10(8(3-17)9(7)5-23-15(6)22)24-16-14(21)13(20)12(19)11(4-18)25-16/h6-14,16-21H,2-5H2,1H3/t6-,7-,8-,9+,10+,11-,12-,13+,14-,16-/m1/s1",C[C@H]1C(=O)OC[C@@H]2[C@@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C[C@@H]21,C16H26O9,pos_1_1proton1ammonium,362.157682412,RAKWYUWXLTYDQR,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia gibbosa,231859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia gibbosa'],6,3,7.5 84522,3170,173,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,ZHEBCILICLSWEG-XBNYBDERSA-N,"InChI=1S/C16H26O9/c1-6-7-3-10(16(2,22)8(7)5-23-14(6)21)25-15-13(20)12(19)11(18)9(4-17)24-15/h6-13,15,17-20,22H,3-5H2,1-2H3/t6-,7-,8+,9-,10+,11-,12+,13-,15+,16+/m1/s1",C[C@H]1C(=O)OC[C@H]2[C@@H]1C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@]2(C)O,C16H26O9,pos_1_1proton1ammonium,362.15768241199993,ZHEBCILICLSWEG,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia scabra,68239.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia scabra'],6,3,7.5 84523,3170,173,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,ZHEBCILICLSWEG-XBNYBDERSA-N,"InChI=1S/C16H26O9/c1-6-7-3-10(16(2,22)8(7)5-23-14(6)21)25-15-13(20)12(19)11(18)9(4-17)24-15/h6-13,15,17-20,22H,3-5H2,1-2H3/t6-,7-,8+,9-,10+,11-,12+,13-,15+,16+/m1/s1",C[C@H]1C(=O)OC[C@H]2[C@@H]1C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@]2(C)O,C16H26O9,pos_1_1proton1ammonium,362.15768241199993,ZHEBCILICLSWEG,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia scabra,68239.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia scabra'],6,3,7.5 84444,3168,161,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,0.0,MS1_match,MJGSNPALXVHNAT-RJEOBRGXSA-N,"InChI=1S/C26H36O4/c1-18-13-14-22(29-19(2)27)25(5)23(16-21-17-26(18,25)30-24(21,3)4)28-15-9-12-20-10-7-6-8-11-20/h6-12,18,21-23H,13-17H2,1-5H3/b12-9+/t18-,21-,22+,23+,25+,26+/m1/s1",CC(=O)O[C@H]1CC[C@@H](C)[C@@]23C[C@@H](C[C@H](OC/C=C/c4ccccc4)[C@]12C)C(C)(C)O3,C26H36O4,pos_2_2proton,412.261359632,MJGSNPALXVHNAT,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Celastrus orbiculatus,56757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Celastrus'],['Celastrus orbiculatus'],6,3,7.5 84442,3167,-1,,,,0.0,MS1_match,OUWXZGMEFZQYEK-WQLSENKSSA-N,"InChI=1S/C16H24O2/c1-9-5-6-13(8-12(4)16(17)18)15-11(3)7-10(2)14(9)15/h8-10,13-14H,5-7H2,1-4H3,(H,17,18)/b12-8-",CC1=C2C(/C=C(/C)C(=O)O)CCC(C)C2C(C)C1,C16H24O2,pos_2_1proton1sodium,248.177630008,OUWXZGMEFZQYEK,Terpenoids,Sesquiterpenoids,Valerenane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 84441,3165,332,Terpenoids,Fatty acyls,Fatty aldehydes,0.2754419,ISDB,,,,,,,OSBHHXSYNQKADV,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.101767659187317 83579,3164,265,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.33317453,ISDB,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,3,8.832698106765747 83560,3163,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RTATXGUCZHCSNG-QHWHWDPRSA-N,"InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O15,pos_1_1proton,594.15847026,RTATXGUCZHCSNG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Clematis terniflora,21289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis terniflora'],8,3,9.5 83558,3161,1046,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,0.2310984,ISDB,FQIADTNEIOLURP-GRLWGSQLSA-N,"InChI=1S/C14H19NO5/c1-18-10-3-5-15-11(6-10)14-7-9(16)2-4-13(14,20-15)8-12(17)19-14/h2,4,9-11,16H,3,5-8H2,1H3/t9-,10-,11-,13-,14-/m0/s1",CO[C@H]1CCN2O[C@]34C=C[C@H](O)C[C@]3(OC(=O)C4)[C@@H]2C1,C14H19NO5,,281.12632270800003,FQIADTNEIOLURP,Alkaloids,,,Flueggea suffruticosa,351504.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Flueggea'],['Flueggea suffruticosa'],4,0,4.924393594264984 83556,3158,-1,,,,0.0,MS1_match,SUGOCCUAKZVLFE-SDTHRHJYSA-N,"InChI=1S/C19H28O10/c1-2-3-6-27-18(26)12(22)8-10-4-5-13(11(21)7-10)28-19-17(25)16(24)15(23)14(9-20)29-19/h4-5,7,12,14-17,19-25H,2-3,6,8-9H2,1H3/t12-,14-,15-,16+,17-,19-/m1/s1",CCCCOC(=O)[C@H](O)Cc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1,C19H28O10,pos_1_1potassium,416.168247096,SUGOCCUAKZVLFE,,,,Ranunculus chinensis,162150.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus chinensis'],6,0,6.0 83557,3158,-1,,,,0.0,MS1_match,SUGOCCUAKZVLFE-SDTHRHJYSA-N,"InChI=1S/C19H28O10/c1-2-3-6-27-18(26)12(22)8-10-4-5-13(11(21)7-10)28-19-17(25)16(24)15(23)14(9-20)29-19/h4-5,7,12,14-17,19-25H,2-3,6,8-9H2,1H3/t12-,14-,15-,16+,17-,19-/m1/s1",CCCCOC(=O)[C@H](O)Cc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1,C19H28O10,pos_1_1potassium,416.168247096,SUGOCCUAKZVLFE,,,,Ranunculus cantoniensis,118756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus cantoniensis'],6,0,6.0 83543,3156,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,KZNIFHPLKGYRTM-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O5,pos_1_1proton,270.05282342,KZNIFHPLKGYRTM,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Valeriana rossica,6061718.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana rossica'],6,2,7.0 83544,3156,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,KZNIFHPLKGYRTM-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O5,pos_1_1proton,270.05282342,KZNIFHPLKGYRTM,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Valeriana amurensis,245959.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana amurensis'],6,2,7.0 83545,3156,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,KZNIFHPLKGYRTM-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O5,pos_1_1proton,270.05282342,KZNIFHPLKGYRTM,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Valeriana cardamines,6061598.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana cardamines'],6,2,7.0 83546,3156,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,KZNIFHPLKGYRTM-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O5,pos_1_1proton,270.05282342,KZNIFHPLKGYRTM,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Valeriana eriophylla,6061633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana eriophylla'],6,2,7.0 83547,3156,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,KZNIFHPLKGYRTM-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O5,pos_1_1proton,270.05282342,KZNIFHPLKGYRTM,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Lomelosia caucasica,994163.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lomelosia'],['Lomelosia caucasica'],6,2,7.0 83548,3156,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,KZNIFHPLKGYRTM-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O5,pos_1_1proton,270.05282342,KZNIFHPLKGYRTM,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Valeriana ficariifolia,5746450.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana ficariifolia'],6,2,7.0 83549,3156,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,KZNIFHPLKGYRTM-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O5,pos_1_1proton,270.05282342,KZNIFHPLKGYRTM,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Valeriana chionophila,6061606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana chionophila'],6,2,7.0 83550,3156,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,KZNIFHPLKGYRTM-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O5,pos_1_1proton,270.05282342,KZNIFHPLKGYRTM,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Valeriana fedtschenkoi,139316.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana longiflora'],6,2,7.0 83551,3156,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,KZNIFHPLKGYRTM-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O5,pos_1_1proton,270.05282342,KZNIFHPLKGYRTM,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cephalaria procera,6061197.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Cephalaria'],['Cephalaria procera'],6,2,7.0 83552,3156,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,KZNIFHPLKGYRTM-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O5,pos_1_1proton,270.05282342,KZNIFHPLKGYRTM,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cephalaria kotschyi,6061197.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Cephalaria'],['Cephalaria procera'],6,2,7.0 83553,3156,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,KZNIFHPLKGYRTM-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O5,pos_1_1proton,270.05282342,KZNIFHPLKGYRTM,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Abelia chinensis,589178.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Abelia'],['Abelia chinensis'],6,2,7.0 83554,3156,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,KZNIFHPLKGYRTM-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O5,pos_1_1proton,270.05282342,KZNIFHPLKGYRTM,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Knautia tatarica,5512969.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Knautia'],['Knautia montana'],6,2,7.0 83555,3156,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,KZNIFHPLKGYRTM-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O5,pos_1_1proton,270.05282342,KZNIFHPLKGYRTM,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Knautia montana,5512969.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Knautia'],['Knautia montana'],6,2,7.0 83528,3154,-1,,,,0.0,MS1_match,RSYUFYQTACJFML-UKRRQHHQSA-N,"InChI=1S/C15H14O5/c16-9-3-1-8(2-4-9)15-13(19)7-11-12(18)5-10(17)6-14(11)20-15/h1-6,13,15-19H,7H2/t13-,15-/m1/s1",Oc1ccc([C@H]2Oc3cc(O)cc(O)c3C[C@H]2O)cc1,C15H14O5,pos_1_1proton,274.084123548,RSYUFYQTACJFML,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Celastrus orbiculatus,56757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Celastrus'],['Celastrus orbiculatus'],6,0,6.0 83529,3154,-1,,,,0.0,MS1_match,RSYUFYQTACJFML-UKRRQHHQSA-N,"InChI=1S/C15H14O5/c16-9-3-1-8(2-4-9)15-13(19)7-11-12(18)5-10(17)6-14(11)20-15/h1-6,13,15-19H,7H2/t13-,15-/m1/s1",Oc1ccc([C@H]2Oc3cc(O)cc(O)c3C[C@H]2O)cc1,C15H14O5,pos_1_1proton,274.084123548,RSYUFYQTACJFML,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Celastrus paniculatus,561287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Celastrus'],['Celastrus paniculatus'],6,0,6.0 83530,3154,-1,,,,0.0,MS1_match,VGEREEWJJVICBM-UHFFFAOYSA-N,"InChI=1S/C15H14O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-2,4-5,7-8,16-17,19-20H,3,6H2",O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O,C15H14O5,pos_1_1proton,274.084123548,VGEREEWJJVICBM,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Tripterygium wilfordii,300831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium wilfordii'],6,0,6.0 83523,3149,-1,,,,0.0,MS1_match,YMKQLZWZRFMJBN-UHFFFAOYSA-N,"InChI=1S/C21H26O11/c1-21(2,28)14-4-9-11(31-14)5-12-15(16(9)24)10(23)3-8(30-12)7-29-20-19(27)18(26)17(25)13(6-22)32-20/h3,5,13-14,17-20,22,24-28H,4,6-7H2,1-2H3",CC(C)(O)C1Cc2c(cc3oc(COC4OC(CO)C(O)C(O)C4O)cc(=O)c3c2O)O1,C21H26O11,pos_1_1proton2acetonitrile,454.147511652,YMKQLZWZRFMJBN,Polyketides,Chromanes,Chromones,Actaea cimicifuga,988720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea cimicifuga'],6,0,6.0 83524,3149,-1,,,,0.0,MS1_match,YMKQLZWZRFMJBN-UHFFFAOYSA-N,"InChI=1S/C21H26O11/c1-21(2,28)14-4-9-11(31-14)5-12-15(16(9)24)10(23)3-8(30-12)7-29-20-19(27)18(26)17(25)13(6-22)32-20/h3,5,13-14,17-20,22,24-28H,4,6-7H2,1-2H3",CC(C)(O)C1Cc2c(cc3oc(COC4OC(CO)C(O)C(O)C4O)cc(=O)c3c2O)O1,C21H26O11,pos_1_1proton2acetonitrile,454.147511652,YMKQLZWZRFMJBN,Polyketides,Chromanes,Chromones,Actaea elata,988729.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea elata'],6,0,6.0 83525,3149,-1,,,,0.0,MS1_match,PBHOYFHVNTVOLB-JEQBVLSKSA-N,"InChI=1S/C21H26O11/c1-9(8-30-21-19(29)18(28)17(27)15(7-23)32-21)2-3-11-12(24)5-14(26)16-13(25)4-10(6-22)31-20(11)16/h2,4-5,15,17-19,21-24,26-29H,3,6-8H2,1H3/b9-2+/t15-,17-,18+,19-,21-/m1/s1",C/C(=C\Cc1c(O)cc(O)c2c(=O)cc(CO)oc12)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C21H26O11,pos_1_1proton2acetonitrile,454.147511652,PBHOYFHVNTVOLB,Polyketides,Chromanes,Chromones,Eranthis hyemalis,756503.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Eranthis'],['Eranthis hyemalis'],6,0,6.0 83526,3149,-1,,,,0.0,MS1_match,GWJOORMJFDUWLC-JEQBVLSKSA-N,"InChI=1S/C21H26O11/c1-9(6-22)2-3-11-14(31-21-19(29)18(28)17(27)15(8-24)32-21)5-13(26)16-12(25)4-10(7-23)30-20(11)16/h2,4-5,15,17-19,21-24,26-29H,3,6-8H2,1H3/b9-2+/t15-,17-,18+,19-,21-/m1/s1",C/C(=C\Cc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c2c(=O)cc(CO)oc12)CO,C21H26O11,pos_1_1proton2acetonitrile,454.147511652,GWJOORMJFDUWLC,Polyketides,Chromanes,Chromones,Eranthis cilicica,5922989.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Eranthis'],['Eranthis cilicica'],6,0,6.0 83527,3149,-1,,,,0.0,MS1_match,GWJOORMJFDUWLC-JEQBVLSKSA-N,"InChI=1S/C21H26O11/c1-9(6-22)2-3-11-14(31-21-19(29)18(28)17(27)15(8-24)32-21)5-13(26)16-12(25)4-10(7-23)30-20(11)16/h2,4-5,15,17-19,21-24,26-29H,3,6-8H2,1H3/b9-2+/t15-,17-,18+,19-,21-/m1/s1",C/C(=C\Cc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c2c(=O)cc(CO)oc12)CO,C21H26O11,pos_1_1proton2acetonitrile,454.147511652,GWJOORMJFDUWLC,Polyketides,Chromanes,Chromones,Eranthis hyemalis,756503.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Eranthis'],['Eranthis hyemalis'],6,0,6.0 83513,3148,73,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.40602916,ISDB,FSMNQWHKVQFXMJ-NRYKUPCLSA-N,"InChI=1S/C36H54O11/c1-31(30(44)45)15-19-18-7-8-21-33(3)11-10-23(46-29-26(41)24(39)25(40)27(47-29)28(42)43)34(4,17-37)20(33)9-12-36(21,6)35(18,5)14-13-32(19,2)22(38)16-31/h7,19-21,23-27,29,37,39-41H,8-17H2,1-6H3,(H,42,43)(H,44,45)/t19-,20+,21+,23-,24-,25-,26+,27-,29+,31-,32+,33-,34+,35+,36+/m0/s1",C[C@@]1(C(=O)O)CC(=O)[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C36H54O11,,662.366612548,FSMNQWHKVQFXMJ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Trifolium repens,116218.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Trifolium'],['Trifolium repens'],4,3,7.124116659164429 83511,3144,943,Terpenoids,Triterpenoids,Cycloartane triterpenoids,0.0,MS1_match,AYNPTULQRUYIBL-KDSRJQFPSA-N,"InChI=1S/C39H64O9/c1-9-10-17-45-34(5,6)30-23-18-21(2)29-35(7)15-16-38-20-37(38)14-13-26(46-31-28(42)27(41)22(40)19-44-31)33(3,4)24(37)11-12-25(38)36(35,8)32(43)39(29,47-23)48-30/h21-32,40-43H,9-20H2,1-8H3/t21-,22-,23-,24+,25+,26+,27+,28-,29-,30+,31+,32-,35-,36-,37-,38+,39+/m1/s1",CCCCOC(C)(C)[C@H]1O[C@@]23O[C@@H]1C[C@@H](C)[C@@H]2[C@@]1(C)CC[C@@]24C[C@@]25CC[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@@H]5CC[C@H]4[C@]1(C)[C@H]3O,C39H64O9,pos_1_1proton,676.455033628,AYNPTULQRUYIBL,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Actaea yunnanensis,512689.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea yunnanensis'],6,3,7.5 83509,3141,-1,,,,0.0,MS1_match,UTUISHMYVAZILQ-UHFFFAOYSA-N,"InChI=1S/C30H26O12/c31-14-24-29(42-25(36)10-3-15-1-6-17(32)7-2-15)27(37)28(38)30(41-24)39-19-11-20(34)26-21(35)13-22(40-23(26)12-19)16-4-8-18(33)9-5-16/h1-13,24,27-34,37-38H,14H2",O=C(C=Cc1ccc(O)cc1)OC1C(CO)OC(Oc2cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc3c2)C(O)C1O,C30H26O12,pos_1_sodium,578.142426272,UTUISHMYVAZILQ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Clematis terniflora,21289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis terniflora'],9,0,9.0 83507,3140,205,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,LHSMCOYXDSMPQS-ULBWLWKQSA-N,"InChI=1S/C21H27NO4/c1-9-5-20-6-11(23)16-19(2)8-22(3)17-14(20)15(25)10(9)4-13(20)21(16,17)7-12(24)18(19)26/h10,12-14,16-18,24,26H,1,4-8H2,2-3H3/t10-,12+,13+,14+,16+,17+,18+,19-,20+,21+/m0/s1",C=C1C[C@]23CC(=O)[C@@H]4[C@]5(C)CN(C)[C@@H]6[C@H]2C(=O)[C@H]1C[C@H]3[C@]46C[C@@H](O)[C@H]5O,C21H27NO4,pos_1_1proton,357.194008344,LHSMCOYXDSMPQS,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium albiflorum,6131751.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium albiflorum'],6,1,6.5 83508,3140,205,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,LHSMCOYXDSMPQS-UHFFFAOYSA-N,"InChI=1S/C21H27NO4/c1-9-5-20-6-11(23)16-19(2)8-22(3)17-14(20)15(25)10(9)4-13(20)21(16,17)7-12(24)18(19)26/h10,12-14,16-18,24,26H,1,4-8H2,2-3H3",C=C1CC23CC(=O)C4C5(C)CN(C)C6C2C(=O)C1CC3C64CC(O)C5O,C21H27NO4,pos_1_1proton,357.194008344,LHSMCOYXDSMPQS,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum heterophyllum,124446.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum heterophyllum'],6,1,6.5 83504,3139,-1,,,,0.25717783,ISDB,MJOZYOYVRKCTGK-LPJNGZMXSA-N,"InChI=1S/C16H20O10/c17-7-16(24)15(23)13(22)14(26-16)11(20)6-25-12(21)4-2-8-1-3-9(18)10(19)5-8/h1-5,11,13-15,17-20,22-24H,6-7H2/b4-2+/t11-,13-,14-,15+,16-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@@H](O)[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O,C16H20O10,,372.10564684,MJOZYOYVRKCTGK,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Nyssa sylvatica,671013.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Nyssaceae'],['Unknown'],['Nyssa'],['Nyssa sylvatica'],4,0,5.028711318969727 83484,3138,-1,,,,0.0,MS1_match,UTECWQIXBMWRRR-QXHWVZJPSA-N,"InChI=1S/C27H30O17/c28-6-14-17(34)19(36)21(38)26(41-14)43-24-15(7-29)42-27(22(39)20(24)37)44-25-18(35)16-12(33)4-9(30)5-13(16)40-23(25)8-1-2-10(31)11(32)3-8/h1-5,14-15,17,19-22,24,26-34,36-39H,6-7H2/t14-,15-,17-,19+,20-,21-,22-,24-,26+,27+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_sodium,626.1482995000001,UTECWQIXBMWRRR,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus biternatus,692884.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus biternatus'],6,0,6.0 83485,3138,-1,,,,0.0,MS1_match,RDUAJIJVNHKTQC-UJECXLDQSA-N,"InChI=1S/C27H30O17/c28-6-14-17(34)20(37)22(39)26(41-14)44-25-21(38)18(35)15(7-29)42-27(25)43-24-19(36)16-12(33)4-9(30)5-13(16)40-23(24)8-1-2-10(31)11(32)3-8/h1-5,14-15,17-18,20-22,25-35,37-39H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,25-,26+,27+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_sodium,626.1482995,RDUAJIJVNHKTQC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus sphaerospermus,1033259.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus sphaerospermus'],6,0,6.0 83486,3138,-1,,,,0.0,MS1_match,RDUAJIJVNHKTQC-UJECXLDQSA-N,"InChI=1S/C27H30O17/c28-6-14-17(34)20(37)22(39)26(41-14)44-25-21(38)18(35)15(7-29)42-27(25)43-24-19(36)16-12(33)4-9(30)5-13(16)40-23(24)8-1-2-10(31)11(32)3-8/h1-5,14-15,17-18,20-22,25-35,37-39H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,25-,26+,27+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_sodium,626.1482995,RDUAJIJVNHKTQC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus aquatilis var. diffusus,5264025.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus aquatilis'],6,0,6.0 83487,3138,-1,,,,0.0,MS1_match,RDUAJIJVNHKTQC-UJECXLDQSA-N,"InChI=1S/C27H30O17/c28-6-14-17(34)20(37)22(39)26(41-14)44-25-21(38)18(35)15(7-29)42-27(25)43-24-19(36)16-12(33)4-9(30)5-13(16)40-23(24)8-1-2-10(31)11(32)3-8/h1-5,14-15,17-18,20-22,25-35,37-39H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,25-,26+,27+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_sodium,626.1482995,RDUAJIJVNHKTQC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus aquatilis,491491.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus aquatilis'],6,0,6.0 83488,3138,-1,,,,0.0,MS1_match,RDUAJIJVNHKTQC-UJECXLDQSA-N,"InChI=1S/C27H30O17/c28-6-14-17(34)20(37)22(39)26(41-14)44-25-21(38)18(35)15(7-29)42-27(25)43-24-19(36)16-12(33)4-9(30)5-13(16)40-23(24)8-1-2-10(31)11(32)3-8/h1-5,14-15,17-18,20-22,25-35,37-39H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,25-,26+,27+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_sodium,626.1482995,RDUAJIJVNHKTQC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus penicillatus,492327.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus penicillatus'],6,0,6.0 83489,3138,-1,,,,0.0,MS1_match,RDUAJIJVNHKTQC-UJECXLDQSA-N,"InChI=1S/C27H30O17/c28-6-14-17(34)20(37)22(39)26(41-14)44-25-21(38)18(35)15(7-29)42-27(25)43-24-19(36)16-12(33)4-9(30)5-13(16)40-23(24)8-1-2-10(31)11(32)3-8/h1-5,14-15,17-18,20-22,25-35,37-39H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,25-,26+,27+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_sodium,626.1482995,RDUAJIJVNHKTQC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus fluitans,961752.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus fluitans'],6,0,6.0 83490,3138,-1,,,,0.0,MS1_match,RDUAJIJVNHKTQC-UJECXLDQSA-N,"InChI=1S/C27H30O17/c28-6-14-17(34)20(37)22(39)26(41-14)44-25-21(38)18(35)15(7-29)42-27(25)43-24-19(36)16-12(33)4-9(30)5-13(16)40-23(24)8-1-2-10(31)11(32)3-8/h1-5,14-15,17-18,20-22,25-35,37-39H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,25-,26+,27+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_sodium,626.1482995,RDUAJIJVNHKTQC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus peltatus,816424.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus peltatus'],6,0,6.0 83491,3138,-1,,,,0.0,MS1_match,RDUAJIJVNHKTQC-UJECXLDQSA-N,"InChI=1S/C27H30O17/c28-6-14-17(34)20(37)22(39)26(41-14)44-25-21(38)18(35)15(7-29)42-27(25)43-24-19(36)16-12(33)4-9(30)5-13(16)40-23(24)8-1-2-10(31)11(32)3-8/h1-5,14-15,17-18,20-22,25-35,37-39H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,25-,26+,27+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_sodium,626.1482995,RDUAJIJVNHKTQC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus rionii,593374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus rionii'],6,0,6.0 83492,3138,-1,,,,0.0,MS1_match,BNSCASRSSGJHQH-DEFKTLOSSA-N,"InChI=1S/C27H30O17/c28-6-14-17(33)20(36)22(38)26(42-14)40-9-4-12(32)16-13(5-9)41-24(8-1-2-10(30)11(31)3-8)25(19(16)35)44-27-23(39)21(37)18(34)15(7-29)43-27/h1-5,14-15,17-18,20-23,26-34,36-39H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,23-,26-,27+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C27H30O17,pos_1_sodium,626.1482995,BNSCASRSSGJHQH,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus peltatus,816424.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus peltatus'],6,0,6.0 83493,3138,-1,,,,0.0,MS1_match,BNSCASRSSGJHQH-DEFKTLOSSA-N,"InChI=1S/C27H30O17/c28-6-14-17(33)20(36)22(38)26(42-14)40-9-4-12(32)16-13(5-9)41-24(8-1-2-10(30)11(31)3-8)25(19(16)35)44-27-23(39)21(37)18(34)15(7-29)43-27/h1-5,14-15,17-18,20-23,26-34,36-39H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,23-,26-,27+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C27H30O17,pos_1_sodium,626.1482995,BNSCASRSSGJHQH,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus peltatus,816424.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus peltatus'],6,0,6.0 83494,3138,-1,,,,0.0,MS1_match,FDRQPMVGJOQVTL-DEFKTLOSSA-N,"InChI=1S/C27H30O17/c28-6-14-17(33)20(36)22(38)26(42-14)40-7-15-18(34)21(37)23(39)27(43-15)44-25-19(35)16-12(32)4-9(29)5-13(16)41-24(25)8-1-2-10(30)11(31)3-8/h1-5,14-15,17-18,20-23,26-34,36-39H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,23-,26-,27+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_sodium,626.1482995,FDRQPMVGJOQVTL,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus moseleyi,6132641.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus moseleyi'],6,0,6.0 83495,3138,-1,,,,0.0,MS1_match,FDRQPMVGJOQVTL-DEFKTLOSSA-N,"InChI=1S/C27H30O17/c28-6-14-17(33)20(36)22(38)26(42-14)40-7-15-18(34)21(37)23(39)27(43-15)44-25-19(35)16-12(32)4-9(29)5-13(16)41-24(25)8-1-2-10(30)11(31)3-8/h1-5,14-15,17-18,20-23,26-34,36-39H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,23-,26-,27+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_sodium,626.1482995,FDRQPMVGJOQVTL,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus biternatus,692884.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus biternatus'],6,0,6.0 83496,3138,-1,,,,0.0,MS1_match,FDRQPMVGJOQVTL-DEFKTLOSSA-N,"InChI=1S/C27H30O17/c28-6-14-17(33)20(36)22(38)26(42-14)40-7-15-18(34)21(37)23(39)27(43-15)44-25-19(35)16-12(32)4-9(29)5-13(16)41-24(25)8-1-2-10(30)11(31)3-8/h1-5,14-15,17-18,20-23,26-34,36-39H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,23-,26-,27+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_sodium,626.1482995,FDRQPMVGJOQVTL,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus pseudotrullifolius,456902.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus pseudotrullifolius'],6,0,6.0 83497,3138,-1,,,,0.0,MS1_match,UTECWQIXBMWRRR-QXHWVZJPSA-N,"InChI=1S/C27H30O17/c28-6-14-17(34)19(36)21(38)26(41-14)43-24-15(7-29)42-27(22(39)20(24)37)44-25-18(35)16-12(33)4-9(30)5-13(16)40-23(25)8-1-2-10(31)11(32)3-8/h1-5,14-15,17,19-22,24,26-34,36-39H,6-7H2/t14-,15-,17-,19+,20-,21-,22-,24-,26+,27+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_sodium,626.1482995000001,UTECWQIXBMWRRR,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus moseleyi,6132641.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus moseleyi'],6,0,6.0 83498,3138,-1,,,,0.0,MS1_match,UTECWQIXBMWRRR-QXHWVZJPSA-N,"InChI=1S/C27H30O17/c28-6-14-17(34)19(36)21(38)26(41-14)43-24-15(7-29)42-27(22(39)20(24)37)44-25-18(35)16-12(33)4-9(30)5-13(16)40-23(25)8-1-2-10(31)11(32)3-8/h1-5,14-15,17,19-22,24,26-34,36-39H,6-7H2/t14-,15-,17-,19+,20-,21-,22-,24-,26+,27+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_sodium,626.1482995000001,UTECWQIXBMWRRR,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus pseudotrullifolius,456902.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus pseudotrullifolius'],6,0,6.0 83499,3138,-1,,,,0.0,MS1_match,UTECWQIXBMWRRR-QXHWVZJPSA-N,"InChI=1S/C27H30O17/c28-6-14-17(34)19(36)21(38)26(41-14)43-24-15(7-29)42-27(22(39)20(24)37)44-25-18(35)16-12(33)4-9(30)5-13(16)40-23(25)8-1-2-10(31)11(32)3-8/h1-5,14-15,17,19-22,24,26-34,36-39H,6-7H2/t14-,15-,17-,19+,20-,21-,22-,24-,26+,27+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_sodium,626.1482995000001,UTECWQIXBMWRRR,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus biternatus,692884.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus biternatus'],6,0,6.0 83500,3138,-1,,,,0.0,MS1_match,UTECWQIXBMWRRR-QXHWVZJPSA-N,"InChI=1S/C27H30O17/c28-6-14-17(34)19(36)21(38)26(41-14)43-24-15(7-29)42-27(22(39)20(24)37)44-25-18(35)16-12(33)4-9(30)5-13(16)40-23(25)8-1-2-10(31)11(32)3-8/h1-5,14-15,17,19-22,24,26-34,36-39H,6-7H2/t14-,15-,17-,19+,20-,21-,22-,24-,26+,27+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_sodium,626.1482995000001,UTECWQIXBMWRRR,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus moseleyi,6132641.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus moseleyi'],6,0,6.0 83501,3138,-1,,,,0.0,MS1_match,UTECWQIXBMWRRR-QXHWVZJPSA-N,"InChI=1S/C27H30O17/c28-6-14-17(34)19(36)21(38)26(41-14)43-24-15(7-29)42-27(22(39)20(24)37)44-25-18(35)16-12(33)4-9(30)5-13(16)40-23(25)8-1-2-10(31)11(32)3-8/h1-5,14-15,17,19-22,24,26-34,36-39H,6-7H2/t14-,15-,17-,19+,20-,21-,22-,24-,26+,27+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_sodium,626.1482995000001,UTECWQIXBMWRRR,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus pseudotrullifolius,456902.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus pseudotrullifolius'],6,0,6.0 83502,3138,-1,,,,0.0,MS1_match,RDUAJIJVNHKTQC-UJECXLDQSA-N,"InChI=1S/C27H30O17/c28-6-14-17(34)20(37)22(39)26(41-14)44-25-21(38)18(35)15(7-29)42-27(25)43-24-19(36)16-12(33)4-9(30)5-13(16)40-23(24)8-1-2-10(31)11(32)3-8/h1-5,14-15,17-18,20-22,25-35,37-39H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,25-,26+,27+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_sodium,626.1482995,RDUAJIJVNHKTQC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus hederaceus,566818.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus hederaceus'],6,0,6.0 83503,3138,-1,,,,0.0,MS1_match,RDUAJIJVNHKTQC-IROKYFGSSA-N,"InChI=1S/C27H30O17/c28-6-14-17(34)20(37)22(39)26(41-14)44-25-21(38)18(35)15(7-29)42-27(25)43-24-19(36)16-12(33)4-9(30)5-13(16)40-23(24)8-1-2-10(31)11(32)3-8/h1-5,14-15,17-18,20-22,25-35,37-39H,6-7H2/t14?,15?,17-,18-,20?,21?,22-,25?,26+,27+/m1/s1",O=c1c(O[C@@H]2OC(CO)[C@@H](O)C(O)C2O[C@@H]2OC(CO)[C@@H](O)C(O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_sodium,626.1482995,RDUAJIJVNHKTQC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus ololeucos,566818.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus hederaceus'],6,0,6.0 83483,3134,84,,,,0.5306867,ISDB,,,,,,,OUCPDSRDBUTGPQ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.122746706008911 83481,3133,1100,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,0.0,MS1_match,AOCLIMDHBMBYGD-NQWMYEDTSA-N,"InChI=1S/C16H28O2/c1-10-8-12(17)13-15(10,4)9-11-6-7-16(13,5)18-14(11,2)3/h10-13,17H,6-9H2,1-5H3/t10-,11-,12-,13-,15-,16+/m1/s1",C[C@@H]1C[C@@H](O)[C@@H]2[C@]1(C)C[C@H]1CC[C@]2(C)OC1(C)C,C16H28O2,pos_2_1proton1sodium,252.208930136,AOCLIMDHBMBYGD,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,3,7.5 83480,3132,-1,,,,0.0,MS1_match,ACAYJUFAIJJELS-SDQBBNPISA-N,"InChI=1S/C14H15NO2/c1-9(2)4-6-12-11-7-5-10(17-3)8-13(11)15-14(12)16/h4-8H,1-3H3,(H,15,16)/b12-6-",COc1ccc2c(c1)NC(=O)/C2=C\C=C(C)C,C14H15NO2,pos_2_2proton1acetonitrile,229.11027872,ACAYJUFAIJJELS,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Actaea vaginata,512706.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea vaginata'],6,0,6.0 83478,3129,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,DAUAQNGYDSHRET-UHFFFAOYSA-N,"InChI=1S/C9H10O4/c1-12-7-4-3-6(9(10)11)5-8(7)13-2/h3-5H,1-2H3,(H,10,11)",COc1ccc(C(=O)O)cc1OC,C9H10O4,pos_2MH,182.0579088,DAUAQNGYDSHRET,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Trollius chinensis,877307.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Adonideae'],['Trollius'],['Trollius chinensis'],6,0,6.0 83479,3129,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,GPVDHNVGGIAOQT-UHFFFAOYSA-N,"InChI=1S/C9H10O4/c1-12-6-3-4-7(9(10)11)8(5-6)13-2/h3-5H,1-2H3,(H,10,11)",COc1ccc(C(=O)O)c(OC)c1,C9H10O4,pos_2MH,182.0579088,GPVDHNVGGIAOQT,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Aconitum kongboense,723190.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum kongboense'],6,0,6.0 83475,3119,-1,,,,0.0,MS1_match,JUJTUEBXXGRSJB-MTAKFWDWSA-N,"InChI=1S/C17H26O9/c1-3-9-10-4-12(22-2)23-6-8(10)7-24-16(9)26-17-15(21)14(20)13(19)11(5-18)25-17/h3,7,9-21H,1,4-6H2,2H3/t9-,10-,11-,12-,13-,14+,15-,16+,17+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2CO[C@@H](OC)C[C@H]21,C17H26O9,pos_1_1proton1methanol,374.1576824119999,JUJTUEBXXGRSJB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 83474,3117,-1,,,,0.20481864,ISDB,,,,,,,IGOSTOCJEXIQIA,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.8192745447158813 83214,3116,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.25085425,ISDB,SBMFUYVWTXYRCJ-WQANCUIESA-N,"InChI=1S/C30H50O4/c1-18(2)7-8-20(32)19(3)25-21(33)15-28(6)23-10-9-22-26(4,17-31)24(34)11-12-29(22)16-30(23,29)14-13-27(25,28)5/h7,19-25,31-34H,8-17H2,1-6H3/t19-,20+,21+,22+,23+,24+,25+,26+,27-,28+,29-,30+/m1/s1",CC(C)=CC[C@H](O)[C@@H](C)[C@H]1[C@@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@](C)(CO)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C,C30H50O4,,474.37091008,SBMFUYVWTXYRCJ,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Thalictrum minus,491705.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum minus'],6,1,7.503417015075684 83202,3113,64,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,KEFSSCNIGGZESY-LHEBDDKOSA-N,"InChI=1S/C32H40O13/c1-7-17(2)26(35)44-25-22(42-27(36)19-8-10-39-14-19)13-30(6,38)32-24(34)21(29(4,5)45-32)12-23(31(25,32)16-41-18(3)33)43-28(37)20-9-11-40-15-20/h8-11,14-15,17,21-25,34,38H,7,12-13,16H2,1-6H3/t17-,21-,22+,23+,24-,25+,30+,31-,32+/m1/s1",CC[C@@H](C)C(=O)O[C@H]1[C@@H](OC(=O)c2ccoc2)C[C@](C)(O)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)c4ccoc4)[C@]12COC(C)=O)[C@H]3O,C32H40O13,pos_2_1proton1sodium,632.24689134,KEFSSCNIGGZESY,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Euonymus europaeus,806632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus europaeus'],8,0,8.0 83203,3113,64,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,CQFLWUBGIUDNJS-UHFFFAOYSA-N,"InChI=1S/C32H40O13/c1-16-14-23(40-18(3)34)26(41-19(4)35)31(15-39-17(2)33)28(43-21(6)37)25(44-29(38)22-12-10-9-11-13-22)24-27(42-20(5)36)32(16,31)45-30(24,7)8/h9-13,16,23-28H,14-15H2,1-8H3",CC(=O)OCC12C(OC(C)=O)C(OC(C)=O)CC(C)C13OC(C)(C)C(C(OC(=O)c1ccccc1)C2OC(C)=O)C3OC(C)=O,C32H40O13,pos_2_1proton1sodium,632.24689134,CQFLWUBGIUDNJS,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Euonymus europaeus,806632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus europaeus'],8,0,8.0 83204,3113,64,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,CQFLWUBGIUDNJS-UHFFFAOYSA-N,"InChI=1S/C32H40O13/c1-16-14-23(40-18(3)34)26(41-19(4)35)31(15-39-17(2)33)28(43-21(6)37)25(44-29(38)22-12-10-9-11-13-22)24-27(42-20(5)36)32(16,31)45-30(24,7)8/h9-13,16,23-28H,14-15H2,1-8H3",CC(=O)OCC12C(OC(C)=O)C(OC(C)=O)CC(C)C13OC(C)(C)C(C(OC(=O)c1ccccc1)C2OC(C)=O)C3OC(C)=O,C32H40O13,pos_2_1proton1sodium,632.24689134,CQFLWUBGIUDNJS,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Euonymus europaeus,806632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus europaeus'],8,0,8.0 83201,3112,-1,,,,0.0,MS1_match,YXWUKVNWHJHQJJ-MIWXEKCFSA-N,"InChI=1S/C20H30O12/c1-8-13(23)15(25)17(27)19(30-8)29-7-12-14(24)16(26)18(28)20(32-12)31-11-6-9(4-5-21)2-3-10(11)22/h2-3,6,8,12-28H,4-5,7H2,1H3/t8-,12+,13-,14+,15+,16-,17+,18+,19+,20+/m1/s1",C[C@H]1O[C@H](OC[C@@H]2O[C@H](Oc3cc(CCO)ccc3O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O,C20H30O12,pos_1_1proton1ammonium,462.1737264,YXWUKVNWHJHQJJ,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Clematis terniflora var. mandshurica,446556.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis terniflora'],8,0,8.0 83198,3110,-1,,,,0.0,MS1_match,KTFFOTYEMQOLKB-HQRXZHMLSA-N,"InChI=1S/C31H36O14/c1-16(32)40-15-30-21(43-26(35)19-8-11-38-13-19)7-10-29(6,37)31(30)24(42-18(3)34)22(28(4,5)45-31)23(41-17(2)33)25(30)44-27(36)20-9-12-39-14-20/h8-9,11-14,21-25,37H,7,10,15H2,1-6H3/t21-,22+,23+,24+,25+,29-,30-,31-/m0/s1",CC(=O)OC[C@@]12[C@@H](OC(=O)c3ccoc3)CC[C@](C)(O)[C@]13OC(C)(C)[C@H]([C@@H](OC(C)=O)[C@H]2OC(=O)c1ccoc1)[C@H]3OC(C)=O,C31H36O14,pos_2_1proton1sodium,632.2105058319999,KTFFOTYEMQOLKB,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Tripterygium wilfordii,300831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium wilfordii'],6,0,6.0 83199,3110,-1,,,,0.0,MS1_match,UIECACVRTPYSCK-MVPWXCBGSA-N,"InChI=1S/C31H36O14/c1-16(32)40-15-30-23(43-26(35)20-9-7-11-38-20)13-19-24(44-27(36)21-10-8-12-39-21)31(30,45-28(19,4)5)29(6,37)14-22(41-17(2)33)25(30)42-18(3)34/h7-12,19,22-25,37H,13-15H2,1-6H3/t19-,22+,23+,24-,25+,29+,30-,31+/m1/s1",CC(=O)OC[C@]12[C@@H](OC(=O)c3ccco3)C[C@@H]3[C@@H](OC(=O)c4ccco4)[C@]1(OC3(C)C)[C@@](C)(O)C[C@H](OC(C)=O)[C@@H]2OC(C)=O,C31H36O14,pos_2_1proton1sodium,632.210505832,UIECACVRTPYSCK,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Monteverdia cuzcoina,6092941.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Monteverdia'],['Monteverdia cuzcoina'],6,0,6.0 83200,3110,-1,,,,0.0,MS1_match,ODCAMDJMGUTWOU-UFAKWALKSA-N,"InChI=1S/C31H36O14/c1-16(32)40-15-30-21(41-17(2)33)7-10-29(6,37)31(30)25(42-18(3)34)23(28(4,5)45-31)22(27(36)43-20-9-12-39-14-20)24(30)44-26(35)19-8-11-38-13-19/h8-9,11-14,21-25,37H,7,10,15H2,1-6H3/t21-,22+,23-,24+,25-,29+,30-,31+/m1/s1",CC(=O)OC[C@]12[C@H](OC(C)=O)CC[C@](C)(O)[C@]13OC(C)(C)[C@H]([C@H](C(=O)Oc1ccoc1)[C@@H]2OC(=O)c1ccoc1)[C@H]3OC(C)=O,C31H36O14,pos_2_1proton1sodium,632.210505832,ODCAMDJMGUTWOU,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Celastrus paniculatus,561287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Celastrus'],['Celastrus paniculatus'],6,0,6.0 83197,3109,-1,,,,0.0,MS1_match,JIHQLTXNRUMMRM-IYTWNDGFSA-N,"InChI=1S/C18H32O8/c19-11-13-15(21)16(22)17(23)18(26-13)24-10-6-4-2-1-3-5-7-12-8-9-14(20)25-12/h12-13,15-19,21-23H,1-11H2/t12-,13-,15-,16+,17-,18-/m1/s1",O=C1CC[C@@H](CCCCCCCCO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O1,C18H32O8,pos_1_1proton1ammonium,376.2097179839999,JIHQLTXNRUMMRM,Fatty acids,Fatty esters,Lactones,Salacia chinensis,380833.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Salacia'],['Salacia chinensis'],6,0,6.0 83190,3105,-1,,,,0.0,MS1_match,HSUIVCLOAAJSRE-UHFFFAOYSA-N,"InChI=1S/C14H18O6/c1-17-7-9-19-13(15)11-5-3-4-6-12(11)14(16)20-10-8-18-2/h3-6H,7-10H2,1-2H3",COCCOC(=O)c1ccccc1C(=O)OCCOC,C14H18O6,pos_2MHNH3,282.110338296,HSUIVCLOAAJSRE,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 83191,3105,-1,,,,0.0,MS1_match,NFUHNVZGHNEYRG-GKRKWVKGSA-N,"InChI=1S/C26H36O12/c1-34-18-11-15(6-7-16(18)29)22(30)20(12-27)37-17-8-5-14(10-19(17)35-2)4-3-9-36-26-25(33)24(32)23(31)21(13-28)38-26/h5-8,10-11,20-33H,3-4,9,12-13H2,1-2H3/t20-,21-,22+,23-,24+,25-,26-/m1/s1",COc1cc([C@H](O)[C@@H](CO)Oc2ccc(CCCO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2OC)ccc1O,C26H36O12,pos_1_1proton1acetonitrile,540.2206765919998,NFUHNVZGHNEYRG,Shikimates and Phenylpropanoids,Lignans,Neolignans,Lonicera gracilipes,920854.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera gracilipes'],7,0,7.0 83192,3105,-1,,,,0.0,MS1_match,NFUHNVZGHNEYRG-GKRKWVKGSA-N,"InChI=1S/C26H36O12/c1-34-18-11-15(6-7-16(18)29)22(30)20(12-27)37-17-8-5-14(10-19(17)35-2)4-3-9-36-26-25(33)24(32)23(31)21(13-28)38-26/h5-8,10-11,20-33H,3-4,9,12-13H2,1-2H3/t20-,21-,22+,23-,24+,25-,26-/m1/s1",COc1cc([C@H](O)[C@@H](CO)Oc2ccc(CCCO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2OC)ccc1O,C26H36O12,pos_1_1proton1acetonitrile,540.2206765919998,NFUHNVZGHNEYRG,Shikimates and Phenylpropanoids,Lignans,Neolignans,Lonicera gracilipes,920854.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera gracilipes'],7,0,7.0 83193,3105,-1,,,,0.0,MS1_match,VHHJRIJKJTYYIZ-GKRKWVKGSA-N,"InChI=1S/C26H36O12/c1-34-18-10-14(4-3-9-27)5-7-16(18)36-20(12-28)22(30)15-6-8-17(19(11-15)35-2)37-26-25(33)24(32)23(31)21(13-29)38-26/h5-8,10-11,20-33H,3-4,9,12-13H2,1-2H3/t20-,21-,22+,23-,24+,25-,26-/m1/s1",COc1cc([C@H](O)[C@@H](CO)Oc2ccc(CCCO)cc2OC)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C26H36O12,pos_1_1proton1acetonitrile,540.220676592,VHHJRIJKJTYYIZ,Shikimates and Phenylpropanoids,Lignans,Neolignans,Lonicera gracilipes,920854.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera gracilipes'],7,0,7.0 83194,3105,-1,,,,0.0,MS1_match,HZYWTYSKPVTFNA-URGBZLTBSA-N,"InChI=1S/C26H36O12/c1-34-18-11-15(6-7-16(18)30)25(38-26-24(33)23(32)22(31)20(12-28)37-26)21(13-29)36-17-8-5-14(4-3-9-27)10-19(17)35-2/h5-8,10-11,20-33H,3-4,9,12-13H2,1-2H3/t20-,21+,22-,23+,24-,25+,26+/m1/s1",COc1cc([C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](CO)Oc2ccc(CCCO)cc2OC)ccc1O,C26H36O12,pos_1_1proton1acetonitrile,540.220676592,HZYWTYSKPVTFNA,Shikimates and Phenylpropanoids,Lignans,Neolignans,Lonicera gracilipes,920854.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera gracilipes'],7,0,7.0 83188,3104,58,Polyketides,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,QUZHZFAQJATMCA-QAZQWDDOSA-N,"InChI=1S/C45H74O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,38-39,42-46,49-51H,3-4,9-10,15-16,21-37H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t38-,39-,42+,43+,44-,45-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C45H74O10,pos_1_1proton1acetonitrile,774.5281985680001,QUZHZFAQJATMCA,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Ranunculus fluitans,961752.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus fluitans'],6,3,7.5 83189,3104,58,Polyketides,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,QUZHZFAQJATMCA-QAZQWDDOSA-N,"InChI=1S/C45H74O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,38-39,42-46,49-51H,3-4,9-10,15-16,21-37H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t38-,39-,42+,43+,44-,45-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C45H74O10,pos_1_1proton1acetonitrile,774.5281985680001,QUZHZFAQJATMCA,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Ranunculus fluitans,961752.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus fluitans'],6,3,7.5 82931,3101,64,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.48156658,ISDB,ILEDWLMCKZNDJK-UHFFFAOYSA-N,"InChI=1S/C9H6O4/c10-6-3-5-1-2-9(12)13-8(5)4-7(6)11/h1-4,10-11H",O=c1ccc2cc(O)c(O)cc2o1,C9H6O4,,178.026608672,ILEDWLMCKZNDJK,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Ranunculus sieboldii,685187.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus sieboldii'],6,3,9.426266312599182 82930,3099,165,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,GYHJUGYOSOGTKF-UHFFFAOYSA-N,InChI=1S/C5H6O3/c6-4-1-2-5(7)8-3-4/h1-3H2,O=C1CCC(=O)OC1,C5H6O3,pos_2MHNH3,114.031694052,GYHJUGYOSOGTKF,,,,Ranunculus sieboldii,685187.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus sieboldii'],6,0,6.0 82647,3098,448,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.5692549,ISDB,VZZQQZMZDJETCS-GUKRZAEASA-N,"InChI=1S/C20H20O5/c1-25-20-12-15(6-11-19(20)24)5-10-18(23)13-17(22)9-4-14-2-7-16(21)8-3-14/h2-4,6-9,11-13,21-22,24H,5,10H2,1H3/b9-4+,17-13-",COc1cc(CCC(=O)/C=C(O)/C=C/c2ccc(O)cc2)ccc1O,C20H20O5,,340.13107374,VZZQQZMZDJETCS,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Aframomum letestuanum,791472.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Aframomum'],['Aframomum letestuanum'],4,3,7.777019500732422 82646,3087,992,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.23407276,ISDB,WABSIBOPGQPWRD-VQHVLOKHSA-N,"InChI=1S/C14H24O6/c1-19-13(17)8-6-4-2-3-5-7-9-14(18)20-11-12(16)10-15/h7,9,12,15-16H,2-6,8,10-11H2,1H3/b9-7+",COC(=O)CCCCCC/C=C/C(=O)OCC(O)CO,C14H24O6,,288.157288488,WABSIBOPGQPWRD,,,,Cladosporium cladosporioides,187451.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Dothideomycetes'],['Capnodiales'],['Cladosporiaceae'],['Unknown'],['Cladosporium'],['Cladosporium cladosporioides'],1,0,1.9362910389900208 82641,3086,270,Shikimates and Phenylpropanoids,Chromanes,Chromones,0.0,MS1_match,YMKQLZWZRFMJBN-UHFFFAOYSA-N,"InChI=1S/C21H26O11/c1-21(2,28)14-4-9-11(31-14)5-12-15(16(9)24)10(23)3-8(30-12)7-29-20-19(27)18(26)17(25)13(6-22)32-20/h3,5,13-14,17-20,22,24-28H,4,6-7H2,1-2H3",CC(C)(O)C1Cc2c(cc3oc(COC4OC(CO)C(O)C(O)C4O)cc(=O)c3c2O)O1,C21H26O11,pos_1_1proton1acetonitrile,454.147511652,YMKQLZWZRFMJBN,Polyketides,Chromanes,Chromones,Actaea cimicifuga,988720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea cimicifuga'],6,3,7.5 82642,3086,270,Shikimates and Phenylpropanoids,Chromanes,Chromones,0.0,MS1_match,YMKQLZWZRFMJBN-UHFFFAOYSA-N,"InChI=1S/C21H26O11/c1-21(2,28)14-4-9-11(31-14)5-12-15(16(9)24)10(23)3-8(30-12)7-29-20-19(27)18(26)17(25)13(6-22)32-20/h3,5,13-14,17-20,22,24-28H,4,6-7H2,1-2H3",CC(C)(O)C1Cc2c(cc3oc(COC4OC(CO)C(O)C(O)C4O)cc(=O)c3c2O)O1,C21H26O11,pos_1_1proton1acetonitrile,454.147511652,YMKQLZWZRFMJBN,Polyketides,Chromanes,Chromones,Actaea elata,988729.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea elata'],6,3,7.5 82643,3086,270,Shikimates and Phenylpropanoids,Chromanes,Chromones,0.0,MS1_match,PBHOYFHVNTVOLB-JEQBVLSKSA-N,"InChI=1S/C21H26O11/c1-9(8-30-21-19(29)18(28)17(27)15(7-23)32-21)2-3-11-12(24)5-14(26)16-13(25)4-10(6-22)31-20(11)16/h2,4-5,15,17-19,21-24,26-29H,3,6-8H2,1H3/b9-2+/t15-,17-,18+,19-,21-/m1/s1",C/C(=C\Cc1c(O)cc(O)c2c(=O)cc(CO)oc12)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C21H26O11,pos_1_1proton1acetonitrile,454.147511652,PBHOYFHVNTVOLB,Polyketides,Chromanes,Chromones,Eranthis hyemalis,756503.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Eranthis'],['Eranthis hyemalis'],6,3,7.5 82644,3086,270,Shikimates and Phenylpropanoids,Chromanes,Chromones,0.0,MS1_match,GWJOORMJFDUWLC-JEQBVLSKSA-N,"InChI=1S/C21H26O11/c1-9(6-22)2-3-11-14(31-21-19(29)18(28)17(27)15(8-24)32-21)5-13(26)16-12(25)4-10(7-23)30-20(11)16/h2,4-5,15,17-19,21-24,26-29H,3,6-8H2,1H3/b9-2+/t15-,17-,18+,19-,21-/m1/s1",C/C(=C\Cc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c2c(=O)cc(CO)oc12)CO,C21H26O11,pos_1_1proton1acetonitrile,454.147511652,GWJOORMJFDUWLC,Polyketides,Chromanes,Chromones,Eranthis cilicica,5922989.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Eranthis'],['Eranthis cilicica'],6,3,7.5 82645,3086,270,Shikimates and Phenylpropanoids,Chromanes,Chromones,0.0,MS1_match,GWJOORMJFDUWLC-JEQBVLSKSA-N,"InChI=1S/C21H26O11/c1-9(6-22)2-3-11-14(31-21-19(29)18(28)17(27)15(8-24)32-21)5-13(26)16-12(25)4-10(7-23)30-20(11)16/h2,4-5,15,17-19,21-24,26-29H,3,6-8H2,1H3/b9-2+/t15-,17-,18+,19-,21-/m1/s1",C/C(=C\Cc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c2c(=O)cc(CO)oc12)CO,C21H26O11,pos_1_1proton1acetonitrile,454.147511652,GWJOORMJFDUWLC,Polyketides,Chromanes,Chromones,Eranthis hyemalis,756503.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Eranthis'],['Eranthis hyemalis'],6,3,7.5 82472,3084,-1,,,,0.7000979,ISDB,KPANTTZNWNQAGE-PVOYIKSTSA-N,"InChI=1S/C16H24O3/c1-9-5-7-15(3)12(9)13-11(6-8-16(15,4)18)10(2)14(17)19-13/h10-11,13,18H,5-8H2,1-4H3/t10-,11-,13-,15-,16-/m0/s1",CC1=C2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@](C)(O)[C@@]2(C)CC1,C16H24O3,,264.172544628,KPANTTZNWNQAGE,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Cichorium pumilum,1085088.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Cichorium'],['Cichorium pumilum'],4,0,6.800391674041748 82464,3083,432,Polyketides,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,DDBFXHRHQKHBNN-UHFFFAOYSA-N,"InChI=1S/C25H44O8/c1-6-22(2,31)10-7-17-23(3)11-9-18(28)24(4,14-26)16(23)8-12-25(17,5)33-21-20(30)19(29)15(27)13-32-21/h6,15-21,26-31H,1,7-14H2,2-5H3",C=CC(C)(O)CCC1C(C)(OC2OCC(O)C(O)C2O)CCC2C(C)(CO)C(O)CCC12C,C25H44O8,pos_2MK,472.303618368,DDBFXHRHQKHBNN,Terpenoids,Diterpenoids,Labdane diterpenoids,Aquilegia viridiflora,203768.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Aquilegia'],['Aquilegia viridiflora'],6,0,6.0 82465,3083,432,Polyketides,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,DDBFXHRHQKHBNN-JLBBAOFQSA-N,"InChI=1S/C25H44O8/c1-6-22(2,31)10-7-17-23(3)11-9-18(28)24(4,14-26)16(23)8-12-25(17,5)33-21-20(30)19(29)15(27)13-32-21/h6,15-21,26-31H,1,7-14H2,2-5H3/t15-,16+,17+,18-,19-,20+,21-,22+,23-,24-,25+/m0/s1",C=C[C@@](C)(O)CC[C@@H]1[C@@]2(C)CC[C@H](O)[C@@](C)(CO)[C@@H]2CC[C@@]1(C)O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O,C25H44O8,pos_2MK,472.30361836799983,DDBFXHRHQKHBNN,Terpenoids,Diterpenoids,Labdane diterpenoids,Aquilegia cultorum,3945151.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Aquilegia'],['Aquilegia cultorum'],6,0,6.0 82466,3083,432,Polyketides,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,DDBFXHRHQKHBNN-UHFFFAOYSA-N,"InChI=1S/C25H44O8/c1-6-22(2,31)10-7-17-23(3)11-9-18(28)24(4,14-26)16(23)8-12-25(17,5)33-21-20(30)19(29)15(27)13-32-21/h6,15-21,26-31H,1,7-14H2,2-5H3",C=CC(C)(O)CCC1C(C)(OC2OCC(O)C(O)C2O)CCC2C(C)(CO)C(O)CCC12C,C25H44O8,pos_2MK,472.303618368,DDBFXHRHQKHBNN,Terpenoids,Diterpenoids,Labdane diterpenoids,Aquilegia viridiflora,203768.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Aquilegia'],['Aquilegia viridiflora'],6,0,6.0 82467,3083,432,Polyketides,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,DDBFXHRHQKHBNN-JLBBAOFQSA-N,"InChI=1S/C25H44O8/c1-6-22(2,31)10-7-17-23(3)11-9-18(28)24(4,14-26)16(23)8-12-25(17,5)33-21-20(30)19(29)15(27)13-32-21/h6,15-21,26-31H,1,7-14H2,2-5H3/t15-,16+,17+,18-,19-,20+,21-,22+,23-,24-,25+/m0/s1",C=C[C@@](C)(O)CC[C@@H]1[C@@]2(C)CC[C@H](O)[C@@](C)(CO)[C@@H]2CC[C@@]1(C)O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O,C25H44O8,pos_2MK,472.30361836799983,DDBFXHRHQKHBNN,Terpenoids,Diterpenoids,Labdane diterpenoids,Aquilegia cultorum,3945151.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Aquilegia'],['Aquilegia cultorum'],6,0,6.0 82428,3082,-1,,,,0.0,MS1_match,KSEBMYQBYZTDHS-UHFFFAOYSA-N,"InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)",COc1cc(C=CC(=O)O)ccc1O,C10H10O4,pos_2MHCH3CN,194.0579088,KSEBMYQBYZTDHS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis delavayi,72769.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis delavayi'],8,0,8.0 82429,3082,-1,,,,0.0,MS1_match,OCNYGKNIVPVPPX-UHFFFAOYSA-N,"InChI=1S/C10H10O4/c1-14-10(13)5-3-7-2-4-8(11)9(12)6-7/h2-6,11-12H,1H3",COC(=O)C=Cc1ccc(O)c(O)c1,C10H10O4,pos_2MHCH3CN,194.0579088,OCNYGKNIVPVPPX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis delavayi,72769.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis delavayi'],8,0,8.0 82430,3082,-1,,,,0.0,MS1_match,QURCVMIEKCOAJU-UHFFFAOYSA-N,"InChI=1S/C10H10O4/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)",COc1ccc(C=CC(=O)O)cc1O,C10H10O4,pos_2MHCH3CN,194.0579088,QURCVMIEKCOAJU,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis delavayi,72769.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis delavayi'],8,0,8.0 82431,3082,-1,,,,0.0,MS1_match,KSEBMYQBYZTDHS-HWKANZROSA-N,"InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+",COc1cc(/C=C/C(=O)O)ccc1O,C10H10O4,pos_2MHCH3CN,194.0579088,KSEBMYQBYZTDHS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis terniflora var. mandshurica,446556.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis terniflora'],8,0,8.0 82335,3081,1124,Terpenoids,Sesquiterpenoids,Bufadienolides,0.2659161,ISDB,SYYIRKGALNGKTB-UHFFFAOYSA-N,"InChI=1S/C12H14O3/c1-12(2)6-5-8-7-9(11(13)14)3-4-10(8)15-12/h3-4,7H,5-6H2,1-2H3,(H,13,14)",CC1(C)CCc2cc(C(=O)O)ccc2O1,C12H14O3,,206.094294308,SYYIRKGALNGKTB,Terpenoids,Meroterpenoids,Merohemiterpenoids,Sargentodoxa cuneata,639710.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Lardizabalaceae'],['Unknown'],['Sargentodoxa'],['Sargentodoxa cuneata'],5,1,6.563664436340332 82119,3079,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.52839416,ISDB,PSQYTAPXSHCGMF-BQYQJAHWSA-N,"InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7+",CC(=O)/C=C/C1=C(C)CCCC1(C)C,C13H20O,,192.15141526,PSQYTAPXSHCGMF,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,1,8.613576650619507 82118,3075,-1,,,,0.0,MS1_match,BOPNBEMHPYANDR-QSHXVNPLSA-N,"InChI=1S/C17H22O11/c1-5(20)10-6(21)2-7(22)11(13(10)24)15-9(4-19)26-16-14(25)12(23)8(3-18)27-17(16)28-15/h2,8-9,12,14-19,21-25H,3-4H2,1H3/t8-,9+,12-,14+,15-,16-,17+/m1/s1",CC(=O)c1c(O)cc(O)c([C@@H]2O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@H]2CO)c1O,C17H22O11,pos_1_1proton1ammonium,402.116211524,BOPNBEMHPYANDR,Polyketides,Phloroglucinols,Acyl phloroglucinols,Eriocapitella tomentosa,5737682.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Anemone'],['Anemone tomentosa'],7,0,7.0 82047,3074,-1,,,,0.0,MS1_match,IKGXIBQEEMLURG-NVPNHPEKSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O16,pos_1_sodium,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Clematis koreana,3945134.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis koreana'],9,0,9.0 82048,3074,-1,,,,0.0,MS1_match,IKGXIBQEEMLURG-NVPNHPEKSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O16,pos_1_sodium,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Clematis koreana,3945134.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis koreana'],9,0,9.0 81991,3072,832,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,0.65402395,ISDB,PXNMNABLQWUMCX-UHFFFAOYSA-N,"InChI=1S/C14H13NO2/c1-14(2)8-7-10-12(17-14)9-5-3-4-6-11(9)15-13(10)16/h3-8H,1-2H3,(H,15,16)",CC1(C)C=Cc2c(O)nc3ccccc3c2O1,C14H13NO2,,227.094628656,PXNMNABLQWUMCX,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,Zanthoxylum zanthoxyloides,6125784.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum zanthoxyloides'],4,3,8.116095781326294 81992,3072,832,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,0.65402395,ISDB,PXNMNABLQWUMCX-UHFFFAOYSA-N,"InChI=1S/C14H13NO2/c1-14(2)8-7-10-12(17-14)9-5-3-4-6-11(9)15-13(10)16/h3-8H,1-2H3,(H,15,16)",CC1(C)C=Cc2c(O)nc3ccccc3c2O1,C14H13NO2,,227.094628656,PXNMNABLQWUMCX,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,Micromelum minutum,1016453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Micromelum'],['Micromelum minutum'],4,3,8.116095781326294 81993,3072,832,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,0.65402395,ISDB,PXNMNABLQWUMCX-UHFFFAOYSA-N,"InChI=1S/C14H13NO2/c1-14(2)8-7-10-12(17-14)9-5-3-4-6-11(9)15-13(10)16/h3-8H,1-2H3,(H,15,16)",CC1(C)C=Cc2c(O)nc3ccccc3c2O1,C14H13NO2,,227.094628656,PXNMNABLQWUMCX,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,Neoraputia paraensis,6126505.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Neoraputia'],['Neoraputia paraensis'],4,3,8.116095781326294 81994,3072,832,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,0.65402395,ISDB,PXNMNABLQWUMCX-UHFFFAOYSA-N,"InChI=1S/C14H13NO2/c1-14(2)8-7-10-12(17-14)9-5-3-4-6-11(9)15-13(10)16/h3-8H,1-2H3,(H,15,16)",CC1(C)C=Cc2c(O)nc3ccccc3c2O1,C14H13NO2,,227.094628656,PXNMNABLQWUMCX,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,Haplophyllum thesioides,793118.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Haplophyllum'],['Haplophyllum thesioides'],4,3,8.116095781326294 81995,3072,832,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,0.65402395,ISDB,PXNMNABLQWUMCX-UHFFFAOYSA-N,"InChI=1S/C14H13NO2/c1-14(2)8-7-10-12(17-14)9-5-3-4-6-11(9)15-13(10)16/h3-8H,1-2H3,(H,15,16)",CC1(C)C=Cc2c(O)nc3ccccc3c2O1,C14H13NO2,,227.094628656,PXNMNABLQWUMCX,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,Zanthoxylum chalybeum,5762613.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum chalybeum'],4,3,8.116095781326294 81996,3072,832,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,0.65402395,ISDB,PXNMNABLQWUMCX-UHFFFAOYSA-N,"InChI=1S/C14H13NO2/c1-14(2)8-7-10-12(17-14)9-5-3-4-6-11(9)15-13(10)16/h3-8H,1-2H3,(H,15,16)",CC1(C)C=Cc2c(O)nc3ccccc3c2O1,C14H13NO2,,227.094628656,PXNMNABLQWUMCX,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,Zanthoxylum chalybaeum,6125630.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum chalybaeum'],4,3,8.116095781326294 81997,3072,832,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,0.65402395,ISDB,PXNMNABLQWUMCX-UHFFFAOYSA-N,"InChI=1S/C14H13NO2/c1-14(2)8-7-10-12(17-14)9-5-3-4-6-11(9)15-13(10)16/h3-8H,1-2H3,(H,15,16)",CC1(C)C=Cc2c(O)nc3ccccc3c2O1,C14H13NO2,,227.094628656,PXNMNABLQWUMCX,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,Helietta apiculata,5747575.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Helietta'],['Helietta apiculata'],4,3,8.116095781326294 81998,3072,832,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,0.65402395,ISDB,PXNMNABLQWUMCX-UHFFFAOYSA-N,"InChI=1S/C14H13NO2/c1-14(2)8-7-10-12(17-14)9-5-3-4-6-11(9)15-13(10)16/h3-8H,1-2H3,(H,15,16)",CC1(C)C=Cc2c(O)nc3ccccc3c2O1,C14H13NO2,,227.094628656,PXNMNABLQWUMCX,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,Geijera balansae,6126353.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Geijera'],['Geijera balansae'],4,3,8.116095781326294 81999,3072,832,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,0.65402395,ISDB,PXNMNABLQWUMCX-UHFFFAOYSA-N,"InChI=1S/C14H13NO2/c1-14(2)8-7-10-12(17-14)9-5-3-4-6-11(9)15-13(10)16/h3-8H,1-2H3,(H,15,16)",CC1(C)C=Cc2c(O)nc3ccccc3c2O1,C14H13NO2,,227.094628656,PXNMNABLQWUMCX,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,Zanthoxylum integrifoliolum,6125676.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum integrifoliolum'],4,3,8.116095781326294 82000,3072,832,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,0.65402395,ISDB,PXNMNABLQWUMCX-UHFFFAOYSA-N,"InChI=1S/C14H13NO2/c1-14(2)8-7-10-12(17-14)9-5-3-4-6-11(9)15-13(10)16/h3-8H,1-2H3,(H,15,16)",CC1(C)C=Cc2c(O)nc3ccccc3c2O1,C14H13NO2,,227.094628656,PXNMNABLQWUMCX,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,Haplophyllum suaveolens,397688.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Haplophyllum'],['Haplophyllum suaveolens'],4,3,8.116095781326294 82001,3072,832,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,0.65402395,ISDB,PXNMNABLQWUMCX-UHFFFAOYSA-N,"InChI=1S/C14H13NO2/c1-14(2)8-7-10-12(17-14)9-5-3-4-6-11(9)15-13(10)16/h3-8H,1-2H3,(H,15,16)",CC1(C)C=Cc2c(O)nc3ccccc3c2O1,C14H13NO2,,227.094628656,PXNMNABLQWUMCX,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,Haplophyllum tuberculatum,1081353.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Haplophyllum'],['Haplophyllum tuberculatum'],4,3,8.116095781326294 82002,3072,832,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,0.65402395,ISDB,PXNMNABLQWUMCX-UHFFFAOYSA-N,"InChI=1S/C14H13NO2/c1-14(2)8-7-10-12(17-14)9-5-3-4-6-11(9)15-13(10)16/h3-8H,1-2H3,(H,15,16)",CC1(C)C=Cc2c(O)nc3ccccc3c2O1,C14H13NO2,,227.094628656,PXNMNABLQWUMCX,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,Zanthoxylum simulans,889927.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum simulans'],4,3,8.116095781326294 82003,3072,832,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,0.65402395,ISDB,PXNMNABLQWUMCX-UHFFFAOYSA-N,"InChI=1S/C14H13NO2/c1-14(2)8-7-10-12(17-14)9-5-3-4-6-11(9)15-13(10)16/h3-8H,1-2H3,(H,15,16)",CC1(C)C=Cc2c(O)nc3ccccc3c2O1,C14H13NO2,,227.094628656,PXNMNABLQWUMCX,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,Zanthoxylum beecheyanum,743556.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum beecheyanum'],4,3,8.116095781326294 82004,3072,832,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,0.65402395,ISDB,PXNMNABLQWUMCX-UHFFFAOYSA-N,"InChI=1S/C14H13NO2/c1-14(2)8-7-10-12(17-14)9-5-3-4-6-11(9)15-13(10)16/h3-8H,1-2H3,(H,15,16)",CC1(C)C=Cc2c(O)nc3ccccc3c2O1,C14H13NO2,,227.094628656,PXNMNABLQWUMCX,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,Haplophyllum bucharicum,1046433.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Haplophyllum'],['Haplophyllum bucharicum'],4,3,8.116095781326294 82005,3072,832,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,0.65402395,ISDB,PXNMNABLQWUMCX-UHFFFAOYSA-N,"InChI=1S/C14H13NO2/c1-14(2)8-7-10-12(17-14)9-5-3-4-6-11(9)15-13(10)16/h3-8H,1-2H3,(H,15,16)",CC1(C)C=Cc2c(O)nc3ccccc3c2O1,C14H13NO2,,227.094628656,PXNMNABLQWUMCX,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,Haplophyllum acutifolium,239196.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Haplophyllum'],['Haplophyllum acutifolium'],4,3,8.116095781326294 82006,3072,832,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,0.65402395,ISDB,PXNMNABLQWUMCX-UHFFFAOYSA-N,"InChI=1S/C14H13NO2/c1-14(2)8-7-10-12(17-14)9-5-3-4-6-11(9)15-13(10)16/h3-8H,1-2H3,(H,15,16)",CC1(C)C=Cc2c(O)nc3ccccc3c2O1,C14H13NO2,,227.094628656,PXNMNABLQWUMCX,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,Zanthoxylum coco,5747726.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum coco'],4,3,8.116095781326294 82007,3072,832,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,0.65402395,ISDB,PXNMNABLQWUMCX-UHFFFAOYSA-N,"InChI=1S/C14H13NO2/c1-14(2)8-7-10-12(17-14)9-5-3-4-6-11(9)15-13(10)16/h3-8H,1-2H3,(H,15,16)",CC1(C)C=Cc2c(O)nc3ccccc3c2O1,C14H13NO2,,227.094628656,PXNMNABLQWUMCX,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,Flindersia australis,81672.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Flindersia'],['Flindersia australis'],4,3,8.116095781326294 82008,3072,832,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,0.65402395,ISDB,PXNMNABLQWUMCX-UHFFFAOYSA-N,"InChI=1S/C14H13NO2/c1-14(2)8-7-10-12(17-14)9-5-3-4-6-11(9)15-13(10)16/h3-8H,1-2H3,(H,15,16)",CC1(C)C=Cc2c(O)nc3ccccc3c2O1,C14H13NO2,,227.094628656,PXNMNABLQWUMCX,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,Zanthoxylum heitzii,6125670.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum heitzii'],4,3,8.116095781326294 82009,3072,832,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,0.65402395,ISDB,PXNMNABLQWUMCX-UHFFFAOYSA-N,"InChI=1S/C14H13NO2/c1-14(2)8-7-10-12(17-14)9-5-3-4-6-11(9)15-13(10)16/h3-8H,1-2H3,(H,15,16)",CC1(C)C=Cc2c(O)nc3ccccc3c2O1,C14H13NO2,,227.094628656,PXNMNABLQWUMCX,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,Zanthoxylum nitidum,164612.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum nitidum'],4,3,8.116095781326294 82010,3072,832,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,0.65402395,ISDB,PXNMNABLQWUMCX-UHFFFAOYSA-N,"InChI=1S/C14H13NO2/c1-14(2)8-7-10-12(17-14)9-5-3-4-6-11(9)15-13(10)16/h3-8H,1-2H3,(H,15,16)",CC1(C)C=Cc2c(O)nc3ccccc3c2O1,C14H13NO2,,227.094628656,PXNMNABLQWUMCX,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,Glycosmis parviflora,181666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Glycosmis'],['Glycosmis parviflora'],4,3,8.116095781326294 81990,3061,53,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,KJZKMUCLXDFCHA-BZXHIDDVSA-N,"InChI=1S/C33H58O18/c1-13-29(17(35)8-23(44-13)49-30-14(2)43-22(36)9-18(30)40-5)48-24-10-19(41-6)31(15(3)45-24)50-25-11-20(42-7)32(16(4)46-25)51-33-28(39)27(38)26(37)21(12-34)47-33/h13-39H,8-12H2,1-7H3/t13-,14-,15-,16-,17+,18+,19-,20-,21-,22-,23+,24+,25+,26-,27+,28-,29-,30+,31-,32+,33+/m1/s1",CO[C@H]1C[C@H](O)O[C@H](C)[C@@H]1O[C@H]1C[C@H](O)[C@H](O[C@H]2C[C@@H](OC)[C@H](O[C@H]3C[C@@H](OC)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](C)O1,C33H58O18,pos_2_2sodium,742.362315016,KJZKMUCLXDFCHA,Carbohydrates,Saccharides,Polysaccharides,Adonis aleppica,6130911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Adonideae'],['Adonis'],['Adonis aleppica'],6,0,6.0 81269,3056,1369,Terpenoids,Monoterpenoids,Pinane monoterpenoids,0.39526227,ISDB,TVGPYTOYKLZBPA-UHFFFAOYSA-N,"InChI=1S/C15H24O2/c1-10(2)7-14(16)17-9-11-5-6-12-8-13(11)15(12,3)4/h5,10,12-13H,6-9H2,1-4H3",CC(C)CC(=O)OCC1=CCC2CC1C2(C)C,C15H24O2,,236.177630008,TVGPYTOYKLZBPA,Terpenoids,Monoterpenoids,Pinane monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,3,9.081049084663391 81265,3052,1236,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Simple phenolic acids,0.0,MS1_match,GGMCFLXPZMBJMV-NPVWYNPDSA-N,"InChI=1S/C24H26O13/c1-32-11-5-4-9(6-10(11)26)21-23(34-3)18(29)15-12(35-21)7-13(22(33-2)17(15)28)36-24-20(31)19(30)16(27)14(8-25)37-24/h4-7,14,16,19-20,24-28,30-31H,8H2,1-3H3/t14-,16-,19+,20-,24-/m1/s1",COc1ccc(-c2oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c(O)c3c(=O)c2OC)cc1O,C24H26O13,pos_1_1proton1ammonium,522.1373408919998,GGMCFLXPZMBJMV,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus laetus,714302.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus laetus'],6,1,6.5 81266,3052,1236,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Simple phenolic acids,0.0,MS1_match,NYTZRFVFIRTFIX-NPVWYNPDSA-N,"InChI=1S/C24H26O13/c1-32-11-6-9(4-5-10(11)26)21-23(34-3)18(29)15-12(35-21)7-13(22(33-2)17(15)28)36-24-20(31)19(30)16(27)14(8-25)37-24/h4-7,14,16,19-20,24-28,30-31H,8H2,1-3H3/t14-,16-,19+,20-,24-/m1/s1",COc1cc(-c2oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c(O)c3c(=O)c2OC)ccc1O,C24H26O13,pos_1_1proton1ammonium,522.137340892,NYTZRFVFIRTFIX,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus laetus,714302.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus laetus'],6,1,6.5 81267,3052,1236,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Simple phenolic acids,0.0,MS1_match,WFTGLRVDKFXNSB-HPCJZBTHSA-N,"InChI=1S/C24H26O13/c1-32-12-6-9(4-5-10(12)26)20-23(34-3)17(29)15-13(35-20)7-11(27)21(33-2)22(15)37-24-19(31)18(30)16(28)14(8-25)36-24/h4-7,14,16,18-19,24-28,30-31H,8H2,1-3H3/t14-,16-,18+,19-,24+/m1/s1",COc1cc(-c2oc3cc(O)c(OC)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3c(=O)c2OC)ccc1O,C24H26O13,pos_1_1proton1ammonium,522.1373408919998,WFTGLRVDKFXNSB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus laetus,714302.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus laetus'],6,1,6.5 81268,3052,1236,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Simple phenolic acids,0.0,MS1_match,WFTGLRVDKFXNSB-HPCJZBTHSA-N,"InChI=1S/C24H26O13/c1-32-12-6-9(4-5-10(12)26)20-23(34-3)17(29)15-13(35-20)7-11(27)21(33-2)22(15)37-24-19(31)18(30)16(28)14(8-25)36-24/h4-7,14,16,18-19,24-28,30-31H,8H2,1-3H3/t14-,16-,18+,19-,24+/m1/s1",COc1cc(-c2oc3cc(O)c(OC)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3c(=O)c2OC)ccc1O,C24H26O13,pos_1_1proton1ammonium,522.1373408919998,WFTGLRVDKFXNSB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus laetus,714302.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus laetus'],6,1,6.5 81264,3050,-1,,,,0.0,MS1_match,RFTKPXQZIVKVOP-PMQCXRHVSA-N,"InChI=1S/C16H20O9/c1-23-10-4-2-8(6-9(10)18)3-5-12(19)25-16-15(22)14(21)13(20)11(7-17)24-16/h2-6,11,13-18,20-22H,7H2,1H3/b5-3+/t11-,13-,14+,15-,16+/m1/s1",COc1ccc(/C=C/C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1O,C16H20O9,pos_1_1proton1ammonium,356.11073222,RFTKPXQZIVKVOP,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Actaea racemosa,512702.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea racemosa'],6,0,6.0 80402,3046,265,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.3775057,ISDB,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Nigella sativa,142360.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Nigelleae'],['Nigella'],['Nigella sativa'],6,3,9.010022759437561 80400,3041,-1,,,,0.0,MS1_match,ZJSJQWDXAYNLNS-FUPWJLLWSA-N,"InChI=1S/C32H42O16/c1-41-19-7-13(3-5-17(19)45-31-27(39)25(37)23(35)21(9-33)47-31)29-15-11-44-30(16(15)12-43-29)14-4-6-18(20(8-14)42-2)46-32-28(40)26(38)24(36)22(10-34)48-32/h3-8,15-16,21-40H,9-12H2,1-2H3/t15-,16-,21+,22+,23+,24+,25-,26-,27+,28+,29+,30+,31+,32+/m0/s1",COc1cc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C32H42O16,pos_1_sodium,682.2472852640001,ZJSJQWDXAYNLNS,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Clematis stans,21283.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis stans'],8,0,8.0 80401,3041,-1,,,,0.0,MS1_match,ZJSJQWDXAYNLNS-FUPWJLLWSA-N,"InChI=1S/C32H42O16/c1-41-19-7-13(3-5-17(19)45-31-27(39)25(37)23(35)21(9-33)47-31)29-15-11-44-30(16(15)12-43-29)14-4-6-18(20(8-14)42-2)46-32-28(40)26(38)24(36)22(10-34)48-32/h3-8,15-16,21-40H,9-12H2,1-2H3/t15-,16-,21+,22+,23+,24+,25-,26-,27+,28+,29+,30+,31+,32+/m0/s1",COc1cc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C32H42O16,pos_1_sodium,682.2472852640001,ZJSJQWDXAYNLNS,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Clematis stans,21283.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis stans'],8,0,8.0 80398,3038,-1,,,,0.0,MS1_match,KVSQIVFQSWVUGM-GHADIOTFSA-N,"InChI=1S/C21H36O8/c1-9-5-12(23)15-10(9)6-11-13(7-21(15,4)29-20(11,2)3)27-19-18(26)17(25)16(24)14(8-22)28-19/h9-19,22-26H,5-8H2,1-4H3/t9-,10-,11+,12-,13+,14-,15+,16-,17+,18-,19+,21+/m1/s1",C[C@@H]1C[C@@H](O)[C@@H]2[C@@H]1C[C@H]1[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C[C@]2(C)OC1(C)C,C21H36O8,pos_1_1proton1ammonium,416.241018112,KVSQIVFQSWVUGM,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 80399,3038,-1,,,,0.0,MS1_match,KVSQIVFQSWVUGM-GHADIOTFSA-N,"InChI=1S/C21H36O8/c1-9-5-12(23)15-10(9)6-11-13(7-21(15,4)29-20(11,2)3)27-19-18(26)17(25)16(24)14(8-22)28-19/h9-19,22-26H,5-8H2,1-4H3/t9-,10-,11+,12-,13+,14-,15+,16-,17+,18-,19+,21+/m1/s1",C[C@@H]1C[C@@H](O)[C@@H]2[C@@H]1C[C@H]1[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C[C@]2(C)OC1(C)C,C21H36O8,pos_1_1proton1ammonium,416.241018112,KVSQIVFQSWVUGM,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Valeriana fauriei,228778.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana fauriei'],6,0,6.0 80376,3037,193,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,QHQVOSUMKVHHMB-UHFFFAOYSA-N,"InChI=1S/C12H12O5/c1-6-11-8(15-2)5-10(14)17-9(11)4-7(13)12(6)16-3/h4-5,13H,1-3H3",COc1c(O)cc2oc(=O)cc(OC)c2c1C,C12H12O5,pos_1_1proton,236.068473484,QHQVOSUMKVHHMB,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Clematis delavayi,72769.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis delavayi'],8,3,9.5 80365,3032,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,MLIXRKUBDYCIFK-HQJQHLMTSA-N,"InChI=1S/C11H14O3/c1-7-4-3-5-8-10(13)14-9(12)6-11(7,8)2/h5,7H,3-4,6H2,1-2H3/t7-,11+/m1/s1",C[C@@H]1CCC=C2C(=O)OC(=O)C[C@]21C,C11H14O3,pos_1_1proton1methanol,194.094294308,MLIXRKUBDYCIFK,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Nardostachys jatamansi,24101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Nardostachys'],['Nardostachys jatamansi'],6,2,7.0 80363,3031,-1,,,,0.0,MS1_match,SWGKAHCIOQPKFW-JTNORFRNSA-N,"InChI=1S/C13H12O9/c14-7-3-1-6(5-8(7)15)2-4-9(16)22-11(13(20)21)10(17)12(18)19/h1-5,10-11,14-15,17H,(H,18,19)(H,20,21)/b4-2+/t10-,11-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H](C(=O)O)[C@@H](O)C(=O)O,C13H12O9,pos_1_1potassium,312.04813196399994,SWGKAHCIOQPKFW,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Hydrastis canadensis,1072050.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Hydrastis'],['Hydrastis canadensis'],6,0,6.0 80364,3031,-1,,,,0.0,MS1_match,SWGKAHCIOQPKFW-JTNORFRNSA-N,"InChI=1S/C13H12O9/c14-7-3-1-6(5-8(7)15)2-4-9(16)22-11(13(20)21)10(17)12(18)19/h1-5,10-11,14-15,17H,(H,18,19)(H,20,21)/b4-2+/t10-,11-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H](C(=O)O)[C@@H](O)C(=O)O,C13H12O9,pos_1_1potassium,312.04813196399994,SWGKAHCIOQPKFW,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Hydrastis canadensis,1072050.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Hydrastis'],['Hydrastis canadensis'],6,0,6.0 80278,3030,-1,,,,0.62632567,ISDB,DCXYFEDJOCDNAF-REOHCLBHSA-N,"InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1",NC(=O)C[C@H](N)C(=O)O,C4H8N2O3,,132.053492116,DCXYFEDJOCDNAF,Amino acids and Peptides,Small peptides,Aminoacids,Carica papaya,429474.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Caricaceae'],['Unknown'],['Carica'],['Carica papaya'],4,0,6.505302667617798 80279,3030,-1,,,,0.62632567,ISDB,DCXYFEDJOCDNAF-REOHCLBHSA-N,"InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1",NC(=O)C[C@H](N)C(=O)O,C4H8N2O3,,132.053492116,DCXYFEDJOCDNAF,Amino acids and Peptides,Small peptides,Aminoacids,Hedera helix,524074.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Hedera'],['Hedera helix'],4,0,6.505302667617798 80280,3030,-1,,,,0.62632567,ISDB,DCXYFEDJOCDNAF-UHFFFAOYSA-N,"InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)",NC(=O)CC(N)C(=O)O,C4H8N2O3,,132.053492116,DCXYFEDJOCDNAF,Amino acids and Peptides,Small peptides,Aminoacids,Trifolium repens,116218.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Trifolium'],['Trifolium repens'],4,0,6.505302667617798 80281,3030,-1,,,,0.62632567,ISDB,DCXYFEDJOCDNAF-REOHCLBHSA-N,"InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1",NC(=O)C[C@H](N)C(=O)O,C4H8N2O3,,132.053492116,DCXYFEDJOCDNAF,Amino acids and Peptides,Small peptides,Aminoacids,Thymus transcaucasicus,6084067.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Thymus'],['Thymus transcaucasicus'],4,0,6.505302667617798 80282,3030,-1,,,,0.62632567,ISDB,DCXYFEDJOCDNAF-UHFFFAOYSA-N,"InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)",NC(=O)CC(N)C(=O)O,C4H8N2O3,,132.053492116,DCXYFEDJOCDNAF,Amino acids and Peptides,Small peptides,Aminoacids,Trifolium pratense,839027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Trifolium'],['Trifolium pratense'],4,0,6.505302667617798 80283,3030,-1,,,,0.62632567,ISDB,DCXYFEDJOCDNAF-REOHCLBHSA-N,"InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1",NC(=O)C[C@H](N)C(=O)O,C4H8N2O3,,132.053492116,DCXYFEDJOCDNAF,Amino acids and Peptides,Small peptides,Aminoacids,Lunaria annua,464805.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Biscutelleae'],['Lunaria'],['Lunaria annua'],4,0,6.505302667617798 80284,3030,-1,,,,0.62632567,ISDB,DCXYFEDJOCDNAF-UHFFFAOYSA-N,"InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)",NC(=O)CC(N)C(=O)O,C4H8N2O3,,132.053492116,DCXYFEDJOCDNAF,Amino acids and Peptides,Small peptides,Aminoacids,Paris fargesii,1091123.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Liliales'],['Melanthiaceae'],['Unknown'],['Paris'],['Paris fargesii'],4,0,6.505302667617798 80285,3030,-1,,,,0.62632567,ISDB,DCXYFEDJOCDNAF-REOHCLBHSA-N,"InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1",NC(=O)C[C@H](N)C(=O)O,C4H8N2O3,,132.053492116,DCXYFEDJOCDNAF,Amino acids and Peptides,Small peptides,Aminoacids,Punica granatum,646814.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Lythraceae'],['Unknown'],['Punica'],['Punica granatum'],4,0,6.505302667617798 80286,3030,-1,,,,0.62632567,ISDB,DCXYFEDJOCDNAF-REOHCLBHSA-N,"InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1",NC(=O)C[C@H](N)C(=O)O,C4H8N2O3,,132.053492116,DCXYFEDJOCDNAF,Amino acids and Peptides,Small peptides,Aminoacids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],4,0,6.505302667617798 80287,3030,-1,,,,0.62632567,ISDB,DCXYFEDJOCDNAF-REOHCLBHSA-N,"InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1",NC(=O)C[C@H](N)C(=O)O,C4H8N2O3,,132.053492116,DCXYFEDJOCDNAF,Amino acids and Peptides,Small peptides,Aminoacids,Astragalus falcatus,868704.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus falcatus'],4,0,6.505302667617798 80288,3030,-1,,,,0.62632567,ISDB,DCXYFEDJOCDNAF-REOHCLBHSA-N,"InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1",NC(=O)C[C@H](N)C(=O)O,C4H8N2O3,,132.053492116,DCXYFEDJOCDNAF,Amino acids and Peptides,Small peptides,Aminoacids,Oryza sativa,709894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza sativa'],4,0,6.505302667617798 80289,3030,-1,,,,0.62632567,ISDB,DCXYFEDJOCDNAF-REOHCLBHSA-N,"InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1",NC(=O)C[C@H](N)C(=O)O,C4H8N2O3,,132.053492116,DCXYFEDJOCDNAF,Amino acids and Peptides,Small peptides,Aminoacids,Phaseolus vulgaris,825707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Phaseolus'],['Phaseolus vulgaris'],4,0,6.505302667617798 80290,3030,-1,,,,0.62632567,ISDB,DCXYFEDJOCDNAF-UHFFFAOYSA-N,"InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)",NC(=O)CC(N)C(=O)O,C4H8N2O3,,132.053492116,DCXYFEDJOCDNAF,Amino acids and Peptides,Small peptides,Aminoacids,Medicago sativa,1086789.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Medicago'],['Medicago sativa'],4,0,6.505302667617798 80291,3030,-1,,,,0.62632567,ISDB,DCXYFEDJOCDNAF-UHFFFAOYSA-N,"InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)",NC(=O)CC(N)C(=O)O,C4H8N2O3,,132.053492116,DCXYFEDJOCDNAF,Amino acids and Peptides,Small peptides,Aminoacids,Paris polyphylla,597425.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Liliales'],['Melanthiaceae'],['Unknown'],['Paris'],['Paris polyphylla'],4,0,6.505302667617798 80292,3030,-1,,,,0.62632567,ISDB,DCXYFEDJOCDNAF-REOHCLBHSA-N,"InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1",NC(=O)C[C@H](N)C(=O)O,C4H8N2O3,,132.053492116,DCXYFEDJOCDNAF,Amino acids and Peptides,Small peptides,Aminoacids,Ficus septica,100094.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Ficus'],['Ficus septica'],4,0,6.505302667617798 80293,3030,-1,,,,0.62632567,ISDB,DCXYFEDJOCDNAF-REOHCLBHSA-N,"InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1",NC(=O)C[C@H](N)C(=O)O,C4H8N2O3,,132.053492116,DCXYFEDJOCDNAF,Amino acids and Peptides,Small peptides,Aminoacids,Brassica oleracea,833642.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica oleracea'],4,0,6.505302667617798 80294,3030,-1,,,,0.62632567,ISDB,DCXYFEDJOCDNAF-REOHCLBHSA-N,"InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1",NC(=O)C[C@H](N)C(=O)O,C4H8N2O3,,132.053492116,DCXYFEDJOCDNAF,Amino acids and Peptides,Small peptides,Aminoacids,Spinacia oleracea,317784.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Chenopodiaceae'],['Anserineae'],['Spinacia'],['Spinacia oleracea'],4,0,6.505302667617798 80295,3030,-1,,,,0.62632567,ISDB,DCXYFEDJOCDNAF-REOHCLBHSA-N,"InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1",NC(=O)C[C@H](N)C(=O)O,C4H8N2O3,,132.053492116,DCXYFEDJOCDNAF,Amino acids and Peptides,Small peptides,Aminoacids,Ocotea velloziana,1050964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea velloziana'],4,0,6.505302667617798 80296,3030,-1,,,,0.62632567,ISDB,DCXYFEDJOCDNAF-REOHCLBHSA-N,"InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1",NC(=O)C[C@H](N)C(=O)O,C4H8N2O3,,132.053492116,DCXYFEDJOCDNAF,Amino acids and Peptides,Small peptides,Aminoacids,Arnica montana,942734.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Madieae'],['Arnica'],['Arnica montana'],4,0,6.505302667617798 80297,3030,-1,,,,0.62632567,ISDB,DCXYFEDJOCDNAF-REOHCLBHSA-N,"InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1",NC(=O)C[C@H](N)C(=O)O,C4H8N2O3,,132.053492116,DCXYFEDJOCDNAF,Amino acids and Peptides,Small peptides,Aminoacids,Apium graveolens,2472.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Apieae'],['Apium'],['Apium graveolens'],4,0,6.505302667617798 80298,3030,-1,,,,0.62632567,ISDB,DCXYFEDJOCDNAF-UHFFFAOYSA-N,"InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)",NC(=O)CC(N)C(=O)O,C4H8N2O3,,132.053492116,DCXYFEDJOCDNAF,Amino acids and Peptides,Small peptides,Aminoacids,Pseudostellaria heterophylla,698777.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Alsineae'],['Pseudostellaria'],['Pseudostellaria heterophylla'],4,0,6.505302667617798 80299,3030,-1,,,,0.62632567,ISDB,DCXYFEDJOCDNAF-UHFFFAOYSA-N,"InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)",NC(=O)CC(N)C(=O)O,C4H8N2O3,,132.053492116,DCXYFEDJOCDNAF,Amino acids and Peptides,Small peptides,Aminoacids,Lemna perpusilla,483451.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Alismatales'],['Araceae'],['Unknown'],['Lemna'],['Lemna perpusilla'],4,0,6.505302667617798 80300,3030,-1,,,,0.62632567,ISDB,DCXYFEDJOCDNAF-REOHCLBHSA-N,"InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1",NC(=O)C[C@H](N)C(=O)O,C4H8N2O3,,132.053492116,DCXYFEDJOCDNAF,Amino acids and Peptides,Small peptides,Aminoacids,Morus australis,210689.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Morus'],['Morus australis'],4,0,6.505302667617798 80301,3030,-1,,,,0.62632567,ISDB,DCXYFEDJOCDNAF-REOHCLBHSA-N,"InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1",NC(=O)C[C@H](N)C(=O)O,C4H8N2O3,,132.053492116,DCXYFEDJOCDNAF,Amino acids and Peptides,Small peptides,Aminoacids,Morus bombycis,210686.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Morus'],['Morus bombycis'],4,0,6.505302667617798 80302,3030,-1,,,,0.62632567,ISDB,DCXYFEDJOCDNAF-REOHCLBHSA-N,"InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1",NC(=O)C[C@H](N)C(=O)O,C4H8N2O3,,132.053492116,DCXYFEDJOCDNAF,Amino acids and Peptides,Small peptides,Aminoacids,Morus indica,307703.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Morus'],['Morus indica'],4,0,6.505302667617798 80303,3030,-1,,,,0.62632567,ISDB,DCXYFEDJOCDNAF-REOHCLBHSA-N,"InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1",NC(=O)C[C@H](N)C(=O)O,C4H8N2O3,,132.053492116,DCXYFEDJOCDNAF,Amino acids and Peptides,Small peptides,Aminoacids,Morus alba,658488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Morus'],['Morus alba'],4,0,6.505302667617798 80304,3030,-1,,,,0.62632567,ISDB,DCXYFEDJOCDNAF-REOHCLBHSA-N,"InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1",NC(=O)C[C@H](N)C(=O)O,C4H8N2O3,,132.053492116,DCXYFEDJOCDNAF,Amino acids and Peptides,Small peptides,Aminoacids,Calendula officinalis,768229.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Calenduleae'],['Calendula'],['Calendula officinalis'],4,0,6.505302667617798 80305,3030,-1,,,,0.62632567,ISDB,DCXYFEDJOCDNAF-REOHCLBHSA-N,"InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1",NC(=O)C[C@H](N)C(=O)O,C4H8N2O3,,132.053492116,DCXYFEDJOCDNAF,Amino acids and Peptides,Small peptides,Aminoacids,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],4,0,6.505302667617798 80306,3030,-1,,,,0.62632567,ISDB,DCXYFEDJOCDNAF-REOHCLBHSA-N,"InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1",NC(=O)C[C@H](N)C(=O)O,C4H8N2O3,,132.053492116,DCXYFEDJOCDNAF,Amino acids and Peptides,Small peptides,Aminoacids,Telekia speciosa,959562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Telekia'],['Telekia speciosa'],4,0,6.505302667617798 80307,3030,-1,,,,0.62632567,ISDB,DCXYFEDJOCDNAF-REOHCLBHSA-N,"InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1",NC(=O)C[C@H](N)C(=O)O,C4H8N2O3,,132.053492116,DCXYFEDJOCDNAF,Amino acids and Peptides,Small peptides,Aminoacids,Helianthus annuus,515712.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Helianthus'],['Helianthus annuus'],4,0,6.505302667617798 80308,3030,-1,,,,0.62632567,ISDB,DCXYFEDJOCDNAF-REOHCLBHSA-N,"InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1",NC(=O)C[C@H](N)C(=O)O,C4H8N2O3,,132.053492116,DCXYFEDJOCDNAF,Amino acids and Peptides,Small peptides,Aminoacids,Artemisia absinthium,707473.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia absinthium'],4,0,6.505302667617798 80309,3030,-1,,,,0.62632567,ISDB,DCXYFEDJOCDNAF-REOHCLBHSA-N,"InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1",NC(=O)C[C@H](N)C(=O)O,C4H8N2O3,,132.053492116,DCXYFEDJOCDNAF,Amino acids and Peptides,Small peptides,Aminoacids,Castanea sativa,1028994.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Fagaceae'],['Unknown'],['Castanea'],['Castanea sativa'],4,0,6.505302667617798 80310,3030,-1,,,,0.62632567,ISDB,DCXYFEDJOCDNAF-REOHCLBHSA-N,"InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1",NC(=O)C[C@H](N)C(=O)O,C4H8N2O3,,132.053492116,DCXYFEDJOCDNAF,Amino acids and Peptides,Small peptides,Aminoacids,Catha edulis,282743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Catha'],['Catha edulis'],4,0,6.505302667617798 80311,3030,-1,,,,0.62632567,ISDB,DCXYFEDJOCDNAF-REOHCLBHSA-N,"InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1",NC(=O)C[C@H](N)C(=O)O,C4H8N2O3,,132.053492116,DCXYFEDJOCDNAF,Amino acids and Peptides,Small peptides,Aminoacids,Lupinus luteus,1086811.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Lupinus'],['Lupinus luteus'],4,0,6.505302667617798 80312,3030,-1,,,,0.62632567,ISDB,DCXYFEDJOCDNAF-REOHCLBHSA-N,"InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1",NC(=O)C[C@H](N)C(=O)O,C4H8N2O3,,132.053492116,DCXYFEDJOCDNAF,Amino acids and Peptides,Small peptides,Aminoacids,Bambusa vulgaris,1087322.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Bambuseae'],['Bambusa'],['Bambusa vulgaris'],4,0,6.505302667617798 80313,3030,-1,,,,0.62632567,ISDB,DCXYFEDJOCDNAF-UHFFFAOYSA-N,"InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)",NC(=O)CC(N)C(=O)O,C4H8N2O3,,132.053492116,DCXYFEDJOCDNAF,Amino acids and Peptides,Small peptides,Aminoacids,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],4,0,6.505302667617798 80314,3030,-1,,,,0.62632567,ISDB,DCXYFEDJOCDNAF-REOHCLBHSA-N,"InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1",NC(=O)C[C@H](N)C(=O)O,C4H8N2O3,,132.053492116,DCXYFEDJOCDNAF,Amino acids and Peptides,Small peptides,Aminoacids,Gossypium hirsutum,854480.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Gossypium'],['Gossypium hirsutum'],4,0,6.505302667617798 80315,3030,-1,,,,0.62632567,ISDB,DCXYFEDJOCDNAF-REOHCLBHSA-N,"InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1",NC(=O)C[C@H](N)C(=O)O,C4H8N2O3,,132.053492116,DCXYFEDJOCDNAF,Amino acids and Peptides,Small peptides,Aminoacids,Convolvulus arvensis,1071032.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Convolvulaceae'],['Convolvuleae'],['Convolvulus'],['Convolvulus arvensis'],4,0,6.505302667617798 80316,3030,-1,,,,0.62632567,ISDB,DCXYFEDJOCDNAF-REOHCLBHSA-N,"InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1",NC(=O)C[C@H](N)C(=O)O,C4H8N2O3,,132.053492116,DCXYFEDJOCDNAF,Amino acids and Peptides,Small peptides,Aminoacids,Capsella bursa-pastoris,833644.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Capsella'],['Capsella bursa-pastoris'],4,0,6.505302667617798 80317,3030,-1,,,,0.62632567,ISDB,DCXYFEDJOCDNAF-REOHCLBHSA-N,"InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1",NC(=O)C[C@H](N)C(=O)O,C4H8N2O3,,132.053492116,DCXYFEDJOCDNAF,Amino acids and Peptides,Small peptides,Aminoacids,Lotus burttii,152567.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus burttii'],4,0,6.505302667617798 80318,3030,-1,,,,0.62632567,ISDB,DCXYFEDJOCDNAF-REOHCLBHSA-N,"InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1",NC(=O)C[C@H](N)C(=O)O,C4H8N2O3,,132.053492116,DCXYFEDJOCDNAF,Amino acids and Peptides,Small peptides,Aminoacids,Lotus tenuis,484504.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus tenuis'],4,0,6.505302667617798 80319,3030,-1,,,,0.62632567,ISDB,DCXYFEDJOCDNAF-REOHCLBHSA-N,"InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1",NC(=O)C[C@H](N)C(=O)O,C4H8N2O3,,132.053492116,DCXYFEDJOCDNAF,Amino acids and Peptides,Small peptides,Aminoacids,Lotus creticus,472038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus creticus'],4,0,6.505302667617798 80320,3030,-1,,,,0.62632567,ISDB,DCXYFEDJOCDNAF-REOHCLBHSA-N,"InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1",NC(=O)C[C@H](N)C(=O)O,C4H8N2O3,,132.053492116,DCXYFEDJOCDNAF,Amino acids and Peptides,Small peptides,Aminoacids,Lotus corniculatus,183572.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus corniculatus'],4,0,6.505302667617798 80321,3030,-1,,,,0.62632567,ISDB,DCXYFEDJOCDNAF-REOHCLBHSA-N,"InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1",NC(=O)C[C@H](N)C(=O)O,C4H8N2O3,,132.053492116,DCXYFEDJOCDNAF,Amino acids and Peptides,Small peptides,Aminoacids,Lotus filicaulis,653433.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus filicaulis'],4,0,6.505302667617798 80322,3030,-1,,,,0.62632567,ISDB,DCXYFEDJOCDNAF-UHFFFAOYSA-N,"InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)",NC(=O)CC(N)C(=O)O,C4H8N2O3,,132.053492116,DCXYFEDJOCDNAF,Amino acids and Peptides,Small peptides,Aminoacids,Vitis vinifera,756728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Vitales'],['Vitaceae'],['Viteae'],['Vitis'],['Vitis vinifera'],4,0,6.505302667617798 80323,3030,-1,,,,0.62632567,ISDB,DCXYFEDJOCDNAF-UHFFFAOYSA-N,"InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)",NC(=O)CC(N)C(=O)O,C4H8N2O3,,132.053492116,DCXYFEDJOCDNAF,Amino acids and Peptides,Small peptides,Aminoacids,Psychotria punctata,171145.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Psychotrieae'],['Psychotria'],['Psychotria punctata'],4,0,6.505302667617798 80324,3030,-1,,,,0.62632567,ISDB,DCXYFEDJOCDNAF-REOHCLBHSA-N,"InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1",NC(=O)C[C@H](N)C(=O)O,C4H8N2O3,,132.053492116,DCXYFEDJOCDNAF,Amino acids and Peptides,Small peptides,Aminoacids,Atalantia buxifolia,778057.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Atalantia'],['Atalantia buxifolia'],4,0,6.505302667617798 80325,3030,-1,,,,0.62632567,ISDB,DCXYFEDJOCDNAF-UHFFFAOYSA-N,"InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)",NC(=O)CC(N)C(=O)O,C4H8N2O3,,132.053492116,DCXYFEDJOCDNAF,Amino acids and Peptides,Small peptides,Aminoacids,Ardisia crenata,776705.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Primulaceae'],['Unknown'],['Ardisia'],['Ardisia crenata'],4,0,6.505302667617798 80326,3030,-1,,,,0.62632567,ISDB,DCXYFEDJOCDNAF-REOHCLBHSA-N,"InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1",NC(=O)C[C@H](N)C(=O)O,C4H8N2O3,,132.053492116,DCXYFEDJOCDNAF,Amino acids and Peptides,Small peptides,Aminoacids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],4,0,6.505302667617798 80327,3030,-1,,,,0.62632567,ISDB,DCXYFEDJOCDNAF-REOHCLBHSA-N,"InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1",NC(=O)C[C@H](N)C(=O)O,C4H8N2O3,,132.053492116,DCXYFEDJOCDNAF,Amino acids and Peptides,Small peptides,Aminoacids,Pisum sativum,359905.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Fabeae'],['Pisum'],['Pisum sativum'],4,0,6.505302667617798 80328,3030,-1,,,,0.62632567,ISDB,DCXYFEDJOCDNAF-REOHCLBHSA-N,"InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1",NC(=O)C[C@H](N)C(=O)O,C4H8N2O3,,132.053492116,DCXYFEDJOCDNAF,Amino acids and Peptides,Small peptides,Aminoacids,Angelica gigas,941676.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Selineae'],['Angelica'],['Angelica gigas'],4,0,6.505302667617798 80329,3030,-1,,,,0.62632567,ISDB,DCXYFEDJOCDNAF-REOHCLBHSA-N,"InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1",NC(=O)C[C@H](N)C(=O)O,C4H8N2O3,,132.053492116,DCXYFEDJOCDNAF,Amino acids and Peptides,Small peptides,Aminoacids,Opuntia ficus-indica,396274.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Cactaceae'],['Unknown'],['Opuntia'],['Opuntia ficus-indica'],4,0,6.505302667617798 80330,3030,-1,,,,0.62632567,ISDB,DCXYFEDJOCDNAF-REOHCLBHSA-N,"InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1",NC(=O)C[C@H](N)C(=O)O,C4H8N2O3,,132.053492116,DCXYFEDJOCDNAF,Amino acids and Peptides,Small peptides,Aminoacids,Allium sativum,748370.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Allieae'],['Allium'],['Allium sativum'],4,0,6.505302667617798 80331,3030,-1,,,,0.62632567,ISDB,DCXYFEDJOCDNAF-REOHCLBHSA-N,"InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1",NC(=O)C[C@H](N)C(=O)O,C4H8N2O3,,132.053492116,DCXYFEDJOCDNAF,Amino acids and Peptides,Small peptides,Aminoacids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],4,0,6.505302667617798 80332,3030,-1,,,,0.62632567,ISDB,DCXYFEDJOCDNAF-REOHCLBHSA-N,"InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1",NC(=O)C[C@H](N)C(=O)O,C4H8N2O3,,132.053492116,DCXYFEDJOCDNAF,Amino acids and Peptides,Small peptides,Aminoacids,Lotus japonicus,1081728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus japonicus'],4,0,6.505302667617798 80333,3030,-1,,,,0.62632567,ISDB,DCXYFEDJOCDNAF-REOHCLBHSA-N,"InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1",NC(=O)C[C@H](N)C(=O)O,C4H8N2O3,,132.053492116,DCXYFEDJOCDNAF,Amino acids and Peptides,Small peptides,Aminoacids,Cajanus cajan,612448.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Cajanus'],['Cajanus cajan'],4,0,6.505302667617798 80334,3030,-1,,,,0.62632567,ISDB,DCXYFEDJOCDNAF-UHFFFAOYSA-N,"InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)",NC(=O)CC(N)C(=O)O,C4H8N2O3,,132.053492116,DCXYFEDJOCDNAF,Amino acids and Peptides,Small peptides,Aminoacids,Panax ginseng,524063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax ginseng'],4,0,6.505302667617798 80335,3030,-1,,,,0.62632567,ISDB,DCXYFEDJOCDNAF-REOHCLBHSA-N,"InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1",NC(=O)C[C@H](N)C(=O)O,C4H8N2O3,,132.053492116,DCXYFEDJOCDNAF,Amino acids and Peptides,Small peptides,Aminoacids,Psophocarpus tetragonolobus,116244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Psophocarpus'],['Psophocarpus tetragonolobus'],4,0,6.505302667617798 80336,3030,-1,,,,0.62632567,ISDB,DCXYFEDJOCDNAF-REOHCLBHSA-N,"InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1",NC(=O)C[C@H](N)C(=O)O,C4H8N2O3,,132.053492116,DCXYFEDJOCDNAF,Amino acids and Peptides,Small peptides,Aminoacids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],4,0,6.505302667617798 80337,3030,-1,,,,0.62632567,ISDB,DCXYFEDJOCDNAF-UHFFFAOYSA-N,"InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)",NC(=O)CC(N)C(=O)O,C4H8N2O3,,132.053492116,DCXYFEDJOCDNAF,Amino acids and Peptides,Small peptides,Aminoacids,Lemna aequinoctialis,290.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Alismatales'],['Araceae'],['Unknown'],['Lemna'],['Lemna aequinoctialis'],4,0,6.505302667617798 80273,3029,-1,,,,0.6577702,ISDB,LFBIHCZSRPAPHS-UHFFFAOYSA-N,"InChI=1S/C19H12O7/c1-23-16-9-15-11(6-13(16)20)7-17(19(22)26-15)24-12-4-2-10-3-5-18(21)25-14(10)8-12/h2-9,20H,1H3",COc1cc2oc(=O)c(Oc3ccc4ccc(=O)oc4c3)cc2cc1O,C19H12O7,,352.058302724,LFBIHCZSRPAPHS,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Eucalyptus viminalis,566581.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Eucalypteae'],['Eucalyptus'],['Eucalyptus viminalis'],4,0,6.631080865859985 80274,3029,-1,,,,0.6577702,ISDB,LFBIHCZSRPAPHS-UHFFFAOYSA-N,"InChI=1S/C19H12O7/c1-23-16-9-15-11(6-13(16)20)7-17(19(22)26-15)24-12-4-2-10-3-5-18(21)25-14(10)8-12/h2-9,20H,1H3",COc1cc2oc(=O)c(Oc3ccc4ccc(=O)oc4c3)cc2cc1O,C19H12O7,,352.058302724,LFBIHCZSRPAPHS,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Edgeworthia chrysantha,268293.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Thymelaeaceae'],['Unknown'],['Edgeworthia'],['Edgeworthia chrysantha'],4,0,6.631080865859985 80275,3029,-1,,,,0.6577702,ISDB,LFBIHCZSRPAPHS-UHFFFAOYSA-N,"InChI=1S/C19H12O7/c1-23-16-9-15-11(6-13(16)20)7-17(19(22)26-15)24-12-4-2-10-3-5-18(21)25-14(10)8-12/h2-9,20H,1H3",COc1cc2oc(=O)c(Oc3ccc4ccc(=O)oc4c3)cc2cc1O,C19H12O7,,352.058302724,LFBIHCZSRPAPHS,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Ruta montana,397678.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Ruta'],['Ruta montana'],4,0,6.631080865859985 80271,3026,297,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,SWGKAHCIOQPKFW-JTNORFRNSA-N,"InChI=1S/C13H12O9/c14-7-3-1-6(5-8(7)15)2-4-9(16)22-11(13(20)21)10(17)12(18)19/h1-5,10-11,14-15,17H,(H,18,19)(H,20,21)/b4-2+/t10-,11-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H](C(=O)O)[C@@H](O)C(=O)O,C13H12O9,pos_1_sodium,312.04813196399994,SWGKAHCIOQPKFW,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Hydrastis canadensis,1072050.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Hydrastis'],['Hydrastis canadensis'],6,3,7.5 80272,3026,297,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,SWGKAHCIOQPKFW-JTNORFRNSA-N,"InChI=1S/C13H12O9/c14-7-3-1-6(5-8(7)15)2-4-9(16)22-11(13(20)21)10(17)12(18)19/h1-5,10-11,14-15,17H,(H,18,19)(H,20,21)/b4-2+/t10-,11-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H](C(=O)O)[C@@H](O)C(=O)O,C13H12O9,pos_1_sodium,312.04813196399994,SWGKAHCIOQPKFW,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Hydrastis canadensis,1072050.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Hydrastis'],['Hydrastis canadensis'],6,3,7.5 80269,3024,-1,,,,0.0,MS1_match,GFWVOYYNAJHXJE-DRKGPFKDSA-N,"InChI=1S/C24H28O15/c25-5-13-17(28)19(30)21(32)24(38-13)36-7-14-18(29)20(31)22(33)23(39-14)35-6-8-3-10(26)15-12(37-8)4-11-9(16(15)27)1-2-34-11/h1-4,13-14,17-25,27-33H,5-7H2/t13-,14-,17-,18-,19+,20+,21-,22-,23-,24-/m1/s1",O=c1cc(CO[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)oc2cc3occc3c(O)c12,C24H28O15,pos_1_sodium,556.142820196,GFWVOYYNAJHXJE,Polyketides,Chromanes,Chromones,Eranthis hyemalis,756503.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Eranthis'],['Eranthis hyemalis'],6,0,6.0 80270,3024,-1,,,,0.0,MS1_match,GFWVOYYNAJHXJE-DRKGPFKDSA-N,"InChI=1S/C24H28O15/c25-5-13-17(28)19(30)21(32)24(38-13)36-7-14-18(29)20(31)22(33)23(39-14)35-6-8-3-10(26)15-12(37-8)4-11-9(16(15)27)1-2-34-11/h1-4,13-14,17-25,27-33H,5-7H2/t13-,14-,17-,18-,19+,20+,21-,22-,23-,24-/m1/s1",O=c1cc(CO[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)oc2cc3occc3c(O)c12,C24H28O15,pos_1_sodium,556.142820196,GFWVOYYNAJHXJE,Polyketides,Chromanes,Chromones,Eranthis cilicica,5922989.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Eranthis'],['Eranthis cilicica'],6,0,6.0 80267,3023,-1,,,,0.0,MS1_match,XNIDEUYQVRRKJJ-FZPNTLRJSA-N,"InChI=1S/C35H34O18/c1-15(36)44-14-27-31(48-19(5)40)33(49-20(6)41)34(50-21(7)42)35(52-27)53-32-29(43)28-25(47-18(4)39)12-24(46-17(3)38)13-26(28)51-30(32)22-8-10-23(11-9-22)45-16(2)37/h8-13,27,31,33-35H,14H2,1-7H3/t27-,31-,33+,34-,35+/m1/s1",CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(OC(C)=O)cc3)oc3cc(OC(C)=O)cc(OC(C)=O)c3c2=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C35H34O18,pos_3_1proton2sodium,742.1745142480002,XNIDEUYQVRRKJJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Staphisagria macrosperma,969162.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Staphisagria'],['Staphisagria macrosperma'],6,0,6.0 80268,3023,-1,,,,0.0,MS1_match,XNIDEUYQVRRKJJ-FZPNTLRJSA-N,"InChI=1S/C35H34O18/c1-15(36)44-14-27-31(48-19(5)40)33(49-20(6)41)34(50-21(7)42)35(52-27)53-32-29(43)28-25(47-18(4)39)12-24(46-17(3)38)13-26(28)51-30(32)22-8-10-23(11-9-22)45-16(2)37/h8-13,27,31,33-35H,14H2,1-7H3/t27-,31-,33+,34-,35+/m1/s1",CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(OC(C)=O)cc3)oc3cc(OC(C)=O)cc(OC(C)=O)c3c2=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C35H34O18,pos_3_1proton2sodium,742.1745142480002,XNIDEUYQVRRKJJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Delphinium staphisagria,969162.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Staphisagria'],['Staphisagria macrosperma'],6,0,6.0 79529,3022,186,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.6331482,ISDB,MYXNWGACZJSMBT-VJXVFPJBSA-N,"InChI=1S/C21H20O10/c22-7-14-17(26)19(28)20(29)21(31-14)16-11(25)6-13-15(18(16)27)10(24)5-12(30-13)8-1-3-9(23)4-2-8/h1-6,14,17,19-23,25-29H,7H2/t14-,17-,19+,20-,21+/m1/s1",O=c1cc(-c2ccc(O)cc2)oc2cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12,C21H20O10,,432.10564684,MYXNWGACZJSMBT,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Thalictrum minus,491705.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum minus'],6,3,10.0325927734375 79530,3022,186,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.6331482,ISDB,MYXNWGACZJSMBT-VJXVFPJBSA-N,"InChI=1S/C21H20O10/c22-7-14-17(26)19(28)20(29)21(31-14)16-11(25)6-13-15(18(16)27)10(24)5-12(30-13)8-1-3-9(23)4-2-8/h1-6,14,17,19-23,25-29H,7H2/t14-,17-,19+,20-,21+/m1/s1",O=c1cc(-c2ccc(O)cc2)oc2cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12,C21H20O10,,432.10564684,MYXNWGACZJSMBT,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Ranunculus repens,310805.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus repens'],6,3,10.0325927734375 79394,3020,-1,,,,0.21762525,ISDB,DZGWFCGJZKJUFP-UHFFFAOYSA-N,"InChI=1S/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2",NCCc1ccc(O)cc1,C8H11NO,,137.084063972,DZGWFCGJZKJUFP,Alkaloids,Tyrosine alkaloids,Phenylethylamines,Clematis parviloba,5737758.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis parviloba'],8,0,8.870500981807709 79392,3016,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,SWGKAHCIOQPKFW-JTNORFRNSA-N,"InChI=1S/C13H12O9/c14-7-3-1-6(5-8(7)15)2-4-9(16)22-11(13(20)21)10(17)12(18)19/h1-5,10-11,14-15,17H,(H,18,19)(H,20,21)/b4-2+/t10-,11-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H](C(=O)O)[C@@H](O)C(=O)O,C13H12O9,pos_1_1proton,312.04813196399994,SWGKAHCIOQPKFW,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Hydrastis canadensis,1072050.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Hydrastis'],['Hydrastis canadensis'],6,3,7.5 79393,3016,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,SWGKAHCIOQPKFW-JTNORFRNSA-N,"InChI=1S/C13H12O9/c14-7-3-1-6(5-8(7)15)2-4-9(16)22-11(13(20)21)10(17)12(18)19/h1-5,10-11,14-15,17H,(H,18,19)(H,20,21)/b4-2+/t10-,11-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H](C(=O)O)[C@@H](O)C(=O)O,C13H12O9,pos_1_1proton,312.04813196399994,SWGKAHCIOQPKFW,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Hydrastis canadensis,1072050.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Hydrastis'],['Hydrastis canadensis'],6,3,7.5 79377,3015,473,,,,0.0,MS1_match,TYWXNGXVSZRXNA-NVZSGMJQSA-N,"InChI=1S/C11H16O8/c12-3-6-8(14)9(15)10(16)11(19-6)17-4-5-1-2-7(13)18-5/h1-2,5-6,8-12,14-16H,3-4H2/t5-,6+,8+,9-,10+,11+/m0/s1",O=C1C=C[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O1,C11H16O8,pos_1_sodium,276.084517472,TYWXNGXVSZRXNA,,,,Clematis ligusticifolia,964063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis ligusticifolia'],8,0,8.0 79373,3014,-1,,,,0.0,MS1_match,QBXRXORKIXERDE-JJPYBHRJSA-N,"InChI=1S/C42H46O25/c43-11-23-28(52)32(56)35(59)40(62-23)60-16-9-21(50)27-22(10-16)61-36(15-3-5-18(47)20(49)8-15)37(31(27)55)66-42-39(34(58)30(54)25(13-45)64-42)67-41-38(33(57)29(53)24(12-44)63-41)65-26(51)6-2-14-1-4-17(46)19(48)7-14/h1-10,23-25,28-30,32-35,38-50,52-54,56-59H,11-13H2/b6-2+/t23-,24+,25+,28+,29+,30+,32-,33-,34-,35+,38-,39-,40+,41-,42-/m0/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1[C@H](O[C@@H]2[C@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O[C@@H]5O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc(O)c4c3=O)O[C@H](CO)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O,C42H46O25,pos_1_1proton1ammonium,950.232816972,QBXRXORKIXERDE,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus biternatus,692884.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus biternatus'],6,0,6.0 79374,3014,-1,,,,0.0,MS1_match,QBXRXORKIXERDE-JJPYBHRJSA-N,"InChI=1S/C42H46O25/c43-11-23-28(52)32(56)35(59)40(62-23)60-16-9-21(50)27-22(10-16)61-36(15-3-5-18(47)20(49)8-15)37(31(27)55)66-42-39(34(58)30(54)25(13-45)64-42)67-41-38(33(57)29(53)24(12-44)63-41)65-26(51)6-2-14-1-4-17(46)19(48)7-14/h1-10,23-25,28-30,32-35,38-50,52-54,56-59H,11-13H2/b6-2+/t23-,24+,25+,28+,29+,30+,32-,33-,34-,35+,38-,39-,40+,41-,42-/m0/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1[C@H](O[C@@H]2[C@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O[C@@H]5O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc(O)c4c3=O)O[C@H](CO)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O,C42H46O25,pos_1_1proton1ammonium,950.232816972,QBXRXORKIXERDE,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus pseudotrullifolius,456902.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus pseudotrullifolius'],6,0,6.0 79375,3014,-1,,,,0.0,MS1_match,QBXRXORKIXERDE-JJPYBHRJSA-N,"InChI=1S/C42H46O25/c43-11-23-28(52)32(56)35(59)40(62-23)60-16-9-21(50)27-22(10-16)61-36(15-3-5-18(47)20(49)8-15)37(31(27)55)66-42-39(34(58)30(54)25(13-45)64-42)67-41-38(33(57)29(53)24(12-44)63-41)65-26(51)6-2-14-1-4-17(46)19(48)7-14/h1-10,23-25,28-30,32-35,38-50,52-54,56-59H,11-13H2/b6-2+/t23-,24+,25+,28+,29+,30+,32-,33-,34-,35+,38-,39-,40+,41-,42-/m0/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1[C@H](O[C@@H]2[C@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O[C@@H]5O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc(O)c4c3=O)O[C@H](CO)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O,C42H46O25,pos_1_1proton1ammonium,950.232816972,QBXRXORKIXERDE,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus moseleyi,6132641.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus moseleyi'],6,0,6.0 79376,3014,-1,,,,0.0,MS1_match,QBXRXORKIXERDE-QLYLRAMCSA-N,"InChI=1S/C42H46O25/c43-11-23-28(52)32(56)35(59)40(62-23)60-16-9-21(50)27-22(10-16)61-36(15-3-5-18(47)20(49)8-15)37(31(27)55)66-42-39(34(58)30(54)25(13-45)64-42)67-41-38(33(57)29(53)24(12-44)63-41)65-26(51)6-2-14-1-4-17(46)19(48)7-14/h1-10,23-25,28-30,32-35,38-50,52-54,56-59H,11-13H2/b6-2+/t23-,24-,25-,28-,29-,30-,32+,33+,34+,35-,38-,39-,40-,41+,42+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O[C@H]2[C@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc(O)c4c3=O)O[C@H](CO)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O,C42H46O25,pos_1_1proton1ammonium,950.232816972,QBXRXORKIXERDE,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus peltatus,816424.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus peltatus'],6,0,6.0 79361,3012,290,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,TZPMVVDDEWYHIB-VWXBVBANSA-N,"InChI=1S/C42H46O24/c1-14-28(50)32(54)35(57)40(60-14)61-17-10-22(48)27-23(11-17)62-37(16-4-6-19(45)21(47)9-16)38(31(27)53)65-42-39(34(56)29(51)24(12-43)63-42)66-41-36(58)33(55)30(52)25(64-41)13-59-26(49)7-3-15-2-5-18(44)20(46)8-15/h2-11,14,24-25,28-30,32-36,39-48,50-52,54-58H,12-13H2,1H3/b7-3+/t14-,24+,25+,28-,29+,30+,32+,33-,34-,35+,36+,39+,40-,41-,42-/m0/s1",C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](COC(=O)/C=C/c5ccc(O)c(O)c5)[C@@H](O)[C@H](O)[C@H]4O)c(-c4ccc(O)c(O)c4)oc3c2)[C@H](O)[C@H](O)[C@H]1O,C42H46O24,pos_1_1proton1ammonium,934.237902352,TZPMVVDDEWYHIB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Aconitum napellus,586780.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum napellus'],6,3,7.5 79362,3012,290,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,TZPMVVDDEWYHIB-QBZXYKHESA-N,"InChI=1S/C42H46O24/c1-14-28(50)32(54)35(57)40(60-14)61-17-10-22(48)27-23(11-17)62-37(16-4-6-19(45)21(47)9-16)38(31(27)53)65-42-39(34(56)29(51)24(12-43)63-42)66-41-36(58)33(55)30(52)25(64-41)13-59-26(49)7-3-15-2-5-18(44)20(46)8-15/h2-11,14,24-25,28-30,32-36,39-48,50-52,54-58H,12-13H2,1H3/b7-3+/t14-,24+,25+,28-,29+,30+,32+,33-,34-,35+,36+,39+,40+,41-,42-/m1/s1",C[C@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O[C@H]4O[C@@H](COC(=O)/C=C/c5ccc(O)c(O)c5)[C@H](O)[C@@H](O)[C@@H]4O)c(-c4ccc(O)c(O)c4)oc3c2)[C@@H](O)[C@@H](O)[C@@H]1O,C42H46O24,pos_1_1proton1ammonium,934.237902352,TZPMVVDDEWYHIB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Aconitum baicalense,1014257.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum baicalense'],6,3,7.5 79363,3012,290,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,BAYNPTIBKPKGFB-WARGXTRISA-N,"InChI=1S/C42H46O24/c1-14-28(50)38(65-41-35(57)33(55)30(52)25(64-41)13-59-26(49)7-3-15-2-5-18(44)20(46)8-15)36(58)42(60-14)61-17-10-22(48)27-23(11-17)62-37(16-4-6-19(45)21(47)9-16)39(31(27)53)66-40-34(56)32(54)29(51)24(12-43)63-40/h2-11,14,24-25,28-30,32-36,38,40-48,50-52,54-58H,12-13H2,1H3/b7-3+/t14-,24-,25-,28-,29-,30-,32+,33+,34-,35-,36-,38+,40+,41+,42+/m0/s1",C[C@@H]1O[C@H](Oc2cc(O)c3c(=O)c(O[C@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)c(-c4ccc(O)c(O)c4)oc3c2)[C@@H](O)[C@H](O[C@H]2O[C@@H](COC(=O)/C=C/c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H]1O,C42H46O24,pos_1_1proton1ammonium,934.237902352,BAYNPTIBKPKGFB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Aconitum napellus,586780.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum napellus'],6,3,7.5 79364,3012,290,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,BAYNPTIBKPKGFB-XYCWGEMUSA-N,"InChI=1S/C42H46O24/c1-14-28(50)38(65-41-35(57)33(55)30(52)25(64-41)13-59-26(49)7-3-15-2-5-18(44)20(46)8-15)36(58)42(60-14)61-17-10-22(48)27-23(11-17)62-37(16-4-6-19(45)21(47)9-16)39(31(27)53)66-40-34(56)32(54)29(51)24(12-43)63-40/h2-11,14,24-25,28-30,32-36,38,40-48,50-52,54-58H,12-13H2,1H3/b7-3+/t14-,24+,25+,28-,29+,30+,32-,33-,34+,35+,36+,38+,40-,41-,42-/m0/s1",C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(-c4ccc(O)c(O)c4)oc3c2)[C@H](O)[C@H](O[C@@H]2O[C@H](COC(=O)/C=C/c3ccc(O)c(O)c3)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C42H46O24,pos_1_1proton1ammonium,934.237902352,BAYNPTIBKPKGFB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Aconitum burnatii,3944952.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum burnatii'],6,3,7.5 79365,3012,290,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,MWAUOMXEJMQMFW-UNMXIFFRSA-N,"InChI=1S/C42H46O24/c1-14-28(50)34(56)39(66-41-36(58)33(55)30(52)25(64-41)13-59-26(49)7-3-15-2-5-18(44)20(46)8-15)42(60-14)61-17-10-22(48)27-23(11-17)62-37(16-4-6-19(45)21(47)9-16)38(31(27)53)65-40-35(57)32(54)29(51)24(12-43)63-40/h2-11,14,24-25,28-30,32-36,39-48,50-52,54-58H,12-13H2,1H3/b7-3+/t14-,24+,25+,28-,29+,30+,32-,33-,34+,35+,36+,39+,40-,41-,42-/m0/s1",C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(-c4ccc(O)c(O)c4)oc3c2)[C@H](O[C@@H]2O[C@H](COC(=O)/C=C/c3ccc(O)c(O)c3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O,C42H46O24,pos_1_1proton1ammonium,934.237902352,MWAUOMXEJMQMFW,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Aconitum jaluense,549539.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum jaluense'],6,3,7.5 79366,3012,290,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,MWAUOMXEJMQMFW-UNMXIFFRSA-N,"InChI=1S/C42H46O24/c1-14-28(50)34(56)39(66-41-36(58)33(55)30(52)25(64-41)13-59-26(49)7-3-15-2-5-18(44)20(46)8-15)42(60-14)61-17-10-22(48)27-23(11-17)62-37(16-4-6-19(45)21(47)9-16)38(31(27)53)65-40-35(57)32(54)29(51)24(12-43)63-40/h2-11,14,24-25,28-30,32-36,39-48,50-52,54-58H,12-13H2,1H3/b7-3+/t14-,24+,25+,28-,29+,30+,32-,33-,34+,35+,36+,39+,40-,41-,42-/m0/s1",C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(-c4ccc(O)c(O)c4)oc3c2)[C@H](O[C@@H]2O[C@H](COC(=O)/C=C/c3ccc(O)c(O)c3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O,C42H46O24,pos_1_1proton1ammonium,934.237902352,MWAUOMXEJMQMFW,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Aconitum chiisanense,921879.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum chiisanense'],6,3,7.5 79367,3012,290,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,BNYDLXBTNLOWPZ-YYCMBSPASA-N,"InChI=1S/C42H46O24/c1-14-28(50)32(54)35(57)40(60-14)61-17-10-22(48)27-23(11-17)62-37(16-4-6-19(45)21(47)9-16)38(31(27)53)65-42-39(66-41-36(58)33(55)29(51)24(12-43)63-41)34(56)30(52)25(64-42)13-59-26(49)7-3-15-2-5-18(44)20(46)8-15/h2-11,14,24-25,28-30,32-36,39-48,50-52,54-58H,12-13H2,1H3/b7-3+/t14-,24-,25+,28-,29+,30+,32+,33-,34-,35-,36+,39+,40-,41-,42-/m0/s1",C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@H](COC(=O)/C=C/c5ccc(O)c(O)c5)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(-c4ccc(O)c(O)c4)oc3c2)[C@@H](O)[C@H](O)[C@H]1O,C42H46O24,pos_1_1proton1ammonium,934.2379023520002,BNYDLXBTNLOWPZ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Aconitum baicalense,1014257.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum baicalense'],6,3,7.5 79368,3012,290,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,DBYRCYCHEZRNKW-CVSCXZIBSA-N,"InChI=1S/C42H46O24/c43-12-23-28(51)32(55)35(58)40(61-23)59-18-10-21(49)27-22(11-18)60-36(16-4-7-19(47)20(48)9-16)37(31(27)54)65-42-39(34(57)30(53)25(14-45)63-42)66-41-38(33(56)29(52)24(13-44)62-41)64-26(50)8-3-15-1-5-17(46)6-2-15/h1-11,23-25,28-30,32-35,38-49,51-53,55-58H,12-14H2/b8-3+/t23-,24+,25-,28+,29+,30+,32+,33-,34-,35-,38+,39-,40+,41-,42-/m0/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O[C@@H]2[C@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O[C@@H]5O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]5O)cc(O)c4c3=O)O[C@@H](CO)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O,C42H46O24,pos_1_1proton1ammonium,934.237902352,DBYRCYCHEZRNKW,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus biternatus,692884.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus biternatus'],6,3,7.5 79369,3012,290,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,DBYRCYCHEZRNKW-CVSCXZIBSA-N,"InChI=1S/C42H46O24/c43-12-23-28(51)32(55)35(58)40(61-23)59-18-10-21(49)27-22(11-18)60-36(16-4-7-19(47)20(48)9-16)37(31(27)54)65-42-39(34(57)30(53)25(14-45)63-42)66-41-38(33(56)29(52)24(13-44)62-41)64-26(50)8-3-15-1-5-17(46)6-2-15/h1-11,23-25,28-30,32-35,38-49,51-53,55-58H,12-14H2/b8-3+/t23-,24+,25-,28+,29+,30+,32+,33-,34-,35-,38+,39-,40+,41-,42-/m0/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O[C@@H]2[C@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O[C@@H]5O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]5O)cc(O)c4c3=O)O[C@@H](CO)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O,C42H46O24,pos_1_1proton1ammonium,934.237902352,DBYRCYCHEZRNKW,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus pseudotrullifolius,456902.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus pseudotrullifolius'],6,3,7.5 79370,3012,290,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,DBYRCYCHEZRNKW-CVSCXZIBSA-N,"InChI=1S/C42H46O24/c43-12-23-28(51)32(55)35(58)40(61-23)59-18-10-21(49)27-22(11-18)60-36(16-4-7-19(47)20(48)9-16)37(31(27)54)65-42-39(34(57)30(53)25(14-45)63-42)66-41-38(33(56)29(52)24(13-44)62-41)64-26(50)8-3-15-1-5-17(46)6-2-15/h1-11,23-25,28-30,32-35,38-49,51-53,55-58H,12-14H2/b8-3+/t23-,24+,25-,28+,29+,30+,32+,33-,34-,35-,38+,39-,40+,41-,42-/m0/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O[C@@H]2[C@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O[C@@H]5O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]5O)cc(O)c4c3=O)O[C@@H](CO)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O,C42H46O24,pos_1_1proton1ammonium,934.237902352,DBYRCYCHEZRNKW,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus moseleyi,6132641.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus moseleyi'],6,3,7.5 79371,3012,290,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,DBYRCYCHEZRNKW-MDGSKLIASA-N,"InChI=1S/C42H46O24/c43-12-23-28(51)32(55)35(58)40(61-23)59-18-10-21(49)27-22(11-18)60-36(16-4-7-19(47)20(48)9-16)37(31(27)54)65-42-39(34(57)30(53)25(14-45)63-42)66-41-38(33(56)29(52)24(13-44)62-41)64-26(50)8-3-15-1-5-17(46)6-2-15/h1-11,23-25,28-30,32-35,38-49,51-53,55-58H,12-14H2/b8-3+/t23-,24-,25-,28-,29-,30-,32+,33+,34+,35-,38-,39-,40-,41+,42+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O[C@H]2[C@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc(O)c4c3=O)O[C@H](CO)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O,C42H46O24,pos_1_1proton1ammonium,934.237902352,DBYRCYCHEZRNKW,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus lanuginosus,714306.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus lanuginosus'],6,3,7.5 79372,3012,290,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JAZBWZUFPUBNJK-HVHNSLKISA-N,"InChI=1S/C42H46O24/c1-58-23-8-15(2-5-19(23)46)3-7-27(50)64-38-29(51)22(49)14-59-41(38)66-39-34(56)31(53)26(13-44)63-42(39)65-37-32(54)28-21(48)10-17(60-40-35(57)33(55)30(52)25(12-43)62-40)11-24(28)61-36(37)16-4-6-18(45)20(47)9-16/h2-11,22,25-26,29-31,33-35,38-49,51-53,55-57H,12-14H2,1H3/b7-3+/t22-,25+,26-,29-,30-,31-,33+,34+,35+,38-,39-,40-,41-,42+/m1/s1",COc1cc(/C=C/C(=O)O[C@H]2[C@@H](O[C@H]3[C@H](Oc4c(-c5ccc(O)c(O)c5)oc5cc(O[C@@H]6O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]6O)cc(O)c5c4=O)O[C@H](CO)[C@@H](O)[C@@H]3O)OC[C@@H](O)[C@H]2O)ccc1O,C42H46O24,pos_1_1proton1ammonium,934.237902352,JAZBWZUFPUBNJK,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus,387812.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Unknown'],6,3,7.5 79360,3005,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,BOPNBEMHPYANDR-QSHXVNPLSA-N,"InChI=1S/C17H22O11/c1-5(20)10-6(21)2-7(22)11(13(10)24)15-9(4-19)26-16-14(25)12(23)8(3-18)27-17(16)28-15/h2,8-9,12,14-19,21-25H,3-4H2,1H3/t8-,9+,12-,14+,15-,16-,17+/m1/s1",CC(=O)c1c(O)cc(O)c([C@@H]2O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@H]2CO)c1O,C17H22O11,pos_1_1proton1acetonitrile,402.116211524,BOPNBEMHPYANDR,Polyketides,Phloroglucinols,Acyl phloroglucinols,Eriocapitella tomentosa,5737682.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Anemone'],['Anemone tomentosa'],7,0,7.0 79309,3003,64,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,IKGXIBQEEMLURG-NVPNHPEKSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O16,pos_2_2sodium,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Clematis stans,21283.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis stans'],8,1,8.5 79310,3003,64,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,IKGXIBQEEMLURG-NVPNHPEKSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O16,pos_2_2sodium,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Clematis koreana,3945134.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis koreana'],8,1,8.5 79311,3003,64,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,IKGXIBQEEMLURG-NVPNHPEKSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O16,pos_2_2sodium,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Clematis terniflora,21289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis terniflora'],8,1,8.5 79312,3003,64,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,IKGXIBQEEMLURG-NVPNHPEKSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O16,pos_2_2sodium,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Clematis stans,21283.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis stans'],8,1,8.5 79313,3003,64,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,IKGXIBQEEMLURG-NVPNHPEKSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O16,pos_2_2sodium,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Clematis terniflora,21289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis terniflora'],8,1,8.5 79314,3003,64,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,IKGXIBQEEMLURG-NVPNHPEKSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O16,pos_2_2sodium,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Clematis koreana,3945134.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis koreana'],8,1,8.5 79102,3002,146,Carbohydrates,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Cephalaria nachiczevanica,6061192.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Cephalaria'],['Cephalaria nachiczevanica'],6,3,7.5 79103,3002,146,Carbohydrates,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Cephalaria procera,6061197.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Cephalaria'],['Cephalaria procera'],6,3,7.5 79104,3002,146,Carbohydrates,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Dipsacus inermis,776357.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Dipsacus'],['Dipsacus inermis'],6,3,7.5 79105,3002,146,Carbohydrates,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Dipsacus asper,365911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Dipsacus'],['Dipsacus asper'],6,3,7.5 79106,3002,146,Carbohydrates,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Cephalaria nachiczevanica,6061192.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Cephalaria'],['Cephalaria nachiczevanica'],6,3,7.5 79107,3002,146,Carbohydrates,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Cephalaria kotschyi,6061197.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Cephalaria'],['Cephalaria procera'],6,3,7.5 79108,3002,146,Carbohydrates,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Cephalaria procera,6061197.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Cephalaria'],['Cephalaria procera'],6,3,7.5 79109,3002,146,Carbohydrates,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Dipsacus inermis,776357.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Dipsacus'],['Dipsacus inermis'],6,3,7.5 79110,3002,146,Carbohydrates,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Dipsacus asper,365911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Dipsacus'],['Dipsacus asper'],6,3,7.5 79111,3002,146,Carbohydrates,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Cephalaria kotschyi,6061197.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Cephalaria'],['Cephalaria procera'],6,3,7.5 79101,3001,-1,,,,0.4557366,ISDB,DHRIZUTVXJEWCC-UHFFFAOYSA-N,"InChI=1S/C22H22O10/c1-28-12-6-17(29-2)19-14(25)8-16(31-18(19)7-12)11-3-4-15(13(24)5-11)32-21-20(26)22(27,9-23)10-30-21/h3-8,20-21,23-24,26-27H,9-10H2,1-2H3",COc1cc(OC)c2c(=O)cc(-c3ccc(OC4OCC(O)(CO)C4O)c(O)c3)oc2c1,C22H22O10,,446.121296904,DHRIZUTVXJEWCC,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Strobilanthes formosana,119923.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Acanthaceae'],['Ruellieae'],['Strobilanthes'],['Strobilanthes formosana'],4,0,5.8229464292526245 79099,2996,21,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QJVXKWHHAMZTBY-GCPOEHJPSA-N,"InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3+/t12-,13-,14+,15-,17+/m1/s1",COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H24O9,pos_1_1proton1acetonitrile,372.142032348,QJVXKWHHAMZTBY,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Clematis hexapetala,226633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis hexapetala'],8,0,8.0 79100,2996,21,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QJVXKWHHAMZTBY-GCPOEHJPSA-N,"InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3+/t12-,13-,14+,15-,17+/m1/s1",COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H24O9,pos_1_1proton1acetonitrile,372.142032348,QJVXKWHHAMZTBY,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Clematis hexapetala,226633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis hexapetala'],8,0,8.0 78954,2993,1335,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.633109,ISDB,FUGYGGDSWSUORM-UHFFFAOYSA-N,"InChI=1S/C8H8O/c1-2-7-3-5-8(9)6-4-7/h2-6,9H,1H2",C=Cc1ccc(O)cc1,C8H8O,,120.057514876,FUGYGGDSWSUORM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Papaver somniferum,438118.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver somniferum'],5,3,9.032435894012451 78939,2991,-1,,,,0.0,MS1_match,TYWXNGXVSZRXNA-NVZSGMJQSA-N,"InChI=1S/C11H16O8/c12-3-6-8(14)9(15)10(16)11(19-6)17-4-5-1-2-7(13)18-5/h1-2,5-6,8-12,14-16H,3-4H2/t5-,6+,8+,9-,10+,11+/m0/s1",O=C1C=C[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O1,C11H16O8,pos_2MK,276.084517472,TYWXNGXVSZRXNA,,,,Clematis ligusticifolia,964063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis ligusticifolia'],8,0,8.0 78924,2990,165,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,TYWXNGXVSZRXNA-NVZSGMJQSA-N,"InChI=1S/C11H16O8/c12-3-6-8(14)9(15)10(16)11(19-6)17-4-5-1-2-7(13)18-5/h1-2,5-6,8-12,14-16H,3-4H2/t5-,6+,8+,9-,10+,11+/m0/s1",O=C1C=C[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O1,C11H16O8,pos_2MH,276.084517472,TYWXNGXVSZRXNA,,,,Clematis ligusticifolia,964063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis ligusticifolia'],8,0,8.0 78909,2989,165,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,TYWXNGXVSZRXNA-NVZSGMJQSA-N,"InChI=1S/C11H16O8/c12-3-6-8(14)9(15)10(16)11(19-6)17-4-5-1-2-7(13)18-5/h1-2,5-6,8-12,14-16H,3-4H2/t5-,6+,8+,9-,10+,11+/m0/s1",O=C1C=C[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O1,C11H16O8,pos_2MHNH3,276.084517472,TYWXNGXVSZRXNA,,,,Clematis ligusticifolia,964063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis ligusticifolia'],8,0,8.0 77456,2987,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.8768141,ISDB,IKGXIBQEEMLURG-NVPNHPEKSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O16,,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Clematis koreana,3945134.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis koreana'],8,3,13.007256507873535 77457,2987,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.8768141,ISDB,IKGXIBQEEMLURG-NVPNHPEKSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O16,,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Clematis stans,21283.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis stans'],8,3,13.007256507873535 77458,2987,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.8768141,ISDB,IKGXIBQEEMLURG-NVPNHPEKSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O16,,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Clematis terniflora,21289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis terniflora'],8,3,13.007256507873535 77454,2986,-1,,,,0.0,MS1_match,CVLKSGMETVVYCI-KEOMQFIYSA-N,"InChI=1S/C28H32O16/c1-37-15-7-11-3-5-13(15)41-27-23(33)21(31)19(29)17(43-27)10-40-26(36)12-4-6-14(16(8-12)38-2)42-28-24(34)22(32)20(30)18(44-28)9-39-25(11)35/h3-8,17-24,27-34H,9-10H2,1-2H3/t17-,18-,19-,20-,21-,22+,23-,24-,27-,28-/m1/s1",COc1cc2ccc1O[C@@H]1O[C@H](COC(=O)c3ccc(c(OC)c3)O[C@@H]3O[C@H](COC2=O)[C@@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]1O,C28H32O16,pos_2_2sodium,624.169034944,CVLKSGMETVVYCI,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Clematis hexapetala,226633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis hexapetala'],8,0,8.0 77455,2986,-1,,,,0.0,MS1_match,CVLKSGMETVVYCI-KEOMQFIYSA-N,"InChI=1S/C28H32O16/c1-37-15-7-11-3-5-13(15)41-27-23(33)21(31)19(29)17(43-27)10-40-26(36)12-4-6-14(16(8-12)38-2)42-28-24(34)22(32)20(30)18(44-28)9-39-25(11)35/h3-8,17-24,27-34H,9-10H2,1-2H3/t17-,18-,19-,20-,21-,22+,23-,24-,27-,28-/m1/s1",COc1cc2ccc1O[C@@H]1O[C@H](COC(=O)c3ccc(c(OC)c3)O[C@@H]3O[C@H](COC2=O)[C@@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]1O,C28H32O16,pos_2_2sodium,624.169034944,CVLKSGMETVVYCI,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Clematis hexapetala,226633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis hexapetala'],8,0,8.0 77042,2980,544,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.4327575,ISDB,BJIOGJUNALELMI-ONEGZZNKSA-N,"InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3-7,11H,1-2H3/b4-3+",C/C=C/c1ccc(O)c(OC)c1,C10H12O2,,164.083729624,BJIOGJUNALELMI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cimicifuga simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],6,3,9.231029987335205 77043,2980,544,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.4327575,ISDB,BJIOGJUNALELMI-ONEGZZNKSA-N,"InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3-7,11H,1-2H3/b4-3+",C/C=C/c1ccc(O)c(OC)c1,C10H12O2,,164.083729624,BJIOGJUNALELMI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Actaea simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],6,3,9.231029987335205 77009,2974,-1,,,,0.58062315,ISDB,RPVXENZJFAXSJY-GOEBONIOSA-N,"InChI=1S/C16H24O/c1-15(2)7-4-8-16(3)10-11-5-6-13(17)12(11)9-14(15)16/h14H,4-10H2,1-3H3/t14-,16+/m0/s1",CC1(C)CCC[C@]2(C)CC3=C(C[C@@H]12)C(=O)CC3,C16H24O,,232.182715388,RPVXENZJFAXSJY,Terpenoids,Sesquiterpenoids,Drimane sesquiterpenoids,Wurfbainia villosa,477379.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Wurfbainia'],['Wurfbainia villosa'],4,0,6.322492599487305 77005,2973,-1,,,,0.0,MS1_match,BDLLSHRIFPDGQB-AATRIKPKSA-N,"InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h5-6H,2-4,7-17H2,1H3,(H,19,20)/b6-5+",CCCC/C=C/CCCCCCCCCCCC(=O)O,C18H34O2,pos_1_1sodium1acetonitrile,282.255880328,BDLLSHRIFPDGQB,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 76977,2971,119,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,CNVZJPUDSLNTQU-SEYXRHQNSA-N,"InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h12-13H,2-11,14-17H2,1H3,(H,19,20)/b13-12-",CCCCCCCCCCC/C=C\CCCCC(=O)O,C18H34O2,pos_1_1proton1acetonitrile,282.255880328,CNVZJPUDSLNTQU,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Delphinium staphisagria,969162.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Staphisagria'],['Staphisagria macrosperma'],6,3,7.5 76978,2971,119,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,CNVZJPUDSLNTQU-SEYXRHQNSA-N,"InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h12-13H,2-11,14-17H2,1H3,(H,19,20)/b13-12-",CCCCCCCCCCC/C=C\CCCCC(=O)O,C18H34O2,pos_1_1proton1acetonitrile,282.255880328,CNVZJPUDSLNTQU,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Staphisagria macrosperma,969162.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Staphisagria'],['Staphisagria macrosperma'],6,3,7.5 76979,2971,119,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,ZQPPMHVWECSIRJ-KTKRTIGZSA-N,"InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-",CCCCCCCC/C=C\CCCCCCCC(=O)O,C18H34O2,pos_1_1proton1acetonitrile,282.255880328,ZQPPMHVWECSIRJ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Celastrus paniculatus,561287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Celastrus'],['Celastrus paniculatus'],6,3,7.5 76980,2971,119,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,ZQPPMHVWECSIRJ-KTKRTIGZSA-N,"InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-",CCCCCCCC/C=C\CCCCCCCC(=O)O,C18H34O2,pos_1_1proton1acetonitrile,282.255880328,ZQPPMHVWECSIRJ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Ranunculus glacialis,225728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus glacialis'],6,3,7.5 76981,2971,119,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,ZQPPMHVWECSIRJ-MDZDMXLPSA-N,"InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9+",CCCCCCCC/C=C/CCCCCCCC(=O)O,C18H34O2,pos_1_1proton1acetonitrile,282.255880328,ZQPPMHVWECSIRJ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Delphinium consolida,756488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida ajacis'],6,3,7.5 76982,2971,119,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,ZQPPMHVWECSIRJ-MDZDMXLPSA-N,"InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9+",CCCCCCCC/C=C/CCCCCCCC(=O)O,C18H34O2,pos_1_1proton1acetonitrile,282.255880328,ZQPPMHVWECSIRJ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Consolida regalis,733334.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida regalis'],6,3,7.5 76983,2971,119,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,ZQPPMHVWECSIRJ-KTKRTIGZSA-N,"InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-",CCCCCCCC/C=C\CCCCCCCC(=O)O,C18H34O2,pos_1_1proton1acetonitrile,282.255880328,ZQPPMHVWECSIRJ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Aconitum japonicum,5511352.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum japonicum'],6,3,7.5 76984,2971,119,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,ZQPPMHVWECSIRJ-KTKRTIGZSA-N,"InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-",CCCCCCCC/C=C\CCCCCCCC(=O)O,C18H34O2,pos_1_1proton1acetonitrile,282.255880328,ZQPPMHVWECSIRJ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Delphinium staphisagria,969162.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Staphisagria'],['Staphisagria macrosperma'],6,3,7.5 76985,2971,119,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,ZQPPMHVWECSIRJ-KTKRTIGZSA-N,"InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-",CCCCCCCC/C=C\CCCCCCCC(=O)O,C18H34O2,pos_1_1proton1acetonitrile,282.255880328,ZQPPMHVWECSIRJ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Staphisagria macrosperma,969162.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Staphisagria'],['Staphisagria macrosperma'],6,3,7.5 76986,2971,119,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,ZQPPMHVWECSIRJ-KTKRTIGZSA-N,"InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-",CCCCCCCC/C=C\CCCCCCCC(=O)O,C18H34O2,pos_1_1proton1acetonitrile,282.255880328,ZQPPMHVWECSIRJ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Nigella sativa,142360.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Nigelleae'],['Nigella'],['Nigella sativa'],6,3,7.5 76990,2971,119,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,AQWHMKSIVLSRNY-BUHFOSPRSA-N,"InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h13-14H,2-12,15-17H2,1H3,(H,19,20)/b14-13+",CCCCCCCCCCCC/C=C/CCCC(=O)O,C18H34O2,pos_1_1proton1acetonitrile,282.255880328,AQWHMKSIVLSRNY,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Thalictrum simplex,243507.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum simplex'],6,3,7.5 76964,2970,119,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,ZQPPMHVWECSIRJ-KTKRTIGZSA-N,"InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-",CCCCCCCC/C=C\CCCCCCCC(=O)O,C18H34O2,pos_1_1proton1acetonitrile,282.255880328,ZQPPMHVWECSIRJ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Nigella sativa,142360.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Nigelleae'],['Nigella'],['Nigella sativa'],6,3,7.5 76965,2970,119,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,ZQPPMHVWECSIRJ-KTKRTIGZSA-N,"InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-",CCCCCCCC/C=C\CCCCCCCC(=O)O,C18H34O2,pos_1_1proton1acetonitrile,282.255880328,ZQPPMHVWECSIRJ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Staphisagria macrosperma,969162.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Staphisagria'],['Staphisagria macrosperma'],6,3,7.5 76966,2970,119,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,ZQPPMHVWECSIRJ-KTKRTIGZSA-N,"InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-",CCCCCCCC/C=C\CCCCCCCC(=O)O,C18H34O2,pos_1_1proton1acetonitrile,282.255880328,ZQPPMHVWECSIRJ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Delphinium staphisagria,969162.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Staphisagria'],['Staphisagria macrosperma'],6,3,7.5 76967,2970,119,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,ZQPPMHVWECSIRJ-KTKRTIGZSA-N,"InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-",CCCCCCCC/C=C\CCCCCCCC(=O)O,C18H34O2,pos_1_1proton1acetonitrile,282.255880328,ZQPPMHVWECSIRJ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Aconitum japonicum,5511352.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum japonicum'],6,3,7.5 76968,2970,119,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,ZQPPMHVWECSIRJ-MDZDMXLPSA-N,"InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9+",CCCCCCCC/C=C/CCCCCCCC(=O)O,C18H34O2,pos_1_1proton1acetonitrile,282.255880328,ZQPPMHVWECSIRJ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Consolida regalis,733334.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida regalis'],6,3,7.5 76969,2970,119,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,ZQPPMHVWECSIRJ-MDZDMXLPSA-N,"InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9+",CCCCCCCC/C=C/CCCCCCCC(=O)O,C18H34O2,pos_1_1proton1acetonitrile,282.255880328,ZQPPMHVWECSIRJ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Delphinium consolida,756488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida ajacis'],6,3,7.5 76970,2970,119,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,ZQPPMHVWECSIRJ-KTKRTIGZSA-N,"InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-",CCCCCCCC/C=C\CCCCCCCC(=O)O,C18H34O2,pos_1_1proton1acetonitrile,282.255880328,ZQPPMHVWECSIRJ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Ranunculus glacialis,225728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus glacialis'],6,3,7.5 76971,2970,119,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,ZQPPMHVWECSIRJ-KTKRTIGZSA-N,"InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-",CCCCCCCC/C=C\CCCCCCCC(=O)O,C18H34O2,pos_1_1proton1acetonitrile,282.255880328,ZQPPMHVWECSIRJ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Celastrus paniculatus,561287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Celastrus'],['Celastrus paniculatus'],6,3,7.5 76972,2970,119,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,CNVZJPUDSLNTQU-SEYXRHQNSA-N,"InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h12-13H,2-11,14-17H2,1H3,(H,19,20)/b13-12-",CCCCCCCCCCC/C=C\CCCCC(=O)O,C18H34O2,pos_1_1proton1acetonitrile,282.255880328,CNVZJPUDSLNTQU,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Staphisagria macrosperma,969162.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Staphisagria'],['Staphisagria macrosperma'],6,3,7.5 76973,2970,119,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,CNVZJPUDSLNTQU-SEYXRHQNSA-N,"InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h12-13H,2-11,14-17H2,1H3,(H,19,20)/b13-12-",CCCCCCCCCCC/C=C\CCCCC(=O)O,C18H34O2,pos_1_1proton1acetonitrile,282.255880328,CNVZJPUDSLNTQU,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Delphinium staphisagria,969162.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Staphisagria'],['Staphisagria macrosperma'],6,3,7.5 76975,2970,119,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,AQWHMKSIVLSRNY-BUHFOSPRSA-N,"InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h13-14H,2-12,15-17H2,1H3,(H,19,20)/b14-13+",CCCCCCCCCCCC/C=C/CCCC(=O)O,C18H34O2,pos_1_1proton1acetonitrile,282.255880328,AQWHMKSIVLSRNY,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Thalictrum simplex,243507.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum simplex'],6,3,7.5 76952,2968,538,Fatty acids,Fatty acyls,Hydrocarbons,0.24464607,ISDB,MKBFOWMTLICLPK-UHFFFAOYSA-N,"InChI=1S/C19H41AsO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)21/h4-19H2,1-3H3",CCCCCCCCCCCCCCCCC[As](C)(C)=O,C19H41AsO,,360.237337432,MKBFOWMTLICLPK,Fatty acids,Fatty acyls,Hydrocarbons,Lotus halophilus,998594.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus halophilus'],4,3,6.478584289550781 76866,2967,-1,,,,0.5494556,ISDB,KJSAXQYTHNRIBJ-YRGRVCCFSA-N,"InChI=1S/C14H20O2/c1-10(13(15)16)11-6-8-14(2)7-4-3-5-12(14)9-11/h3,5,11-12H,1,4,6-9H2,2H3,(H,15,16)/t11-,12-,14-/m1/s1",C=C(C(=O)O)[C@@H]1CC[C@@]2(C)CCC=C[C@@H]2C1,C14H20O2,,220.14632988,KJSAXQYTHNRIBJ,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Dittrichia graveolens,3899100.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Dittrichia'],['Dittrichia graveolens'],4,0,6.197822332382202 76865,2964,-1,,,,0.21683979,ISDB,ROIDNUNHRGMTMG-SAMRHTEJSA-N,"InChI=1S/C27H33NO5/c1-23(2,30)22-19(29)14-20-26(31)10-9-15-13-17-16-7-5-6-8-18(16)28-21(17)25(15,4)24(26,3)11-12-27(20,32)33-22/h5-8,14-15,22,28,30-32H,9-13H2,1-4H3/t15-,22-,24+,25+,26+,27-/m0/s1",CC(C)(O)[C@H]1O[C@@]2(O)CC[C@@]3(C)[C@@](O)(CC[C@H]4Cc5c([nH]c6ccccc56)[C@@]43C)C2=CC1=O,C27H33NO5,,451.235873156,ROIDNUNHRGMTMG,Alkaloids,Tryptophan alkaloids,Indole-Diterpenoid alkaloids (Penitrems),Penicillium paxilli,937350.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Penicillium'],['Penicillium paxilli'],1,0,1.8673591613769531 76470,2963,-1,,,,0.2972673,ISDB,SXCVPGXYCJAUPB-YLAKUSLOSA-N,"InChI=1S/C20H32O3/c1-13(2)15-7-8-20(6)11-16(9-14(3)17(20)10-15)23-18(21)12-19(4,5)22/h15-17,22H,1,3,7-12H2,2,4-6H3/t15-,16+,17+,20+/m1/s1",C=C(C)[C@@H]1CC[C@@]2(C)C[C@@H](OC(=O)CC(C)(C)O)CC(=C)[C@@H]2C1,C20H32O3,,320.235144884,SXCVPGXYCJAUPB,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Nardostachys jatamansi,24101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Nardostachys'],['Nardostachys jatamansi'],6,0,7.189069151878357 76293,2959,-1,,,,0.32523912,ISDB,PBWRFXQNNGSAQG-UHFFFAOYSA-N,"InChI=1S/C12H18O2/c1-7(2)12-5-10(12)8(3)11(6-12)14-9(4)13/h7,10-11H,3,5-6H2,1-2,4H3",C=C1C(OC(C)=O)CC2(C(C)C)CC12,C12H18O2,,194.130679816,PBWRFXQNNGSAQG,Terpenoids,Monoterpenoids,Thujane monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,7.30095648765564 76221,2956,242,Fatty acids,Sesquiterpenoids,Furans,0.45935962,ISDB,LFMQPNKZYKWPNB-YBVXQFKOSA-N,"InChI=1S/C19H28O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)16-17-19(21)22-2/h4-11H,3,12-17H2,1-2H3/b5-4?,7-6+,9-8+,11-10?",CCC=C/C=C/C=C/C=CCCCCC(=O)CCC(=O)OC,C19H28O3,,304.203844756,LFMQPNKZYKWPNB,Fatty acids,Octadecanoids,Other Octadecanoids,Chrysobalanus icaco,1083430.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Chrysobalanaceae'],['Unknown'],['Chrysobalanus'],['Chrysobalanus icaco'],4,1,6.337438464164734 76220,2955,228,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.22268179,ISDB,,,,,,,FMSCBQFTEBBTMH,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.890727162361145 76136,2953,1599,Terpenoids,Sesquiterpenoids,Jasmonic acids,0.2960968,ISDB,UASMTJSLCCDICT-UHFFFAOYSA-N,"InChI=1S/C13H18O2/c1-9-3-2-4-11(13(14)15)8-12-7-10(12)6-5-9/h3,8,10,12H,2,4-7H2,1H3,(H,14,15)",CC1=CCCC(C(=O)O)=CC2CC2CC1,C13H18O2,,206.130679816,UASMTJSLCCDICT,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,Valeriana dageletiana,7625130.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana dageletiana'],6,2,8.18438720703125 76137,2953,1599,Terpenoids,Sesquiterpenoids,Jasmonic acids,0.2960968,ISDB,UASMTJSLCCDICT-UHFFFAOYSA-N,"InChI=1S/C13H18O2/c1-9-3-2-4-11(13(14)15)8-12-7-10(12)6-5-9/h3,8,10,12H,2,4-7H2,1H3,(H,14,15)",CC1=CCCC(C(=O)O)=CC2CC2CC1,C13H18O2,,206.130679816,UASMTJSLCCDICT,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,2,8.18438720703125 75806,2950,623,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.71069974,ISDB,MNTSOBLYWJLVEK-UHFFFAOYSA-N,"InChI=1S/C30H18O10/c31-16-8-20(34)29-22(36)12-25(39-27(29)10-16)14-1-4-18(5-2-14)38-24-6-3-15(7-19(24)33)26-13-23(37)30-21(35)9-17(32)11-28(30)40-26/h1-13,31-35H",O=c1cc(-c2ccc(Oc3ccc(-c4cc(=O)c5c(O)cc(O)cc5o4)cc3O)cc2)oc2cc(O)cc(O)c12,C30H18O10,,538.089996776,MNTSOBLYWJLVEK,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,11.342798948287964 75750,2949,582,Terpenoids,Diterpenoids,Estrane steroids,0.5831185,ISDB,XMGQNBFCAUFSGC-RXHMHPOJSA-N,"InChI=1S/C19H30O3/c1-13(11-20)5-7-15-14(2)6-8-16-18(15,3)10-9-17(22)19(16,4)12-21/h5,11,15-17,21-22H,2,6-10,12H2,1,3-4H3/b13-5+/t15-,16+,17+,18+,19-/m0/s1",C=C1CC[C@H]2[C@](C)(CO)[C@H](O)CC[C@]2(C)[C@H]1C/C=C(\C)C=O,C19H30O3,,306.21949482,XMGQNBFCAUFSGC,Terpenoids,Diterpenoids,Labdane diterpenoids,Croton laui,3913830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Crotoneae'],['Croton'],['Croton laui'],4,2,7.332473993301392 75749,2944,-1,,,,0.28015697,ISDB,HCUIHIKPUYHKSQ-UHFFFAOYSA-N,"InChI=1S/C36H70O4/c1-3-5-7-9-10-11-12-13-14-15-16-17-22-25-29-33-36(39)40-34(30-26-8-6-4-2)31-27-23-20-18-19-21-24-28-32-35(37)38/h34H,3-33H2,1-2H3,(H,37,38)",CCCCCCCCCCCCCCCCCC(=O)OC(CCCCCC)CCCCCCCCCCC(=O)O,C36H70O4,,566.52741072,HCUIHIKPUYHKSQ,Fatty acids,Fatty esters,Fatty acid estolides,Bos taurus,490099.0,['Eukaryota'],['Metazoa'],['Chordata'],['Mammalia'],['Artiodactyla'],['Bovidae'],['Unknown'],['Bos'],['Bos taurus'],1,0,2.1206278800964355 74221,2943,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.5722537,ISDB,KIQXKOUFPHTUQS-MTXIQXFFSA-N,"InChI=1S/C15H24O/c1-10(9-16)8-13-6-4-11(2)14-7-5-12(3)15(13)14/h8,11,13-14,16H,4-7,9H2,1-3H3/b10-8+/t11-,13+,14-/m1/s1",CC1=C2[C@H](/C=C(\C)CO)CC[C@@H](C)[C@H]2CC1,C15H24O,,220.182715388,KIQXKOUFPHTUQS,Terpenoids,Sesquiterpenoids,Valerenane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,2,9.28901481628418 74215,2941,82,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.80350894,ISDB,UATOAILWGVYRQS-HHHXNRCGSA-N,"InChI=1S/C28H58NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28(31)34-25-27(30)26-36-37(32,33)35-24-23-29(2,3)4/h27,30H,5-26H2,1-4H3/t27-/m1/s1",CCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C,C28H58NO7P,,551.395089826,UATOAILWGVYRQS,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Aphis gossypii,1026471.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hemiptera'],['Aphididae'],['Aphidini'],['Aphis'],['Aphis gossypii'],1,3,5.714035749435425 74216,2941,82,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.80350894,ISDB,UATOAILWGVYRQS-HHHXNRCGSA-N,"InChI=1S/C28H58NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28(31)34-25-27(30)26-36-37(32,33)35-24-23-29(2,3)4/h27,30H,5-26H2,1-4H3/t27-/m1/s1",CCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C,C28H58NO7P,,551.395089826,UATOAILWGVYRQS,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Lysiphlebia japonica,697724.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hymenoptera'],['Braconidae'],['Unknown'],['Lysiphlebia'],['Lysiphlebia japonica'],1,3,5.714035749435425 74189,2937,-1,,,,0.0,MS1_match,OZBFUQLOVFXDNK-VWYCJHECSA-N,"InChI=1S/C12H18O2/c1-7-5-11(14-8(2)13)10-6-9(7)12(10,3)4/h5,9-11H,6H2,1-4H3/t9-,10+,11+/m1/s1",CC(=O)O[C@H]1C=C(C)[C@H]2C[C@@H]1C2(C)C,C12H18O2,pos_1_1proton1methanol,194.130679816,OZBFUQLOVFXDNK,Terpenoids,Monoterpenoids,Pinane monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 74190,2937,-1,,,,0.0,MS1_match,RWENJYLCELUBAE-UHFFFAOYSA-N,"InChI=1S/C12H18O2/c1-8(2)10-6-11(13-4)9(3)12(7-10)14-5/h6-8H,1-5H3",COc1cc(C(C)C)cc(OC)c1C,C12H18O2,pos_1_1proton1methanol,194.130679816,RWENJYLCELUBAE,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 74191,2937,-1,,,,0.0,MS1_match,ALVJDUNBMKMTDC-UHFFFAOYSA-N,"InChI=1S/C12H18O2/c1-12(2,3)10-8-9(13-4)6-7-11(10)14-5/h6-8H,1-5H3",COc1ccc(OC)c(C(C)(C)C)c1,C12H18O2,pos_1_1proton1methanol,194.130679816,ALVJDUNBMKMTDC,Shikimates and Phenylpropanoids,,,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 74192,2937,-1,,,,0.0,MS1_match,PBWRFXQNNGSAQG-UHFFFAOYSA-N,"InChI=1S/C12H18O2/c1-7(2)12-5-10(12)8(3)11(6-12)14-9(4)13/h7,10-11H,3,5-6H2,1-2,4H3",C=C1C(OC(C)=O)CC2(C(C)C)CC12,C12H18O2,pos_1_1proton1methanol,194.130679816,PBWRFXQNNGSAQG,Terpenoids,Monoterpenoids,Thujane monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 74193,2937,-1,,,,0.0,MS1_match,BKATZVAUANSCKN-QWRGUYRKSA-N,"InChI=1S/C12H18O2/c1-8(13)14-7-9-4-5-10-6-11(9)12(10,2)3/h4,10-11H,5-7H2,1-3H3/t10-,11-/m0/s1",CC(=O)OCC1=CC[C@H]2C[C@@H]1C2(C)C,C12H18O2,pos_1_1proton1methanol,194.130679816,BKATZVAUANSCKN,Terpenoids,Monoterpenoids,Pinane monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 74194,2937,-1,,,,0.0,MS1_match,GVZSSHYAFJPRJY-GARJFASQSA-N,"InChI=1S/C12H18O2/c1-7-10-5-9(12(7,3)4)6-11(10)14-8(2)13/h9-11H,1,5-6H2,2-4H3/t9-,10-,11+/m0/s1",C=C1[C@@H]2C[C@@H](C[C@H]2OC(C)=O)C1(C)C,C12H18O2,pos_1_1proton1methanol,194.130679816,GVZSSHYAFJPRJY,Terpenoids,Monoterpenoids,Camphane monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 74123,2936,582,Terpenoids,Diterpenoids,Estrane steroids,0.63191175,ISDB,NPAGDVCDWIYMMC-IZPLOLCNSA-N,"InChI=1S/C18H26O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,13-17,20H,2-9H2,1H3/t13-,14+,15+,16-,17-,18-/m0/s1",C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@H]43)[C@@H]1CC[C@@H]2O,C18H26O2,,274.193280072,NPAGDVCDWIYMMC,Terpenoids,Steroids,Estrane steroids,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],4,3,8.027647018432617 74117,2932,62,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.30942526,ISDB,IYGJNXKQEYRFJG-UHFFFAOYSA-N,"InChI=1S/C21H24O8/c1-26-18-10-13(4-7-15(18)22)5-9-20(25)29-12-17(24)21(28-3)14-6-8-16(23)19(11-14)27-2/h4-11,17,21-24H,12H2,1-3H3",COc1cc(C=CC(=O)OCC(O)C(OC)c2ccc(O)c(OC)c2)ccc1O,C21H24O8,,404.147117728,IYGJNXKQEYRFJG,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Angelica sinensis,182228.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Selineae'],['Angelica'],['Angelica sinensis'],4,0,5.237701058387756 74108,2930,-1,,,,0.0,MS1_match,MLIXRKUBDYCIFK-HQJQHLMTSA-N,"InChI=1S/C11H14O3/c1-7-4-3-5-8-10(13)14-9(12)6-11(7,8)2/h5,7H,3-4,6H2,1-2H3/t7-,11+/m1/s1",C[C@@H]1CCC=C2C(=O)OC(=O)C[C@]21C,C11H14O3,pos_2MHNH3,194.094294308,MLIXRKUBDYCIFK,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Nardostachys jatamansi,24101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Nardostachys'],['Nardostachys jatamansi'],6,0,6.0 74109,2930,-1,,,,0.0,MS1_match,UYGYXBOUYJLANA-CCXSFMJYSA-N,"InChI=1S/C11H14O3/c1-6-4-7(12)5-8-9(13)2-3-10(14)11(6)8/h2-3,5-7,10-12,14H,4H2,1H3/t6-,7-,10-,11+/m1/s1",C[C@@H]1C[C@@H](O)C=C2C(=O)C=C[C@@H](O)[C@H]21,C11H14O3,pos_2MHNH3,194.094294308,UYGYXBOUYJLANA,Terpenoids,,,Nardostachys jatamansi,24101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Nardostachys'],['Nardostachys jatamansi'],6,0,6.0 74110,2930,-1,,,,0.0,MS1_match,MWOMNLDJNQWJMK-UHFFFAOYSA-N,"InChI=1S/C10H14O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h4-5,7,11-12H,2-3,6H2,1H3",COc1cc(CCCO)ccc1O,C10H14O3,pos_2MHCH3CN,182.094294308,MWOMNLDJNQWJMK,,,,Aconitum baicalense,1014257.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum baicalense'],6,0,6.0 74111,2930,-1,,,,0.0,MS1_match,AALXOLVYFZPFPN-NSCUHMNNSA-N,"InChI=1S/C10H14O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-5,8,11-12H,6-7H2,1H3/b3-2+",COC1=C(O)C=CC(/C=C/CO)C1,C10H14O3,pos_2MHCH3CN,182.094294308,AALXOLVYFZPFPN,,,,Aconitum baicalense,1014257.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum baicalense'],6,0,6.0 74112,2930,-1,,,,0.0,MS1_match,ULRBKGCIGBUVLG-UHFFFAOYSA-N,"InChI=1S/C10H14O3/c1-5-6-3-8(11)10(2)7(6)4-12-9(5)13-10/h6-9,11H,1,3-4H2,2H3",C=C1C2OCC3C1CC(O)C3(C)O2,C10H14O3,pos_2MHCH3CN,182.094294308,ULRBKGCIGBUVLG,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,0,6.0 74113,2930,-1,,,,0.0,MS1_match,IBWYIXZIEIPGJL-UHFFFAOYSA-N,"InChI=1S/C10H14O3/c1-7-5-13-10(6-12)8(4-11)2-3-9(7)10/h2,9,11-12H,1,3-6H2",C=C1COC2(CO)C(CO)=CCC12,C10H14O3,pos_2MHCH3CN,182.094294308,IBWYIXZIEIPGJL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,0,6.0 74114,2930,-1,,,,0.0,MS1_match,XSZSWLQVSFTVBN-UHFFFAOYSA-N,"InChI=1S/C22H31NO6/c1-3-23-8-19-13-5-11-17(23)21(13,15(24)6-16(19)29-19)14-4-10-12(26-2)7-20(11)22(14,18(10)25)28-9-27-20/h10-18,24-25H,3-9H2,1-2H3",CCN1CC23OC2CC(O)C24C1C(CC32)C12CC(OC)C3CC4C1(OCO2)C3O,C22H31NO6,pos_1_1proton,405.215137712,XSZSWLQVSFTVBN,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum kirinense,5737821.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum kirinense'],6,0,6.0 74115,2930,-1,,,,0.0,MS1_match,ONKJDAKRKDXIDT-MSBYCJTASA-N,"InChI=1S/C22H31NO6/c1-19-5-4-14(27-3)22-11-6-10-12(26-2)7-20(15(11)16(10)24)21(8-13(19)22,29-9-28-20)17(22)23-18(19)25/h10-17,24H,4-9H2,1-3H3,(H,23,25)/t10?,11-,12?,13-,14+,15-,16+,17-,19-,20-,21?,22-/m1/s1",COC1C[C@]23OCOC24C[C@H]2[C@@]5([C@@H](OC)CC[C@@]2(C)C(=O)N[C@H]45)[C@@H]2CC1[C@H](O)[C@@H]23,C22H31NO6,pos_1_1proton,405.215137712,ONKJDAKRKDXIDT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium tongolense,176338.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium tongolense'],6,0,6.0 74116,2930,-1,,,,0.0,MS1_match,AQELCJOMPNYNFK-FRYAJNIMSA-N,"InChI=1S/C22H31NO6/c1-3-23-8-19-13-5-11-17(23)21(13,15(24)6-16(19)29-19)14-4-10-12(26-2)7-20(11,25)22(14)18(10)27-9-28-22/h10-18,24-25H,3-9H2,1-2H3/t10-,11+,12+,13-,14+,15+,16+,17-,18-,19-,20+,21+,22+/m1/s1",CCN1C[C@]23O[C@H]2C[C@H](O)[C@@]24[C@@H]3C[C@@H]([C@@H]12)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@]13OCO[C@H]23,C22H31NO6,pos_1_1proton,405.215137712,AQELCJOMPNYNFK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum kirinense,5737821.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum kirinense'],6,0,6.0 74105,2929,522,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.95393395,ISDB,NAEGEZSNSCUUHE-TYCAOWMRSA-N,"InChI=1S/C15H16O10/c16-4-7-10(19)11(20)13(22)15(24-7)23-6-3-5-1-2-8(17)25-14(5)12(21)9(6)18/h1-3,7,10-11,13,15-16,18-22H,4H2/t7-,10-,11+,13-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c(O)c2o1,C15H16O10,,356.074346712,NAEGEZSNSCUUHE,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Morus alba,658488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Morus'],['Morus alba'],4,3,9.315735816955566 74102,2928,86,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.5535115,ISDB,KXJAPGVKHIYNOZ-HCLJLRJYSA-N,"InChI=1S/C27H40O12/c1-6-27(4,34)9-7-8-13(2)23(32)36-12-18-20(29)21(30)22(31)26(38-18)39-25-19-14(3)17(28)10-15(19)16(11-37-25)24(33)35-5/h6,8,11,14-15,17-22,25-26,28-31,34H,1,7,9-10,12H2,2-5H3/b13-8+/t14-,15+,17-,18+,19+,20+,21-,22+,25-,26-,27?/m0/s1",C=CC(C)(O)CC/C=C(\C)C(=O)OC[C@H]1O[C@@H](O[C@@H]2OC=C(C(=O)OC)[C@H]3C[C@H](O)[C@H](C)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C27H40O12,,556.25197672,KXJAPGVKHIYNOZ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Jasminum nervosum,1070447.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Oleaceae'],['Jasmineae'],['Jasminum'],['Jasminum nervosum'],4,2,7.214046001434326 74094,2927,-1,,,,0.6753685,ISDB,LLNNPDWCMNJBKW-UHFFFAOYSA-N,"InChI=1S/C24H27NO2/c1-13(2)15-9-10-24(4)12-18(15)20-22-17(11-14(3)23(20)27-24)16-7-6-8-19(26-5)21(16)25-22/h6-8,11,15,18,25H,1,9-10,12H2,2-5H3",C=C(C)C1CCC2(C)CC1c1c(c(C)cc3c1[nH]c1c(OC)cccc13)O2,C24H27NO2,,361.204179104,LLNNPDWCMNJBKW,Alkaloids,Tryptophan alkaloids,Carbazole alkaloids,Murraya euchrestifolia,5233070.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Murraya'],['Murraya euchrestifolia'],4,0,6.701473951339722 74043,2925,49,Terpenoids,Octadecanoids,Other Octadecanoids,0.5330327,ISDB,RKSYUYCKHRVFNL-UHFFFAOYSA-N,"InChI=1S/C18H30O4/c1-2-17(22-21)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20/h3,5,9,11,13,15,17,21H,2,4,6-8,10,12,14,16H2,1H3,(H,19,20)",CCC(C=CC=CCC=CCCCCCCCC(=O)O)OO,C18H30O4,,310.21440943999994,RKSYUYCKHRVFNL,Fatty acids,Octadecanoids,Other Octadecanoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],4,3,7.632130861282349 73971,2924,29,Terpenoids,Triterpenoids,"Carotenoids (C40, Ψ-Ψ)",0.33729574,ISDB,OVSVTCFNLSGAMM-UZFNGAIXSA-N,"InChI=1S/C40H62/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15,19-22,25,27-30H,13-14,16-18,23-24,26,31-32H2,1-10H3/b12-11?,25-15+,35-21+,36-22?,37-27?,38-28?,39-29?,40-30?",CC(C)=CCCC(C)=CCCC(C)=C/C=C/C(C)=C/C=CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C,C40H62,,542.485151984,OVSVTCFNLSGAMM,Terpenoids,Carotenoids (C40),"Carotenoids (C40, Ψ-Ψ)",Celastrus orbiculatus,56757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Celastrus'],['Celastrus orbiculatus'],6,3,8.849182963371277 73109,2922,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.73632973,ISDB,RJZWGDPBGWGJNU-MTXIQXFFSA-N,"InChI=1S/C15H22O/c1-10(9-16)8-13-6-4-11(2)14-7-5-12(3)15(13)14/h8-9,11,13-14H,4-7H2,1-3H3/b10-8+/t11-,13+,14-/m1/s1",CC1=C2[C@H](/C=C(\C)C=O)CC[C@@H](C)[C@H]2CC1,C15H22O,,218.167065324,RJZWGDPBGWGJNU,Terpenoids,Sesquiterpenoids,Valerenane sesquiterpenoids,Nardostachys jatamansi,24101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Nardostachys'],['Nardostachys jatamansi'],6,2,9.945318937301636 73110,2922,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.73632973,ISDB,RJZWGDPBGWGJNU-MTXIQXFFSA-N,"InChI=1S/C15H22O/c1-10(9-16)8-13-6-4-11(2)14-7-5-12(3)15(13)14/h8-9,11,13-14H,4-7H2,1-3H3/b10-8+/t11-,13+,14-/m1/s1",CC1=C2[C@H](/C=C(\C)C=O)CC[C@@H](C)[C@H]2CC1,C15H22O,,218.167065324,RJZWGDPBGWGJNU,Terpenoids,Sesquiterpenoids,Valerenane sesquiterpenoids,Valeriana wolgensis,5746446.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana wolgensis'],6,2,9.945318937301636 73111,2922,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.73632973,ISDB,RJZWGDPBGWGJNU-MTXIQXFFSA-N,"InChI=1S/C15H22O/c1-10(9-16)8-13-6-4-11(2)14-7-5-12(3)15(13)14/h8-9,11,13-14H,4-7H2,1-3H3/b10-8+/t11-,13+,14-/m1/s1",CC1=C2[C@H](/C=C(\C)C=O)CC[C@@H](C)[C@H]2CC1,C15H22O,,218.167065324,RJZWGDPBGWGJNU,Terpenoids,Sesquiterpenoids,Valerenane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,2,9.945318937301636 73082,2921,1473,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NGSWKAQJJWESNS-UHFFFAOYSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)",O=C(O)C=Cc1ccc(O)cc1,C9H8O3,pos_1_1proton2acetonitrile,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis delavayi,72769.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis delavayi'],8,3,9.5 73061,2920,1101,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,YTZSBJLNMIQROD-RZYLQQLPSA-N,"InChI=1S/C17H26O11/c1-6-11-7(3-10(19)26-6)8(15(23)24-2)5-25-16(11)28-17-14(22)13(21)12(20)9(4-18)27-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6?,7-,9?,10?,11-,12?,13?,14?,16?,17?/m1/s1",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)[C@@H]2C(C)OC(O)C[C@H]12,C17H26O11,pos_1_1potassium,406.147511652,YTZSBJLNMIQROD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera alpigena,920868.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera alpigena'],8,3,9.5 73062,2920,1101,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,YTZSBJLNMIQROD-RZYLQQLPSA-N,"InChI=1S/C17H26O11/c1-6-11-7(3-10(19)26-6)8(15(23)24-2)5-25-16(11)28-17-14(22)13(21)12(20)9(4-18)27-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6?,7-,9?,10?,11-,12?,13?,14?,16?,17?/m1/s1",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)[C@@H]2C(C)OC(O)C[C@H]12,C17H26O11,pos_1_1potassium,406.147511652,YTZSBJLNMIQROD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera alpigena,920868.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera alpigena'],8,3,9.5 73063,2920,1101,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,YTZSBJLNMIQROD-RZYLQQLPSA-N,"InChI=1S/C17H26O11/c1-6-11-7(3-10(19)26-6)8(15(23)24-2)5-25-16(11)28-17-14(22)13(21)12(20)9(4-18)27-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6?,7-,9?,10?,11-,12?,13?,14?,16?,17?/m1/s1",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)[C@@H]2C(C)OC(O)C[C@H]12,C17H26O11,pos_1_1potassium,406.147511652,YTZSBJLNMIQROD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera alpigena,920868.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera alpigena'],8,3,9.5 73058,2916,855,Shikimates and Phenylpropanoids,Tryptophan alkaloids,Flavanones,0.21104561,ISDB,NWOAUZRIIYJJIS-AVQBUJNVSA-N,"InChI=1S/C30H34O6/c1-17(2)7-6-8-18(3)9-10-20-19(11-12-22(31)28(20)33)24-15-23(32)27-26(35-24)16-25-21(29(27)34)13-14-30(4,5)36-25/h7,9,11-14,16,24,31,33-34H,6,8,10,15H2,1-5H3/b18-9+/t24-/m0/s1",CC(C)=CCC/C(C)=C/Cc1c([C@@H]2CC(=O)c3c(cc4c(c3O)C=CC(C)(C)O4)O2)ccc(O)c1O,C30H34O6,,490.2355388079999,NWOAUZRIIYJJIS,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Macaranga tanarius,573156.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Macaranga'],['Macaranga tanarius'],4,3,6.3441824316978455 73055,2914,65,Alkaloids,Lysine alkaloids,N-acyl amines,0.2508231,ISDB,CCWBQLZOTVKFAJ-USNSYDTGSA-N,"InChI=1S/C17H29NO3/c1-13(8-4-3-7-11-19)12-14-16(20)17(2,21)15-9-5-6-10-18(14)15/h3-4,8,14-16,19-21H,5-7,9-12H2,1-2H3/b4-3+,13-8+/t14-,15+,16-,17-/m0/s1",C/C(=C\C=C\CCO)C[C@H]1[C@H](O)[C@@](C)(O)[C@H]2CCCCN12,C17H29NO3,,295.214743788,CCWBQLZOTVKFAJ,Alkaloids,Lysine alkaloids,Indolizidine alkaloids,Streptomyces,772892.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Unknown'],0,2,2.003292441368103 73056,2914,65,Alkaloids,Lysine alkaloids,N-acyl amines,0.2508231,ISDB,CCWBQLZOTVKFAJ-UHFFFAOYSA-N,"InChI=1S/C17H29NO3/c1-13(8-4-3-7-11-19)12-14-16(20)17(2,21)15-9-5-6-10-18(14)15/h3-4,8,14-16,19-21H,5-7,9-12H2,1-2H3",CC(=CC=CCCO)CC1C(O)C(C)(O)C2CCCCN12,C17H29NO3,,295.214743788,CCWBQLZOTVKFAJ,Alkaloids,Lysine alkaloids,Indolizidine alkaloids,Streptomyces albidoflavus,772836.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Streptomyces albidoflavus'],0,2,2.003292441368103 72867,2913,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.6104835,ISDB,CUUMXRBKJIDIAY-ZDUSSCGKSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5-7,9-10,13H,8H2,1-4H3/t13-/m0/s1",CC1=CC[C@@H](C(C)C)c2cc(C)ccc21,C15H20,,200.15650064,CUUMXRBKJIDIAY,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,3,9.94193410873413 72854,2912,-1,,,,0.0,MS1_match,JZJSMQHXFBDMBB-RTQWZQBFSA-N,"InChI=1S/C42H68O14/c1-37(2)13-15-42(36(52)56-35-33(51)31(49)29(47)24(55-35)19-53-34-32(50)30(48)28(46)23(18-43)54-34)16-14-40(5)21(22(42)17-37)7-8-26-38(3)11-10-27(45)39(4,20-44)25(38)9-12-41(26,40)6/h7,22-35,43-51H,8-20H2,1-6H3/t22-,23+,24+,25+,26+,27-,28+,29+,30-,31-,32+,33+,34+,35-,38-,39-,40+,41+,42-/m0/s1",CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C42H68O14,pos_2_2proton,796.4609068560001,JZJSMQHXFBDMBB,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lonicera macrantha,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 72855,2912,-1,,,,0.0,MS1_match,JZJSMQHXFBDMBB-RTQWZQBFSA-N,"InChI=1S/C42H68O14/c1-37(2)13-15-42(36(52)56-35-33(51)31(49)29(47)24(55-35)19-53-34-32(50)30(48)28(46)23(18-43)54-34)16-14-40(5)21(22(42)17-37)7-8-26-38(3)11-10-27(45)39(4,20-44)25(38)9-12-41(26,40)6/h7,22-35,43-51H,8-20H2,1-6H3/t22-,23+,24+,25+,26+,27-,28+,29+,30-,31-,32+,33+,34+,35-,38-,39-,40+,41+,42-/m0/s1",CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C42H68O14,pos_2_2proton,796.4609068560001,JZJSMQHXFBDMBB,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lonicera macrantha,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 72856,2912,-1,,,,0.0,MS1_match,WCMJLEULXWUCRF-DYSZAQIFSA-N,"InChI=1S/C42H68O14/c1-37(2)13-15-42(36(51)52)16-14-40(5)21(22(42)17-37)7-8-26-38(3)11-10-27(39(4,20-45)25(38)9-12-41(26,40)6)55-35-33(31(49)29(47)24(19-44)54-35)56-34-32(50)30(48)28(46)23(18-43)53-34/h7,22-35,43-50H,8-20H2,1-6H3,(H,51,52)/t22-,23+,24+,25+,26+,27-,28-,29+,30-,31-,32+,33+,34-,35-,38-,39-,40+,41+,42-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C42H68O14,pos_2_2proton,796.460906856,WCMJLEULXWUCRF,Terpenoids,Triterpenoids,Oleanane triterpenoids,Anemone patens var. multifida,5264024.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Anemone'],['Anemone patens'],7,0,7.0 72857,2912,-1,,,,0.0,MS1_match,WCMJLEULXWUCRF-DYSZAQIFSA-N,"InChI=1S/C42H68O14/c1-37(2)13-15-42(36(51)52)16-14-40(5)21(22(42)17-37)7-8-26-38(3)11-10-27(39(4,20-45)25(38)9-12-41(26,40)6)55-35-33(31(49)29(47)24(19-44)54-35)56-34-32(50)30(48)28(46)23(18-43)53-34/h7,22-35,43-50H,8-20H2,1-6H3,(H,51,52)/t22-,23+,24+,25+,26+,27-,28-,29+,30-,31-,32+,33+,34-,35-,38-,39-,40+,41+,42-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C42H68O14,pos_2_2proton,796.460906856,WCMJLEULXWUCRF,Terpenoids,Triterpenoids,Oleanane triterpenoids,Anemone patens var. multifida,5264024.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Anemone'],['Anemone patens'],7,0,7.0 72858,2912,-1,,,,0.0,MS1_match,YEBCEGBBUMGPQI-OLTREEDVSA-N,"InChI=1S/C42H68O14/c1-37(2)13-15-42(36(52)56-35-33(51)31(49)29(47)24(19-44)54-35)16-14-40(5)21(22(42)17-37)7-8-26-38(3)11-10-27(39(4,20-45)25(38)9-12-41(26,40)6)55-34-32(50)30(48)28(46)23(18-43)53-34/h7,22-35,43-51H,8-20H2,1-6H3/t22-,23+,24+,25+,26+,27-,28+,29+,30-,31-,32+,33+,34-,35-,38-,39-,40+,41+,42-/m0/s1",CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C42H68O14,pos_2_2proton,796.4609068560001,YEBCEGBBUMGPQI,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lonicera bournei,5746380.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera bournei'],7,0,7.0 72859,2912,-1,,,,0.0,MS1_match,YEBCEGBBUMGPQI-OLTREEDVSA-N,"InChI=1S/C42H68O14/c1-37(2)13-15-42(36(52)56-35-33(51)31(49)29(47)24(19-44)54-35)16-14-40(5)21(22(42)17-37)7-8-26-38(3)11-10-27(39(4,20-45)25(38)9-12-41(26,40)6)55-34-32(50)30(48)28(46)23(18-43)53-34/h7,22-35,43-51H,8-20H2,1-6H3/t22-,23+,24+,25+,26+,27-,28+,29+,30-,31-,32+,33+,34-,35-,38-,39-,40+,41+,42-/m0/s1",CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C42H68O14,pos_2_2proton,796.4609068560001,YEBCEGBBUMGPQI,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lonicera bournei,5746380.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera bournei'],7,0,7.0 72860,2912,-1,,,,0.0,MS1_match,ORESVIJUAVPRJL-XUJNLDPJSA-N,"InChI=1S/C42H68O14/c1-20(2)21-9-14-42(37(52)56-36-34(51)32(49)30(47)24(18-44)54-36)16-15-40(5)22(28(21)42)7-8-26-38(3)12-11-27(39(4,19-45)25(38)10-13-41(26,40)6)55-35-33(50)31(48)29(46)23(17-43)53-35/h21-36,43-51H,1,7-19H2,2-6H3/t21-,22+,23+,24+,25+,26+,27-,28+,29+,30+,31-,32-,33+,34+,35-,36-,38-,39-,40+,41+,42-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]12,C42H68O14,pos_2_2proton,796.460906856,ORESVIJUAVPRJL,Terpenoids,Triterpenoids,Lupane triterpenoids,Lonicera bournei,5746380.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera bournei'],7,0,7.0 72861,2912,-1,,,,0.0,MS1_match,PVVJZDLOKFUBNE-UGUOGOKGSA-N,"InChI=1S/C42H68O14/c1-20(2)21-9-14-42(37(52)56-36-34(51)32(49)30(47)24(55-36)18-53-35-33(50)31(48)29(46)23(17-43)54-35)16-15-40(5)22(28(21)42)7-8-26-38(3)12-11-27(45)39(4,19-44)25(38)10-13-41(26,40)6/h21-36,43-51H,1,7-19H2,2-6H3/t21-,22+,23+,24+,25+,26+,27-,28+,29+,30+,31-,32-,33+,34+,35+,36-,38-,39-,40+,41+,42-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]12,C42H68O14,pos_2_2proton,796.4609068560001,PVVJZDLOKFUBNE,Terpenoids,Triterpenoids,Lupane triterpenoids,Pulsatilla chinensis,34150.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Pulsatilla'],['Pulsatilla chinensis'],7,0,7.0 72862,2912,-1,,,,0.0,MS1_match,JZFXHKGLHKHXPY-OBHNSGKSSA-N,"InChI=1S/C42H68O14/c1-37(2)13-15-42(36(51)52)16-14-40(5)21(22(42)17-37)7-8-26-38(3)11-10-27(45)39(4,25(38)9-12-41(26,40)6)20-53-35-33(31(49)29(47)24(19-44)55-35)56-34-32(50)30(48)28(46)23(18-43)54-34/h7,22-35,43-50H,8-20H2,1-6H3,(H,51,52)/t22-,23+,24+,25+,26+,27-,28+,29+,30-,31-,32+,33+,34-,35+,38-,39-,40+,41+,42-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@H]5CC[C@]43C)[C@@H]2C1,C42H68O14,pos_2_2proton,796.460906856,JZFXHKGLHKHXPY,Terpenoids,Triterpenoids,Oleanane triterpenoids,Anemonastrum flaccidum,750046.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Anemone'],['Anemone flaccida'],7,0,7.0 72853,2906,-1,,,,0.0,MS1_match,ASKNNOPNSQXQPY-XIBVQPFYSA-N,"InChI=1S/C28H30O16/c1-10(29)41-25-15(33)8-39-27(23(25)38)40-9-17-19(34)21(36)22(37)28(43-17)44-26-20(35)18-14(32)6-13(31)7-16(18)42-24(26)11-2-4-12(30)5-3-11/h2-7,15,17,19,21-23,25,27-28,30-34,36-38H,8-9H2,1H3/t15-,17+,19+,21-,22+,23-,25-,27-,28-/m0/s1",CC(=O)O[C@@H]1[C@H](O)[C@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)OC[C@@H]1O,C28H30O16,pos_1_1proton2acetonitrile,622.15338488,ASKNNOPNSQXQPY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Thalictrum atriplex,871204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum atriplex'],6,0,6.0 72852,2903,25,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.31171015,ISDB,KYUNATJAFQPBJE-BXUZGUMPSA-N,"InChI=1S/C14H14O6/c1-14(11-2-3-12(18)19-11)6-9(17)13-8(16)4-7(15)5-10(13)20-14/h4-5,11,15-16H,2-3,6H2,1H3/t11-,14-/m1/s1",C[C@]1([C@H]2CCC(=O)O2)CC(=O)c2c(O)cc(O)cc2O1,C14H14O6,,278.079038168,KYUNATJAFQPBJE,Polyketides,Chromanes,Chromones,Microdiplodia,751960.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Dothideomycetes'],['Botryosphaeriales'],['Botryosphaeriaceae'],['Unknown'],['Microdiplodia'],['Unknown'],1,0,2.2468405961990356 72851,2897,1473,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MZKARNAOCAPDSD-HSZUAVIASA-N,"InChI=1S/C15H18O3/c1-4-12(2)15(16)18-11-5-6-13-7-9-14(17-3)10-8-13/h4-10H,11H2,1-3H3/b6-5+,12-4-",C/C=C(/C)C(=O)OC/C=C/c1ccc(OC)cc1,C15H18O3,pos_1_1proton,246.125594436,MZKARNAOCAPDSD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Morina chinensis,68249.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Morina'],['Morina chinensis'],6,3,7.5 72822,2896,80,Terpenoids,Tryptophan alkaloids,Carbazole alkaloids,0.23614568,ISDB,FDHFJXKRMIVNCQ-CQBRDPJOSA-N,"InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,58,61H,1,14-25,27H2,2-12H3/b34-26+,44-28?,46-29?,47-30?,52-50?/t32-,33-,37-,41-,51+/m0/s1",C=CC1=C(C)C2=NC1=CC1=NC(=CC3=C(C)C4=C(O)[C@H](C(=O)OC)C(=C5NC(=C2)[C@@H](C)[C@@H]5CCC(=O)OC/C=C(\C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)C4=N3)C(CC)=C1C,C55H74N4O5,,870.565921468,FDHFJXKRMIVNCQ,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Aristolochia mollissima,656355.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Aristolochiaceae'],['Unknown'],['Aristolochia'],['Aristolochia mollissima'],4,1,5.44458270072937 72823,2896,80,Terpenoids,Tryptophan alkaloids,Carbazole alkaloids,0.23614568,ISDB,FDHFJXKRMIVNCQ-CQBRDPJOSA-N,"InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,58,61H,1,14-25,27H2,2-12H3/b34-26+,44-28?,46-29?,47-30?,52-50?/t32-,33-,37-,41-,51+/m0/s1",C=CC1=C(C)C2=NC1=CC1=NC(=CC3=C(C)C4=C(O)[C@H](C(=O)OC)C(=C5NC(=C2)[C@@H](C)[C@@H]5CCC(=O)OC/C=C(\C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)C4=N3)C(CC)=C1C,C55H74N4O5,,870.565921468,FDHFJXKRMIVNCQ,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Camellia sinensis,1058509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Theaceae'],['Unknown'],['Camellia'],['Camellia sinensis'],4,1,5.44458270072937 72824,2896,80,Terpenoids,Tryptophan alkaloids,Carbazole alkaloids,0.23614568,ISDB,FDHFJXKRMIVNCQ-CQBRDPJOSA-N,"InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,58,61H,1,14-25,27H2,2-12H3/b34-26+,44-28?,46-29?,47-30?,52-50?/t32-,33-,37-,41-,51+/m0/s1",C=CC1=C(C)C2=NC1=CC1=NC(=CC3=C(C)C4=C(O)[C@H](C(=O)OC)C(=C5NC(=C2)[C@@H](C)[C@@H]5CCC(=O)OC/C=C(\C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)C4=N3)C(CC)=C1C,C55H74N4O5,,870.565921468,FDHFJXKRMIVNCQ,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Platostoma palustre,285422.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Ocimeae'],['Platostoma'],['Platostoma chinense'],4,1,5.44458270072937 72825,2896,80,Terpenoids,Tryptophan alkaloids,Carbazole alkaloids,0.23614568,ISDB,FDHFJXKRMIVNCQ-CQBRDPJOSA-N,"InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,58,61H,1,14-25,27H2,2-12H3/b34-26+,44-28?,46-29?,47-30?,52-50?/t32-,33-,37-,41-,51+/m0/s1",C=CC1=C(C)C2=NC1=CC1=NC(=CC3=C(C)C4=C(O)[C@H](C(=O)OC)C(=C5NC(=C2)[C@@H](C)[C@@H]5CCC(=O)OC/C=C(\C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)C4=N3)C(CC)=C1C,C55H74N4O5,,870.565921468,FDHFJXKRMIVNCQ,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Spinacia oleracea,317784.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Chenopodiaceae'],['Anserineae'],['Spinacia'],['Spinacia oleracea'],4,1,5.44458270072937 72826,2896,80,Terpenoids,Tryptophan alkaloids,Carbazole alkaloids,0.23614568,ISDB,FDHFJXKRMIVNCQ-RRNMINROSA-N,"InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,58,61H,1,14-25,27H2,2-12H3/b34-26+,44-28?,46-29?,47-30?,52-50?",C=CC1=C(C)C2=NC1=CC1=NC(=CC3=C(C)C4=C(O)C(C(=O)OC)C(=C5NC(=C2)C(C)C5CCC(=O)OC/C=C(\C)CCCC(C)CCCC(C)CCCC(C)C)C4=N3)C(CC)=C1C,C55H74N4O5,,870.565921468,FDHFJXKRMIVNCQ,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Olea europaea,23729.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Oleaceae'],['Oleeae'],['Olea'],['Olea europaea'],4,1,5.44458270072937 72827,2896,80,Terpenoids,Tryptophan alkaloids,Carbazole alkaloids,0.23614568,ISDB,FDHFJXKRMIVNCQ-CQBRDPJOSA-N,"InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,58,61H,1,14-25,27H2,2-12H3/b34-26+,44-28?,46-29?,47-30?,52-50?/t32-,33-,37-,41-,51+/m0/s1",C=CC1=C(C)C2=NC1=CC1=NC(=CC3=C(C)C4=C(O)[C@H](C(=O)OC)C(=C5NC(=C2)[C@@H](C)[C@@H]5CCC(=O)OC/C=C(\C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)C4=N3)C(CC)=C1C,C55H74N4O5,,870.565921468,FDHFJXKRMIVNCQ,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Brassica oleracea,833642.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica oleracea'],4,1,5.44458270072937 72828,2896,80,Terpenoids,Tryptophan alkaloids,Carbazole alkaloids,0.23614568,ISDB,FDHFJXKRMIVNCQ-CQBRDPJOSA-N,"InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,58,61H,1,14-25,27H2,2-12H3/b34-26+,44-28?,46-29?,47-30?,52-50?/t32-,33-,37-,41-,51+/m0/s1",C=CC1=C(C)C2=NC1=CC1=NC(=CC3=C(C)C4=C(O)[C@H](C(=O)OC)C(=C5NC(=C2)[C@@H](C)[C@@H]5CCC(=O)OC/C=C(\C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)C4=N3)C(CC)=C1C,C55H74N4O5,,870.565921468,FDHFJXKRMIVNCQ,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Euchresta formosana,280933.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Euchresta'],['Euchresta formosana'],4,1,5.44458270072937 72829,2896,80,Terpenoids,Tryptophan alkaloids,Carbazole alkaloids,0.23614568,ISDB,FDHFJXKRMIVNCQ-RRNMINROSA-N,"InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,58,61H,1,14-25,27H2,2-12H3/b34-26+,44-28?,46-29?,47-30?,52-50?",C=CC1=C(C)C2=NC1=CC1=NC(=CC3=C(C)C4=C(O)C(C(=O)OC)C(=C5NC(=C2)C(C)C5CCC(=O)OC/C=C(\C)CCCC(C)CCCC(C)CCCC(C)C)C4=N3)C(CC)=C1C,C55H74N4O5,,870.565921468,FDHFJXKRMIVNCQ,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Tapura fischeri,204812.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Dichapetalaceae'],['Unknown'],['Tapura'],['Tapura fischeri'],4,1,5.44458270072937 72830,2896,80,Terpenoids,Tryptophan alkaloids,Carbazole alkaloids,0.23614568,ISDB,FDHFJXKRMIVNCQ-CQBRDPJOSA-N,"InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,58,61H,1,14-25,27H2,2-12H3/b34-26+,44-28?,46-29?,47-30?,52-50?/t32-,33-,37-,41-,51+/m0/s1",C=CC1=C(C)C2=NC1=CC1=NC(=CC3=C(C)C4=C(O)[C@H](C(=O)OC)C(=C5NC(=C2)[C@@H](C)[C@@H]5CCC(=O)OC/C=C(\C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)C4=N3)C(CC)=C1C,C55H74N4O5,,870.565921468,FDHFJXKRMIVNCQ,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Saussurea medusa,474462.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea medusa'],4,1,5.44458270072937 72831,2896,80,Terpenoids,Tryptophan alkaloids,Carbazole alkaloids,0.23614568,ISDB,FDHFJXKRMIVNCQ-OSIZZBRKSA-N,"InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,58,61H,1,14-25,27H2,2-12H3/b34-26+,44-28?,46-29?,47-30?,52-50?/t32-,33-,37+,41+,51-/m1/s1",C=CC1=C(C)C2=NC1=CC1=NC(=CC3=C(C)C4=C(O)[C@H](C(=O)OC)C(=C5NC(=C2)[C@@H](C)[C@@H]5CCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C4=N3)C(CC)=C1C,C55H74N4O5,,870.565921468,FDHFJXKRMIVNCQ,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Alloberberis fremontii,725518.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Berberidaceae'],['Unknown'],['Berberis'],['Berberis fremontii'],4,1,5.44458270072937 72832,2896,80,Terpenoids,Tryptophan alkaloids,Carbazole alkaloids,0.23614568,ISDB,FDHFJXKRMIVNCQ-RRNMINROSA-N,"InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,58,61H,1,14-25,27H2,2-12H3/b34-26+,44-28?,46-29?,47-30?,52-50?",C=CC1=C(C)C2=NC1=CC1=NC(=CC3=C(C)C4=C(O)C(C(=O)OC)C(=C5NC(=C2)C(C)C5CCC(=O)OC/C=C(\C)CCCC(C)CCCC(C)CCCC(C)C)C4=N3)C(CC)=C1C,C55H74N4O5,,870.565921468,FDHFJXKRMIVNCQ,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Ophiorrhiza pumila,608350.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Ophiorrhizeae'],['Ophiorrhiza'],['Ophiorrhiza pumila'],4,1,5.44458270072937 72833,2896,80,Terpenoids,Tryptophan alkaloids,Carbazole alkaloids,0.23614568,ISDB,FDHFJXKRMIVNCQ-CQBRDPJOSA-N,"InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,58,61H,1,14-25,27H2,2-12H3/b34-26+,44-28?,46-29?,47-30?,52-50?/t32-,33-,37-,41-,51+/m0/s1",C=CC1=C(C)C2=NC1=CC1=NC(=CC3=C(C)C4=C(O)[C@H](C(=O)OC)C(=C5NC(=C2)[C@@H](C)[C@@H]5CCC(=O)OC/C=C(\C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)C4=N3)C(CC)=C1C,C55H74N4O5,,870.565921468,FDHFJXKRMIVNCQ,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Berberis trifoliata,5503578.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Berberidaceae'],['Unknown'],['Berberis'],['Berberis trifolia'],4,1,5.44458270072937 72834,2896,80,Terpenoids,Tryptophan alkaloids,Carbazole alkaloids,0.23614568,ISDB,FDHFJXKRMIVNCQ-CQBRDPJOSA-N,"InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,58,61H,1,14-25,27H2,2-12H3/b34-26+,44-28?,46-29?,47-30?,52-50?/t32-,33-,37-,41-,51+/m0/s1",C=CC1=C(C)C2=NC1=CC1=NC(=CC3=C(C)C4=C(O)[C@H](C(=O)OC)C(=C5NC(=C2)[C@@H](C)[C@@H]5CCC(=O)OC/C=C(\C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)C4=N3)C(CC)=C1C,C55H74N4O5,,870.565921468,FDHFJXKRMIVNCQ,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Berberis trifoliolata,840498.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Berberidaceae'],['Unknown'],['Berberis'],['Berberis trifoliolata'],4,1,5.44458270072937 72835,2896,80,Terpenoids,Tryptophan alkaloids,Carbazole alkaloids,0.23614568,ISDB,FDHFJXKRMIVNCQ-CQBRDPJOSA-N,"InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,58,61H,1,14-25,27H2,2-12H3/b34-26+,44-28?,46-29?,47-30?,52-50?/t32-,33-,37-,41-,51+/m0/s1",C=CC1=C(C)C2=NC1=CC1=NC(=CC3=C(C)C4=C(O)[C@H](C(=O)OC)C(=C5NC(=C2)[C@@H](C)[C@@H]5CCC(=O)OC/C=C(\C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)C4=N3)C(CC)=C1C,C55H74N4O5,,870.565921468,FDHFJXKRMIVNCQ,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Phellodendron chinense,710068.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Phellodendron'],['Phellodendron chinense'],4,1,5.44458270072937 72836,2896,80,Terpenoids,Tryptophan alkaloids,Carbazole alkaloids,0.23614568,ISDB,FDHFJXKRMIVNCQ-CQBRDPJOSA-N,"InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,58,61H,1,14-25,27H2,2-12H3/b34-26+,44-28?,46-29?,47-30?,52-50?/t32-,33-,37-,41-,51+/m0/s1",C=CC1=C(C)C2=NC1=CC1=NC(=CC3=C(C)C4=C(O)[C@H](C(=O)OC)C(=C5NC(=C2)[C@@H](C)[C@@H]5CCC(=O)OC/C=C(\C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)C4=N3)C(CC)=C1C,C55H74N4O5,,870.565921468,FDHFJXKRMIVNCQ,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Ajuga taiwanensis,367347.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Ajuga'],['Ajuga taiwanensis'],4,1,5.44458270072937 72837,2896,80,Terpenoids,Tryptophan alkaloids,Carbazole alkaloids,0.23614568,ISDB,FDHFJXKRMIVNCQ-OSIZZBRKSA-N,"InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,58,61H,1,14-25,27H2,2-12H3/b34-26+,44-28?,46-29?,47-30?,52-50?/t32-,33-,37+,41+,51-/m1/s1",C=CC1=C(C)C2=NC1=CC1=NC(=CC3=C(C)C4=C(O)[C@H](C(=O)OC)C(=C5NC(=C2)[C@@H](C)[C@@H]5CCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C4=N3)C(CC)=C1C,C55H74N4O5,,870.565921468,FDHFJXKRMIVNCQ,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Isotrema kaempferi,656366.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Aristolochiaceae'],['Unknown'],['Aristolochia'],['Aristolochia kaempferi'],4,1,5.44458270072937 72838,2896,80,Terpenoids,Tryptophan alkaloids,Carbazole alkaloids,0.23614568,ISDB,FDHFJXKRMIVNCQ-CQBRDPJOSA-N,"InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,58,61H,1,14-25,27H2,2-12H3/b34-26+,44-28?,46-29?,47-30?,52-50?/t32-,33-,37-,41-,51+/m0/s1",C=CC1=C(C)C2=NC1=CC1=NC(=CC3=C(C)C4=C(O)[C@H](C(=O)OC)C(=C5NC(=C2)[C@@H](C)[C@@H]5CCC(=O)OC/C=C(\C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)C4=N3)C(CC)=C1C,C55H74N4O5,,870.565921468,FDHFJXKRMIVNCQ,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Aristolochia kaempferi,656366.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Aristolochiaceae'],['Unknown'],['Aristolochia'],['Aristolochia kaempferi'],4,1,5.44458270072937 72839,2896,80,Terpenoids,Tryptophan alkaloids,Carbazole alkaloids,0.23614568,ISDB,FDHFJXKRMIVNCQ-CQBRDPJOSA-N,"InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,58,61H,1,14-25,27H2,2-12H3/b34-26+,44-28?,46-29?,47-30?,52-50?/t32-,33-,37-,41-,51+/m0/s1",C=CC1=C(C)C2=NC1=CC1=NC(=CC3=C(C)C4=C(O)[C@H](C(=O)OC)C(=C5NC(=C2)[C@@H](C)[C@@H]5CCC(=O)OC/C=C(\C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)C4=N3)C(CC)=C1C,C55H74N4O5,,870.565921468,FDHFJXKRMIVNCQ,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Centaurea malacitana,7613211.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea malacitana'],4,1,5.44458270072937 72840,2896,80,Terpenoids,Tryptophan alkaloids,Carbazole alkaloids,0.23614568,ISDB,FDHFJXKRMIVNCQ-RRNMINROSA-N,"InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,58,61H,1,14-25,27H2,2-12H3/b34-26+,44-28?,46-29?,47-30?,52-50?",C=CC1=C(C)C2=NC1=CC1=NC(=CC3=C(C)C4=C(O)C(C(=O)OC)C(=C5NC(=C2)C(C)C5CCC(=O)OC/C=C(\C)CCCC(C)CCCC(C)CCCC(C)C)C4=N3)C(CC)=C1C,C55H74N4O5,,870.565921468,FDHFJXKRMIVNCQ,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Richardia grandiflora,3872538.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Spermacoceae'],['Richardia'],['Richardia grandiflora'],4,1,5.44458270072937 72841,2896,80,Terpenoids,Tryptophan alkaloids,Carbazole alkaloids,0.23614568,ISDB,FDHFJXKRMIVNCQ-CQBRDPJOSA-N,"InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,58,61H,1,14-25,27H2,2-12H3/b34-26+,44-28?,46-29?,47-30?,52-50?/t32-,33-,37-,41-,51+/m0/s1",C=CC1=C(C)C2=NC1=CC1=NC(=CC3=C(C)C4=C(O)[C@H](C(=O)OC)C(=C5NC(=C2)[C@@H](C)[C@@H]5CCC(=O)OC/C=C(\C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)C4=N3)C(CC)=C1C,C55H74N4O5,,870.565921468,FDHFJXKRMIVNCQ,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Berberis fendleri,854435.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Berberidaceae'],['Unknown'],['Berberis'],['Berberis fendleri'],4,1,5.44458270072937 72842,2896,80,Terpenoids,Tryptophan alkaloids,Carbazole alkaloids,0.23614568,ISDB,FDHFJXKRMIVNCQ-OSIZZBRKSA-N,"InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,58,61H,1,14-25,27H2,2-12H3/b34-26+,44-28?,46-29?,47-30?,52-50?/t32-,33-,37+,41+,51-/m1/s1",C=CC1=C(C)C2=NC1=CC1=NC(=CC3=C(C)C4=C(O)[C@H](C(=O)OC)C(=C5NC(=C2)[C@@H](C)[C@@H]5CCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C4=N3)C(CC)=C1C,C55H74N4O5,,870.565921468,FDHFJXKRMIVNCQ,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Ocimum labiatum,588789.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Ocimeae'],['Ocimum'],['Ocimum labiatum'],4,1,5.44458270072937 72818,2895,545,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,0.378723,ISDB,RXLNMWFWITXARW-UHFFFAOYSA-N,"InChI=1S/C13H13NO5/c1-15-8-5-4-7-9(11(8)17-3)14-13-12(10(7)16-2)18-6-19-13/h4-5H,6H2,1-3H3",COc1ccc2c(OC)c3c(nc2c1OC)OCO3,C13H13NO5,,263.079372516,RXLNMWFWITXARW,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,Acanthosyris paulo-alvinii,6041911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Santalales'],['Santalaceae'],['Unknown'],['Acanthosyris'],['Acanthosyris paulo-alvinii'],4,3,7.014891982078552 72816,2891,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,RWMKYKAUOZVIIN-UHFFFAOYSA-N,"InChI=1S/C12H14O2/c1-2-3-4-7-10-8-5-6-9-11(10)12(13)14/h3-6,8-9H,2,7H2,1H3,(H,13,14)",CCC=CCc1ccccc1C(=O)O,C12H14O2,pos_1_1proton,190.099379688,RWMKYKAUOZVIIN,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Delphinium elatum,518362.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium elatum'],6,0,6.0 72813,2890,-1,,,,0.22174005,ISDB,BHPAZNYFNIYRGM-UHFFFAOYSA-N,"InChI=1S/C14H23NO6/c1-3-14(19,9(2)16)13(18)21-8-10-4-6-15(20)7-5-11(17)12(10)15/h4,9,11-12,16-17,19H,3,5-8H2,1-2H3",CCC(O)(C(=O)OCC1=CC[N+]2([O-])CCC(O)C12)C(C)O,C14H23NO6,,301.152537456,BHPAZNYFNIYRGM,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Idea leuconoe,591518.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Lepidoptera'],['Nymphalidae'],['Danaini'],['Idea'],['Idea leuconoe'],1,0,1.886960208415985 72770,2889,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.70356953,ISDB,LTUMRKDLVGQMJU-IUBLYSDUSA-N,"InChI=1S/C18H30O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h9,11,13H,6-8,10,12,14H2,1-5H3/b16-11+,17-13+",CC(=O)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C,C18H30O,,262.22966558,LTUMRKDLVGQMJU,Fatty acids,Fatty acyls,Fatty aldehydes,Morina persica,326553.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Morina'],['Morina persica'],6,1,9.31427812576294 72745,2885,-1,,,,0.0,MS1_match,UXHIWGLCVSNCJC-RITZIESXSA-N,"InChI=1S/C35H56O8/c1-30(2)13-15-35(29(40)41)16-14-33(5)20(21(35)17-30)7-8-24-31(3)11-10-25(37)32(4,23(31)9-12-34(24,33)6)19-43-28-27(39)26(38)22(36)18-42-28/h7,21-28,36-39H,8-19H2,1-6H3,(H,40,41)/t21-,22-,23+,24+,25-,26-,27+,28-,31-,32-,33+,34+,35-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)[C@@H]5CC[C@]43C)[C@@H]2C1,C35H56O8,pos_1_1proton1isopropanol,604.397518752,UXHIWGLCVSNCJC,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis chinensis,841986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis chinensis'],8,0,8.0 72746,2885,-1,,,,0.0,MS1_match,QUBNLZCADIYAFW-CTLZLALTSA-N,"InChI=1S/C35H56O8/c1-30(2)13-15-35(29(40)41)16-14-33(5)20(21(35)17-30)7-8-24-31(3)11-10-25(43-28-27(39)26(38)22(37)18-42-28)32(4,19-36)23(31)9-12-34(24,33)6/h7,21-28,36-39H,8-19H2,1-6H3,(H,40,41)/t21-,22-,23+,24+,25-,26-,27+,28-,31-,32+,33+,34+,35-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C35H56O8,pos_1_1proton1isopropanol,604.397518752,QUBNLZCADIYAFW,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis chinensis,841986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis chinensis'],8,0,8.0 72747,2885,-1,,,,0.0,MS1_match,QUBNLZCADIYAFW-CTLZLALTSA-N,"InChI=1S/C35H56O8/c1-30(2)13-15-35(29(40)41)16-14-33(5)20(21(35)17-30)7-8-24-31(3)11-10-25(43-28-27(39)26(38)22(37)18-42-28)32(4,19-36)23(31)9-12-34(24,33)6/h7,21-28,36-39H,8-19H2,1-6H3,(H,40,41)/t21-,22-,23+,24+,25-,26-,27+,28-,31-,32+,33+,34+,35-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C35H56O8,pos_1_1proton1isopropanol,604.397518752,QUBNLZCADIYAFW,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis chinensis,841986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis chinensis'],8,0,8.0 72575,2882,29,Terpenoids,Triterpenoids,"Carotenoids (C40, Ψ-Ψ)",0.63793427,ISDB,XQIVDOSRZQSWFL-QKMNFNRLSA-N,"InChI=1S/C30H46O2/c1-25(2)13-14-27(5)15-16-29(7)19(20(27)18-25)17-21(31)24-28(6)11-10-23(32)26(3,4)22(28)9-12-30(24,29)8/h17,20,22,24H,9-16,18H2,1-8H3/t20-,22-,24+,27+,28-,29+,30+/m0/s1",CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H46O2,,438.349780712,XQIVDOSRZQSWFL,Terpenoids,Triterpenoids,Oleanane triterpenoids,Euonymus laxiflorus,310705.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus laxiflorus'],7,2,10.551737070083618 72562,2878,706,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,JZJSMQHXFBDMBB-RTQWZQBFSA-N,"InChI=1S/C42H68O14/c1-37(2)13-15-42(36(52)56-35-33(51)31(49)29(47)24(55-35)19-53-34-32(50)30(48)28(46)23(18-43)54-34)16-14-40(5)21(22(42)17-37)7-8-26-38(3)11-10-27(45)39(4,20-44)25(38)9-12-41(26,40)6/h7,22-35,43-51H,8-20H2,1-6H3/t22-,23+,24+,25+,26+,27-,28+,29+,30-,31-,32+,33+,34+,35-,38-,39-,40+,41+,42-/m0/s1",CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C42H68O14,pos_2_2proton,796.4609068560001,JZJSMQHXFBDMBB,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lonicera macrantha,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 72563,2878,706,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,JZJSMQHXFBDMBB-RTQWZQBFSA-N,"InChI=1S/C42H68O14/c1-37(2)13-15-42(36(52)56-35-33(51)31(49)29(47)24(55-35)19-53-34-32(50)30(48)28(46)23(18-43)54-34)16-14-40(5)21(22(42)17-37)7-8-26-38(3)11-10-27(45)39(4,20-44)25(38)9-12-41(26,40)6/h7,22-35,43-51H,8-20H2,1-6H3/t22-,23+,24+,25+,26+,27-,28+,29+,30-,31-,32+,33+,34+,35-,38-,39-,40+,41+,42-/m0/s1",CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C42H68O14,pos_2_2proton,796.4609068560001,JZJSMQHXFBDMBB,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lonicera macrantha,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 72564,2878,706,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,WCMJLEULXWUCRF-DYSZAQIFSA-N,"InChI=1S/C42H68O14/c1-37(2)13-15-42(36(51)52)16-14-40(5)21(22(42)17-37)7-8-26-38(3)11-10-27(39(4,20-45)25(38)9-12-41(26,40)6)55-35-33(31(49)29(47)24(19-44)54-35)56-34-32(50)30(48)28(46)23(18-43)53-34/h7,22-35,43-50H,8-20H2,1-6H3,(H,51,52)/t22-,23+,24+,25+,26+,27-,28-,29+,30-,31-,32+,33+,34-,35-,38-,39-,40+,41+,42-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C42H68O14,pos_2_2proton,796.460906856,WCMJLEULXWUCRF,Terpenoids,Triterpenoids,Oleanane triterpenoids,Anemone patens var. multifida,5264024.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Anemone'],['Anemone patens'],7,3,8.5 72565,2878,706,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,WCMJLEULXWUCRF-DYSZAQIFSA-N,"InChI=1S/C42H68O14/c1-37(2)13-15-42(36(51)52)16-14-40(5)21(22(42)17-37)7-8-26-38(3)11-10-27(39(4,20-45)25(38)9-12-41(26,40)6)55-35-33(31(49)29(47)24(19-44)54-35)56-34-32(50)30(48)28(46)23(18-43)53-34/h7,22-35,43-50H,8-20H2,1-6H3,(H,51,52)/t22-,23+,24+,25+,26+,27-,28-,29+,30-,31-,32+,33+,34-,35-,38-,39-,40+,41+,42-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C42H68O14,pos_2_2proton,796.460906856,WCMJLEULXWUCRF,Terpenoids,Triterpenoids,Oleanane triterpenoids,Anemone patens var. multifida,5264024.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Anemone'],['Anemone patens'],7,3,8.5 72566,2878,706,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,YEBCEGBBUMGPQI-OLTREEDVSA-N,"InChI=1S/C42H68O14/c1-37(2)13-15-42(36(52)56-35-33(51)31(49)29(47)24(19-44)54-35)16-14-40(5)21(22(42)17-37)7-8-26-38(3)11-10-27(39(4,20-45)25(38)9-12-41(26,40)6)55-34-32(50)30(48)28(46)23(18-43)53-34/h7,22-35,43-51H,8-20H2,1-6H3/t22-,23+,24+,25+,26+,27-,28+,29+,30-,31-,32+,33+,34-,35-,38-,39-,40+,41+,42-/m0/s1",CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C42H68O14,pos_2_2proton,796.4609068560001,YEBCEGBBUMGPQI,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lonicera bournei,5746380.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera bournei'],7,3,8.5 72567,2878,706,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,YEBCEGBBUMGPQI-OLTREEDVSA-N,"InChI=1S/C42H68O14/c1-37(2)13-15-42(36(52)56-35-33(51)31(49)29(47)24(19-44)54-35)16-14-40(5)21(22(42)17-37)7-8-26-38(3)11-10-27(39(4,20-45)25(38)9-12-41(26,40)6)55-34-32(50)30(48)28(46)23(18-43)53-34/h7,22-35,43-51H,8-20H2,1-6H3/t22-,23+,24+,25+,26+,27-,28+,29+,30-,31-,32+,33+,34-,35-,38-,39-,40+,41+,42-/m0/s1",CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C42H68O14,pos_2_2proton,796.4609068560001,YEBCEGBBUMGPQI,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lonicera bournei,5746380.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera bournei'],7,3,8.5 72570,2878,706,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,JZFXHKGLHKHXPY-OBHNSGKSSA-N,"InChI=1S/C42H68O14/c1-37(2)13-15-42(36(51)52)16-14-40(5)21(22(42)17-37)7-8-26-38(3)11-10-27(45)39(4,25(38)9-12-41(26,40)6)20-53-35-33(31(49)29(47)24(19-44)55-35)56-34-32(50)30(48)28(46)23(18-43)54-34/h7,22-35,43-50H,8-20H2,1-6H3,(H,51,52)/t22-,23+,24+,25+,26+,27-,28+,29+,30-,31-,32+,33+,34-,35+,38-,39-,40+,41+,42-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@H]5CC[C@]43C)[C@@H]2C1,C42H68O14,pos_2_2proton,796.460906856,JZFXHKGLHKHXPY,Terpenoids,Triterpenoids,Oleanane triterpenoids,Anemonastrum flaccidum,750046.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Anemone'],['Anemone flaccida'],7,3,8.5 72557,2873,-1,,,,0.0,MS1_match,NQYKVDKWBKOHRD-UHFFFAOYSA-N,"InChI=1S/C23H34O8/c1-6-14(4)8-20(26)31-22-21-17(9-18(30-15(5)24)23(21)12-29-23)16(11-28-22)10-27-19(25)7-13(2)3/h11,13-14,17-18,21-22H,6-10,12H2,1-5H3",CCC(C)CC(=O)OC1OC=C(COC(=O)CC(C)C)C2CC(OC(C)=O)C3(CO3)C12,C23H34O8,pos_1_1proton1isopropanol,438.225368048,NQYKVDKWBKOHRD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 72558,2873,-1,,,,0.0,MS1_match,NQYKVDKWBKOHRD-UHFFFAOYSA-N,"InChI=1S/C23H34O8/c1-6-14(4)8-20(26)31-22-21-17(9-18(30-15(5)24)23(21)12-29-23)16(11-28-22)10-27-19(25)7-13(2)3/h11,13-14,17-18,21-22H,6-10,12H2,1-5H3",CCC(C)CC(=O)OC1OC=C(COC(=O)CC(C)C)C2CC(OC(C)=O)C3(CO3)C12,C23H34O8,pos_1_1proton1isopropanol,438.225368048,NQYKVDKWBKOHRD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana prionophylla,526653.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana prionophylla'],6,0,6.0 72559,2873,-1,,,,0.0,MS1_match,NQYKVDKWBKOHRD-UHFFFAOYSA-N,"InChI=1S/C23H34O8/c1-6-14(4)8-20(26)31-22-21-17(9-18(30-15(5)24)23(21)12-29-23)16(11-28-22)10-27-19(25)7-13(2)3/h11,13-14,17-18,21-22H,6-10,12H2,1-5H3",CCC(C)CC(=O)OC1OC=C(COC(=O)CC(C)C)C2CC(OC(C)=O)C3(CO3)C12,C23H34O8,pos_1_1proton1isopropanol,438.225368048,NQYKVDKWBKOHRD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana pulchella,5746422.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana pulchella'],6,0,6.0 72560,2873,-1,,,,0.0,MS1_match,NQYKVDKWBKOHRD-UHFFFAOYSA-N,"InChI=1S/C23H34O8/c1-6-14(4)8-20(26)31-22-21-17(9-18(30-15(5)24)23(21)12-29-23)16(11-28-22)10-27-19(25)7-13(2)3/h11,13-14,17-18,21-22H,6-10,12H2,1-5H3",CCC(C)CC(=O)OC1OC=C(COC(=O)CC(C)C)C2CC(OC(C)=O)C3(CO3)C12,C23H34O8,pos_1_1proton1isopropanol,438.225368048,NQYKVDKWBKOHRD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,0,6.0 72561,2873,-1,,,,0.0,MS1_match,NQYKVDKWBKOHRD-UHFFFAOYSA-N,"InChI=1S/C23H34O8/c1-6-14(4)8-20(26)31-22-21-17(9-18(30-15(5)24)23(21)12-29-23)16(11-28-22)10-27-19(25)7-13(2)3/h11,13-14,17-18,21-22H,6-10,12H2,1-5H3",CCC(C)CC(=O)OC1OC=C(COC(=O)CC(C)C)C2CC(OC(C)=O)C3(CO3)C12,C23H34O8,pos_1_1proton1isopropanol,438.225368048,NQYKVDKWBKOHRD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana capensis,135852.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana capensis'],6,0,6.0 72543,2872,-1,,,,0.0,MS1_match,TYPSVDGIQAOBAD-DZGCQCFKSA-N,"InChI=1S/C15H20O/c1-10-5-4-6-15(3)8-14-12(7-13(10)15)11(2)9-16-14/h9,13H,1,4-8H2,2-3H3/t13-,15+/m0/s1",C=C1CCC[C@]2(C)Cc3occ(C)c3C[C@@H]12,C15H20O,pos_2MH,216.15141526,TYPSVDGIQAOBAD,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Actaea simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],6,0,6.0 72544,2872,-1,,,,0.0,MS1_match,TYPSVDGIQAOBAD-DZGCQCFKSA-N,"InChI=1S/C15H20O/c1-10-5-4-6-15(3)8-14-12(7-13(10)15)11(2)9-16-14/h9,13H,1,4-8H2,2-3H3/t13-,15+/m0/s1",C=C1CCC[C@]2(C)Cc3occ(C)c3C[C@@H]12,C15H20O,pos_2MH,216.15141526,TYPSVDGIQAOBAD,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Cimicifuga simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],6,0,6.0 72542,2871,-1,,,,0.0,MS1_match,JGYRCOIPRDVLMU-YNLINXDKSA-N,"InChI=1S/C25H41NO4/c1-6-26-13-23(3)9-8-19(29-5)25-15-10-14-17(28-4)12-24(30-7-2,20(15)21(14)27)16(22(25)26)11-18(23)25/h14-22,27H,6-13H2,1-5H3/t14-,15-,16+,17+,18-,19+,20-,21+,22-,23+,24+,25-/m1/s1",CCO[C@]12C[C@H](OC)[C@H]3C[C@H]([C@@H]1[C@H]3O)[C@@]13[C@@H](OC)CC[C@@]4(C)CN(CC)[C@@H]1[C@@H]2C[C@H]43,C25H41NO4,pos_1_1proton,419.3035587919999,JGYRCOIPRDVLMU,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum variegatum,586783.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum variegatum'],6,0,6.0 72538,2869,-1,,,,0.0,MS1_match,BPDZJMCTHRVRNC-HRAGAMGESA-N,"InChI=1S/C31H54O2/c1-20(2)21(3)12-19-31(9,33)23-13-17-29(7)22(23)10-11-25-28(6)16-15-26(32)27(4,5)24(28)14-18-30(25,29)8/h21-26,32-33H,1,10-19H2,2-9H3/t21-,22+,23-,24-,25+,26-,28-,29+,30+,31+/m0/s1",C=C(C)[C@@H](C)CC[C@@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C,C31H54O2,pos_1_1proton1acetonitrile,458.4123809679999,BPDZJMCTHRVRNC,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Salacia chinensis,380833.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Salacia'],['Salacia chinensis'],6,0,6.0 72539,2869,-1,,,,0.0,MS1_match,BPDZJMCTHRVRNC-HRAGAMGESA-N,"InChI=1S/C31H54O2/c1-20(2)21(3)12-19-31(9,33)23-13-17-29(7)22(23)10-11-25-28(6)16-15-26(32)27(4,5)24(28)14-18-30(25,29)8/h21-26,32-33H,1,10-19H2,2-9H3/t21-,22+,23-,24-,25+,26-,28-,29+,30+,31+/m0/s1",C=C(C)[C@@H](C)CC[C@@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C,C31H54O2,pos_1_1proton1acetonitrile,458.4123809679999,BPDZJMCTHRVRNC,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Salacia chinensis,380833.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Salacia'],['Salacia chinensis'],6,0,6.0 72540,2869,-1,,,,0.0,MS1_match,GHYYPJMOIDQJRP-CFMDIQLFSA-N,"InChI=1S/C31H54O2/c1-20(2)21(3)12-19-31(9,33)23-13-17-29(7)22(23)10-11-25-28(6)16-15-26(32)27(4,5)24(28)14-18-30(25,29)8/h20,22-26,32-33H,3,10-19H2,1-2,4-9H3/t22-,23+,24+,25-,26+,28+,29-,30-,31+/m1/s1",C=C(CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C)C(C)C,C31H54O2,pos_1_1proton1acetonitrile,458.4123809679999,GHYYPJMOIDQJRP,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Salacia chinensis,380833.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Salacia'],['Salacia chinensis'],6,0,6.0 72541,2869,-1,,,,0.0,MS1_match,GHYYPJMOIDQJRP-CFMDIQLFSA-N,"InChI=1S/C31H54O2/c1-20(2)21(3)12-19-31(9,33)23-13-17-29(7)22(23)10-11-25-28(6)16-15-26(32)27(4,5)24(28)14-18-30(25,29)8/h20,22-26,32-33H,3,10-19H2,1-2,4-9H3/t22-,23+,24+,25-,26+,28+,29-,30-,31+/m1/s1",C=C(CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C)C(C)C,C31H54O2,pos_1_1proton1acetonitrile,458.4123809679999,GHYYPJMOIDQJRP,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Salacia chinensis,380833.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Salacia'],['Salacia chinensis'],6,0,6.0 72537,2868,-1,,,,0.0,MS1_match,PJIVLFIKRZQZOE-URGZVSNXSA-N,"InChI=1S/C26H33NO11/c1-3-16-17(9-8-15-6-4-10-27(12-15)11-5-7-20(29)30)18(24(34)35-2)14-36-25(16)38-26-23(33)22(32)21(31)19(13-28)37-26/h3-4,6,8-10,12,14,16-17,19,21-23,25-26,28,31-33H,1,5,7,11,13H2,2H3/b9-8+/t16-,17+,19-,21-,22+,23-,25+,26+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1/C=C/c1ccc[n+](CCCC(=O)[O-])c1,C26H33NO11,pos_1_1proton,535.205360876,PJIVLFIKRZQZOE,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],8,0,8.0 72534,2865,7,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.0,MS1_match,XXZPXRQPWFAXCK-WQFMGJDKSA-N,"InChI=1S/C17H26O5/c1-10(2)7-15(19)22-17-16-11(3)5-6-14(16)13(9-21-17)8-20-12(4)18/h9-11,14,16-17H,5-8H2,1-4H3/t11-,14+,16+,17-/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2[C@@H]1CC[C@@H]2C,C17H26O5,pos_1_1proton2acetonitrile,310.178023932,XXZPXRQPWFAXCK,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,1,6.5 72524,2864,-1,,,,0.0,MS1_match,LAGBIQKFHSDYJZ-GADKELDLSA-N,"InChI=1S/C22H35NO3/c1-14-15-4-7-22(19(14)26)17(10-15)21-6-3-5-20(2,16(21)11-18(22)25)12-23(13-21)8-9-24/h15-19,24-26H,1,3-13H2,2H3/t15-,16+,17-,18+,19+,20-,21-,22+/m0/s1",C=C1[C@H]2CC[C@@]3([C@H](O)C[C@@H]4[C@@]5(C)CCC[C@@]4(CN(CCO)C5)[C@@H]3C2)[C@@H]1O,C22H35NO3,pos_1_1proton1methanol,361.26169398,LAGBIQKFHSDYJZ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium oliverianum,733345.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida oliveriana'],6,0,6.0 72525,2864,-1,,,,0.0,MS1_match,LAGBIQKFHSDYJZ-GADKELDLSA-N,"InChI=1S/C22H35NO3/c1-14-15-4-7-22(19(14)26)17(10-15)21-6-3-5-20(2,16(21)11-18(22)25)12-23(13-21)8-9-24/h15-19,24-26H,1,3-13H2,2H3/t15-,16+,17-,18+,19+,20-,21-,22+/m0/s1",C=C1[C@H]2CC[C@@]3([C@H](O)C[C@@H]4[C@@]5(C)CCC[C@@]4(CN(CCO)C5)[C@@H]3C2)[C@@H]1O,C22H35NO3,pos_1_1proton1methanol,361.26169398,LAGBIQKFHSDYJZ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Consolida ajacis,756488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida ajacis'],6,0,6.0 72526,2864,-1,,,,0.0,MS1_match,LAGBIQKFHSDYJZ-GADKELDLSA-N,"InChI=1S/C22H35NO3/c1-14-15-4-7-22(19(14)26)17(10-15)21-6-3-5-20(2,16(21)11-18(22)25)12-23(13-21)8-9-24/h15-19,24-26H,1,3-13H2,2H3/t15-,16+,17-,18+,19+,20-,21-,22+/m0/s1",C=C1[C@H]2CC[C@@]3([C@H](O)C[C@@H]4[C@@]5(C)CCC[C@@]4(CN(CCO)C5)[C@@H]3C2)[C@@H]1O,C22H35NO3,pos_1_1proton1methanol,361.26169398,LAGBIQKFHSDYJZ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Consolida ambigua,693548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida ambigua'],6,0,6.0 72527,2864,-1,,,,0.0,MS1_match,LAGBIQKFHSDYJZ-SVMKMBGISA-N,"InChI=1S/C22H35NO3/c1-14-15-4-7-22(19(14)26)17(10-15)21-6-3-5-20(2,16(21)11-18(22)25)12-23(13-21)8-9-24/h15-19,24-26H,1,3-13H2,2H3/t15-,16-,17+,18+,19+,20-,21-,22+/m0/s1",C=C1[C@H]2CC[C@@]3([C@H](O)C[C@H]4[C@@]5(C)CCC[C@@]4(CN(CCO)C5)[C@H]3C2)[C@@H]1O,C22H35NO3,pos_1_1proton1methanol,361.26169398,LAGBIQKFHSDYJZ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Consolida pubescens,733338.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida pubescens'],6,0,6.0 72528,2864,-1,,,,0.0,MS1_match,LAGBIQKFHSDYJZ-SVMKMBGISA-N,"InChI=1S/C22H35NO3/c1-14-15-4-7-22(19(14)26)17(10-15)21-6-3-5-20(2,16(21)11-18(22)25)12-23(13-21)8-9-24/h15-19,24-26H,1,3-13H2,2H3/t15-,16-,17+,18+,19+,20-,21-,22+/m0/s1",C=C1[C@H]2CC[C@@]3([C@H](O)C[C@H]4[C@@]5(C)CCC[C@@]4(CN(CCO)C5)[C@H]3C2)[C@@H]1O,C22H35NO3,pos_1_1proton1methanol,361.26169398,LAGBIQKFHSDYJZ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium pubescens,756488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida ajacis'],6,0,6.0 72529,2864,-1,,,,0.0,MS1_match,LAGBIQKFHSDYJZ-SVMKMBGISA-N,"InChI=1S/C22H35NO3/c1-14-15-4-7-22(19(14)26)17(10-15)21-6-3-5-20(2,16(21)11-18(22)25)12-23(13-21)8-9-24/h15-19,24-26H,1,3-13H2,2H3/t15-,16-,17+,18+,19+,20-,21-,22+/m0/s1",C=C1[C@H]2CC[C@@]3([C@H](O)C[C@H]4[C@@]5(C)CCC[C@@]4(CN(CCO)C5)[C@H]3C2)[C@@H]1O,C22H35NO3,pos_1_1proton1methanol,361.26169398,LAGBIQKFHSDYJZ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium ambiguum,756488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida ajacis'],6,0,6.0 72530,2864,-1,,,,0.0,MS1_match,LAGBIQKFHSDYJZ-SVMKMBGISA-N,"InChI=1S/C22H35NO3/c1-14-15-4-7-22(19(14)26)17(10-15)21-6-3-5-20(2,16(21)11-18(22)25)12-23(13-21)8-9-24/h15-19,24-26H,1,3-13H2,2H3/t15-,16-,17+,18+,19+,20-,21-,22+/m0/s1",C=C1[C@H]2CC[C@@]3([C@H](O)C[C@H]4[C@@]5(C)CCC[C@@]4(CN(CCO)C5)[C@H]3C2)[C@@H]1O,C22H35NO3,pos_1_1proton1methanol,361.26169398,LAGBIQKFHSDYJZ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium ajacis,756488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida ajacis'],6,0,6.0 72531,2864,-1,,,,0.0,MS1_match,BNNSBUJXIHFJBX-SFTNKBJPSA-N,"InChI=1S/C22H35NO3/c1-4-23-10-20(3)6-5-17(25)22-15(20)7-13(18(22)23)21-9-12(11(2)19(21)26)14(24)8-16(21)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12+,13-,14+,15+,16+,17-,18+,19+,20-,21-,22-/m0/s1",CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@@H]2C[C@@H]([C@@H]13)[C@]12C[C@H]([C@H](C)[C@H]1O)[C@H](O)C[C@H]24,C22H35NO3,pos_1_1proton1methanol,361.26169398,BNNSBUJXIHFJBX,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum kongboense,723190.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum kongboense'],6,0,6.0 72532,2864,-1,,,,0.0,MS1_match,VFRHLKNINNUPQV-IUCVIKEYSA-N,"InChI=1S/C22H35NO3/c1-14-10-17-21(4,19(26)15(14)2)18(25)11-16-20(3)6-5-7-22(16,17)13-23(12-20)8-9-24/h9,14,16-19,25-26H,2,5-8,10-13H2,1,3-4H3/t14-,16+,17+,18+,19+,20-,21+,22-/m0/s1",C=C1[C@@H](O)[C@@]2(C)[C@H](O)C[C@@H]3[C@@]4(C)CCC[C@@]3(CN(CC=O)C4)[C@@H]2C[C@@H]1C,C22H35NO3,pos_1_1proton1methanol,361.26169398,VFRHLKNINNUPQV,Terpenoids,Diterpenoids,,Consolida orientalis,701719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida orientalis'],6,0,6.0 72533,2864,-1,,,,0.0,MS1_match,HYRPLPZQZOSPPF-VZSSTYFJSA-N,"InChI=1S/C22H35NO3/c1-4-23-11-20(2)7-6-16(26-3)22-13-9-12-5-8-21(25,17(13)18(12)24)14(19(22)23)10-15(20)22/h12-19,24-25H,4-11H2,1-3H3/t12-,13+,14-,15+,16+,17+,18-,19+,20-,21-,22+/m0/s1",CCN1C[C@]2(C)CC[C@@H](OC)[C@@]34[C@@H]5C[C@@H]6CC[C@@](O)([C@H]5[C@H]6O)[C@@H](C[C@H]23)[C@@H]14,C22H35NO3,pos_1_1proton1methanol,361.26169398,HYRPLPZQZOSPPF,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium souliei,6131807.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium souliei'],6,0,6.0 72516,2862,-1,,,,0.0,MS1_match,SBLZVJIHPWRSQQ-UHFFFAOYSA-N,"InChI=1S/C20H24O6/c1-24-17-10-13(5-6-16(17)23)19-15(11-22)14-8-12(4-3-7-21)9-18(25-2)20(14)26-19/h5-6,8-10,15,19,21-23H,3-4,7,11H2,1-2H3",COc1cc(C2Oc3c(OC)cc(CCCO)cc3C2CO)ccc1O,C20H24O6,pos_1_sodium,360.15728848799995,SBLZVJIHPWRSQQ,Shikimates and Phenylpropanoids,Lignans,Neolignans,Clematis delavayi,72769.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis delavayi'],8,0,8.0 72517,2862,-1,,,,0.0,MS1_match,SBLZVJIHPWRSQQ-UHFFFAOYSA-N,"InChI=1S/C20H24O6/c1-24-17-10-13(5-6-16(17)23)19-15(11-22)14-8-12(4-3-7-21)9-18(25-2)20(14)26-19/h5-6,8-10,15,19,21-23H,3-4,7,11H2,1-2H3",COc1cc(C2Oc3c(OC)cc(CCCO)cc3C2CO)ccc1O,C20H24O6,pos_1_sodium,360.15728848799995,SBLZVJIHPWRSQQ,Shikimates and Phenylpropanoids,Lignans,Neolignans,Clematis delavayi,72769.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis delavayi'],8,0,8.0 72515,2857,-1,,,,0.29515973,ISDB,WVHAUDNUGBNUDZ-GOVZDWNOSA-N,"InChI=1S/C12H14O7/c13-7-8(14)10(11(16)17)19-12(9(7)15)18-6-4-2-1-3-5-6/h1-5,7-10,12-15H,(H,16,17)/t7-,8-,9+,10-,12+/m0/s1",O=C(O)[C@H]1O[C@@H](Oc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O,C12H14O7,,270.073952788,WVHAUDNUGBNUDZ,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Glycine max,681762.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Glycine max'],4,0,5.180638909339905 72410,2856,129,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.4874609,ISDB,VINQZMMOIPTITQ-QWYWWIDCSA-N,"InChI=1S/C48H78O18/c1-22-38(66-41-36(57)33(54)31(52)26(64-41)20-61-39-35(56)32(53)30(51)25(19-49)63-39)34(55)37(58)40(62-22)65-29-11-12-44(4)27(45(29,5)21-50)10-13-47(7)28(44)9-8-23-24-18-43(2,3)14-16-48(24,42(59)60)17-15-46(23,47)6/h8,22,24-41,49-58H,9-21H2,1-7H3,(H,59,60)/t22-,24-,25+,26+,27+,28+,29-,30+,31+,32-,33-,34-,35+,36+,37+,38-,39+,40-,41-,44-,45-,46+,47+,48-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC=C3[C@@H]5CC(C)(C)CC[C@]5(C(=O)O)CC[C@]34C)[C@]2(C)CO)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C48H78O18,,942.518815656,VINQZMMOIPTITQ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Cephalaria transsylvanica,3892197.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Cephalaria'],['Cephalaria transsylvanica'],6,3,9.449843645095825 72409,2853,-1,,,,0.20397075,ISDB,NWJVERSQVLPTOS-FSONPFIFSA-N,"InChI=1S/C26H38O12/c1-13-4-3-5-15(6-7-16-14(2)23(32)37-17(16)8-13)9-34-24-21(30)20(29)19(28)18(38-24)10-35-25-22(31)26(33,11-27)12-36-25/h4,6,17-22,24-25,27-31,33H,3,5,7-12H2,1-2H3/b13-4+,15-6-/t17-,18+,19+,20-,21+,22-,24+,25+,26+/m0/s1",CC1=C2C/C=C(\CO[C@@H]3O[C@H](CO[C@@H]4OC[C@](O)(CO)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC/C=C(\C)C[C@@H]2OC1=O,C26H38O12,,542.2363266559998,NWJVERSQVLPTOS,Terpenoids,,,Sarcandra glabra,650198.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Chloranthales'],['Chloranthaceae'],['Unknown'],['Sarcandra'],['Sarcandra glabra'],4,0,4.815882980823517 72380,2852,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.28855008,ISDB,YVOCTABTPCVYNG-UHFFFAOYSA-N,"InChI=1S/C12H18O4/c1-9(10(2)8-12(15)16)6-4-3-5-7-11(13)14/h1-8H2,(H,13,14)(H,15,16)",C=C(CCCCCC(=O)O)C(=C)CC(=O)O,C12H18O4,,226.120509056,YVOCTABTPCVYNG,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],4,0,5.154200315475464 72304,2851,94,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.7576129,ISDB,KBGYPXOSNDMZRV-UHFFFAOYSA-N,"InChI=1S/C16H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h3-4,6-7,9-10H,2,5,8,11-15H2,1H3,(H,17,18)",CCC=CCC=CCC=CCCCCCC(=O)O,C16H26O2,,250.193280072,KBGYPXOSNDMZRV,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Apium graveolens,2472.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Apieae'],['Apium'],['Apium graveolens'],4,3,8.530451536178589 72305,2851,94,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.7576129,ISDB,KBGYPXOSNDMZRV-IUQGRGSQSA-N,"InChI=1S/C16H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h3-4,6-7,9-10H,2,5,8,11-15H2,1H3,(H,17,18)/b4-3+,7-6+,10-9+",CC/C=C/C/C=C/C/C=C/CCCCCC(=O)O,C16H26O2,,250.193280072,KBGYPXOSNDMZRV,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Brassica napus,309234.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica napus'],4,3,8.530451536178589 72204,2849,117,Terpenoids,Octadecanoids,Other Octadecanoids,0.7483109,ISDB,ACHDMUPTZYZIGR-JPAZTHTMSA-N,"InChI=1S/C18H28O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h3-4,6,8,11,14H,2,5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b4-3+,8-6+,14-11+",CC/C=C/C/C=C/C=C/C(=O)CCCCCCCC(=O)O,C18H28O3,,292.203844756,ACHDMUPTZYZIGR,Fatty acids,Octadecanoids,Other Octadecanoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],4,3,8.49324369430542 72205,2849,117,Terpenoids,Octadecanoids,Other Octadecanoids,0.7483109,ISDB,ACHDMUPTZYZIGR-CUHSZNQNSA-N,"InChI=1S/C18H28O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h3-4,6,8,11,14H,2,5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b4-3-,8-6-,14-11+",CC/C=C\C/C=C\C=C\C(=O)CCCCCCCC(=O)O,C18H28O3,,292.203844756,ACHDMUPTZYZIGR,Fatty acids,Octadecanoids,Other Octadecanoids,Isatis tinctoria,631500.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Isatideae'],['Isatis'],['Isatis tinctoria'],4,3,8.49324369430542 72125,2848,265,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.5434964,ISDB,SMUVABOERCFKRW-UHFFFAOYSA-N,"InChI=1S/C9H10O/c1-7-3-4-8(2)9(5-7)6-10/h3-6H,1-2H3",Cc1ccc(C)c(C=O)c1,C9H10O,,134.07316494,SMUVABOERCFKRW,Terpenoids,,,Camellia sinensis,1058509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Theaceae'],['Unknown'],['Camellia'],['Camellia sinensis'],4,1,6.673985481262207 72090,2844,-1,,,,0.0,MS1_match,UFCLZKMFXSILNL-UHFFFAOYSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(35,24(33)34)11-19(30)23(20)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,35H,11-12H2,(H,33,34)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1OC(=O)C=Cc1ccc(O)c(O)c1,C25H24O12,pos_1_sodium,516.1267762079999,UFCLZKMFXSILNL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],8,0,8.0 72091,2844,-1,,,,0.0,MS1_match,UFCLZKMFXSILNL-UHFFFAOYSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(35,24(33)34)11-19(30)23(20)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,35H,11-12H2,(H,33,34)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1OC(=O)C=Cc1ccc(O)c(O)c1,C25H24O12,pos_1_sodium,516.1267762079999,UFCLZKMFXSILNL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],8,0,8.0 72092,2844,-1,,,,0.0,MS1_match,UFCLZKMFXSILNL-UHFFFAOYSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(35,24(33)34)11-19(30)23(20)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,35H,11-12H2,(H,33,34)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1OC(=O)C=Cc1ccc(O)c(O)c1,C25H24O12,pos_1_sodium,516.1267762079999,UFCLZKMFXSILNL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],8,0,8.0 72089,2842,-1,,,,0.0,MS1_match,XQVQOVDNWBXCHM-HBGFXZTGSA-N,"InChI=1S/C25H32O14/c1-7-16-17(8-9-26)18(23(31)32-6)10-34-24(16)39-25-22(37-15(5)30)21(36-14(4)29)20(35-13(3)28)19(38-25)11-33-12(2)27/h7,9-10,16-17,19-22,24-25H,1,8,11H2,2-6H3/t16?,17?,19-,20-,21+,22-,24+,25+/m1/s1",C=CC1C(CC=O)C(C(=O)OC)=CO[C@H]1O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O,C25H32O14,pos_1_1proton1methanol,556.179205704,XQVQOVDNWBXCHM,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 72085,2837,-1,,,,0.0,MS1_match,XWOHZIIPBYAMJX-KHBMLBSESA-N,"InChI=1S/C11H16O5/c1-5-8(12)3-6-7(10(13)15-2)4-16-11(14)9(5)6/h4-6,8-9,11-12,14H,3H2,1-2H3/t5-,6+,8-,9+,11+/m0/s1",COC(=O)C1=CO[C@@H](O)[C@@H]2[C@@H](C)[C@@H](O)C[C@H]12,C11H16O5,pos_2MHNH3,228.099773612,XWOHZIIPBYAMJX,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Dipsacus laciniatus,489131.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Dipsacus'],['Dipsacus laciniatus'],6,0,6.0 72086,2837,-1,,,,0.0,MS1_match,HJTVDWWIPXDJBB-UHFFFAOYSA-N,"InChI=1S/C11H16O5/c1-6(5-12)7-4-8(13)11(2,15)9(7)10(14)16-3/h5,7-9,13,15H,1,4H2,2-3H3",C=C(C=O)C1CC(O)C(C)(O)C1C(=O)OC,C11H16O5,pos_2MHNH3,228.099773612,HJTVDWWIPXDJBB,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,0,6.0 72087,2837,-1,,,,0.0,MS1_match,NGJFTIGDSFYTPY-UHFFFAOYSA-N,"InChI=1S/C11H16O5/c1-11-7(12)3-5-6(4-15-11)10(14-2)16-9(13)8(5)11/h5-8,10,12H,3-4H2,1-2H3",COC1OC(=O)C2C3CC(O)C2(C)OCC13,C11H16O5,pos_2MHNH3,228.099773612,NGJFTIGDSFYTPY,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,0,6.0 72088,2837,-1,,,,0.0,MS1_match,CCTSZLOYMHLMHP-UHFFFAOYSA-N,"InChI=1S/C10H16O5/c1-10(14)7(12)2-6-5(3-11)4-15-9(13)8(6)10/h5-8,11-12,14H,2-4H2,1H3",CC1(O)C(O)CC2C(CO)COC(=O)C21,C10H16O5,pos_2MHCH3CN,216.099773612,CCTSZLOYMHLMHP,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,0,6.0 72035,2836,-1,,,,0.0,MS1_match,PNKADVXQUJDNSJ-WBBRWVNZSA-N,"InChI=1S/C23H37NO7/c1-4-24-9-20(10-25)6-5-14(26)22-12-7-11-13(30-2)8-21(28,15(12)16(11)27)23(29,19(22)24)18(31-3)17(20)22/h11-19,25-29H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19+,20+,21-,22+,23-/m1/s1",CCN1C[C@]2(CO)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C23H37NO7,pos_1_1proton1methanol,439.2570025239999,PNKADVXQUJDNSJ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium omeiense,699546.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium omeiense'],6,0,6.0 72036,2836,-1,,,,0.0,MS1_match,PNKADVXQUJDNSJ-WBBRWVNZSA-N,"InChI=1S/C23H37NO7/c1-4-24-9-20(10-25)6-5-14(26)22-12-7-11-13(30-2)8-21(28,15(12)16(11)27)23(29,19(22)24)18(31-3)17(20)22/h11-19,25-29H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19+,20+,21-,22+,23-/m1/s1",CCN1C[C@]2(CO)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C23H37NO7,pos_1_1proton1methanol,439.2570025239999,PNKADVXQUJDNSJ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum,756111.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Unknown'],6,0,6.0 72037,2836,-1,,,,0.0,MS1_match,PNKADVXQUJDNSJ-INICUGGLSA-N,"InChI=1S/C23H37NO7/c1-4-24-9-20(10-25)6-5-14(26)22-12-7-11-13(30-2)8-21(28,15(12)16(11)27)23(29,19(22)24)18(31-3)17(20)22/h11-19,25-29H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19+,20+,21-,22+,23+/m1/s1",CCN1C[C@]2(CO)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)[C@H]23)[C@@H]14,C23H37NO7,pos_1_1proton1methanol,439.257002524,PNKADVXQUJDNSJ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium orientale,701719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida orientalis'],6,0,6.0 72038,2836,-1,,,,0.0,MS1_match,PNKADVXQUJDNSJ-INICUGGLSA-N,"InChI=1S/C23H37NO7/c1-4-24-9-20(10-25)6-5-14(26)22-12-7-11-13(30-2)8-21(28,15(12)16(11)27)23(29,19(22)24)18(31-3)17(20)22/h11-19,25-29H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19+,20+,21-,22+,23+/m1/s1",CCN1C[C@]2(CO)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)[C@H]23)[C@@H]14,C23H37NO7,pos_1_1proton1methanol,439.257002524,PNKADVXQUJDNSJ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium pubescens,756488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida ajacis'],6,0,6.0 72039,2836,-1,,,,0.0,MS1_match,PNKADVXQUJDNSJ-INICUGGLSA-N,"InChI=1S/C23H37NO7/c1-4-24-9-20(10-25)6-5-14(26)22-12-7-11-13(30-2)8-21(28,15(12)16(11)27)23(29,19(22)24)18(31-3)17(20)22/h11-19,25-29H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19+,20+,21-,22+,23+/m1/s1",CCN1C[C@]2(CO)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)[C@H]23)[C@@H]14,C23H37NO7,pos_1_1proton1methanol,439.257002524,PNKADVXQUJDNSJ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Consolida pubescens,733338.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida pubescens'],6,0,6.0 72040,2836,-1,,,,0.0,MS1_match,PNKADVXQUJDNSJ-WBBRWVNZSA-N,"InChI=1S/C23H37NO7/c1-4-24-9-20(10-25)6-5-14(26)22-12-7-11-13(30-2)8-21(28,15(12)16(11)27)23(29,19(22)24)18(31-3)17(20)22/h11-19,25-29H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19+,20+,21-,22+,23-/m1/s1",CCN1C[C@]2(CO)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C23H37NO7,pos_1_1proton1methanol,439.2570025239999,PNKADVXQUJDNSJ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium nudicaule,643530.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium nudicaule'],6,0,6.0 72041,2836,-1,,,,0.0,MS1_match,PNKADVXQUJDNSJ-MVQJQBBKSA-N,"InChI=1S/C23H37NO7/c1-4-24-9-20(10-25)6-5-14(26)22-12-7-11-13(30-2)8-21(28,15(12)16(11)27)23(29,19(22)24)18(31-3)17(20)22/h11-19,25-29H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18-,19+,20+,21-,22+,23-/m1/s1",CCN1C[C@]2(CO)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@H](OC)[C@H]23)[C@@H]14,C23H37NO7,pos_1_1proton1methanol,439.257002524,PNKADVXQUJDNSJ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium consolida,756488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida ajacis'],6,0,6.0 72042,2836,-1,,,,0.0,MS1_match,PNKADVXQUJDNSJ-MVQJQBBKSA-N,"InChI=1S/C23H37NO7/c1-4-24-9-20(10-25)6-5-14(26)22-12-7-11-13(30-2)8-21(28,15(12)16(11)27)23(29,19(22)24)18(31-3)17(20)22/h11-19,25-29H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18-,19+,20+,21-,22+,23-/m1/s1",CCN1C[C@]2(CO)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@H](OC)[C@H]23)[C@@H]14,C23H37NO7,pos_1_1proton1methanol,439.257002524,PNKADVXQUJDNSJ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Consolida regalis,733334.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida regalis'],6,0,6.0 72043,2836,-1,,,,0.0,MS1_match,QMRUISKQGDXAFF-KZQSOGKNSA-N,"InChI=1S/C23H37NO7/c1-5-24-11-19(25)7-6-16(30-3)22-15(19)8-13(17(22)24)20(26)10-14(29-2)12-9-21(22,27)23(20,28)18(12)31-4/h12-18,25-28H,5-11H2,1-4H3/t12-,13+,14+,15-,16+,17-,18+,19-,20+,21-,22+,23+/m1/s1",CCN1C[C@]2(O)CC[C@H](OC)[C@@]34[C@@H]2C[C@@H]([C@@H]13)[C@@]1(O)C[C@H](OC)[C@H]2C[C@]4(O)[C@]1(O)[C@H]2OC,C23H37NO7,pos_1_1proton1methanol,439.257002524,QMRUISKQGDXAFF,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum orientale,586781.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum orientale'],6,0,6.0 72044,2836,-1,,,,0.0,MS1_match,QMRUISKQGDXAFF-KZQSOGKNSA-N,"InChI=1S/C23H37NO7/c1-5-24-11-19(25)7-6-16(30-3)22-15(19)8-13(17(22)24)20(26)10-14(29-2)12-9-21(22,27)23(20,28)18(12)31-4/h12-18,25-28H,5-11H2,1-4H3/t12-,13+,14+,15-,16+,17-,18+,19-,20+,21-,22+,23+/m1/s1",CCN1C[C@]2(O)CC[C@H](OC)[C@@]34[C@@H]2C[C@@H]([C@@H]13)[C@@]1(O)C[C@H](OC)[C@H]2C[C@]4(O)[C@]1(O)[C@H]2OC,C23H37NO7,pos_1_1proton1methanol,439.257002524,QMRUISKQGDXAFF,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum lycoctonum,14055.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum lycoctonum'],6,0,6.0 72045,2836,-1,,,,0.0,MS1_match,QMRUISKQGDXAFF-KZQSOGKNSA-N,"InChI=1S/C23H37NO7/c1-5-24-11-19(25)7-6-16(30-3)22-15(19)8-13(17(22)24)20(26)10-14(29-2)12-9-21(22,27)23(20,28)18(12)31-4/h12-18,25-28H,5-11H2,1-4H3/t12-,13+,14+,15-,16+,17-,18+,19-,20+,21-,22+,23+/m1/s1",CCN1C[C@]2(O)CC[C@H](OC)[C@@]34[C@@H]2C[C@@H]([C@@H]13)[C@@]1(O)C[C@H](OC)[C@H]2C[C@]4(O)[C@]1(O)[C@H]2OC,C23H37NO7,pos_1_1proton1methanol,439.257002524,QMRUISKQGDXAFF,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum septentrionale,586782.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum septentrionale'],6,0,6.0 72046,2836,-1,,,,0.0,MS1_match,DJPVCLSVSGRWRS-MVQJQBBKSA-N,"InChI=1S/C23H37NO7/c1-4-24-9-20(10-25)6-5-14(26)22-12-7-11-13(30-2)8-21(31-3,15(12)16(11)27)23(29,19(22)24)18(28)17(20)22/h11-19,25-29H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18-,19+,20+,21-,22+,23-/m1/s1",CCN1C[C@]2(CO)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](OC)(C[C@@H]6OC)[C@@](O)([C@H](O)[C@H]23)[C@@H]14,C23H37NO7,pos_1_1proton1methanol,439.257002524,DJPVCLSVSGRWRS,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium hohenackeri,591154.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitella'],['Aconitella hohenackeri'],6,0,6.0 72047,2836,-1,,,,0.0,MS1_match,DJPVCLSVSGRWRS-MVQJQBBKSA-N,"InChI=1S/C23H37NO7/c1-4-24-9-20(10-25)6-5-14(26)22-12-7-11-13(30-2)8-21(31-3,15(12)16(11)27)23(29,19(22)24)18(28)17(20)22/h11-19,25-29H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18-,19+,20+,21-,22+,23-/m1/s1",CCN1C[C@]2(CO)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](OC)(C[C@@H]6OC)[C@@](O)([C@H](O)[C@H]23)[C@@H]14,C23H37NO7,pos_1_1proton1methanol,439.257002524,DJPVCLSVSGRWRS,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium pubescens,756488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida ajacis'],6,0,6.0 72048,2836,-1,,,,0.0,MS1_match,DJPVCLSVSGRWRS-MVQJQBBKSA-N,"InChI=1S/C23H37NO7/c1-4-24-9-20(10-25)6-5-14(26)22-12-7-11-13(30-2)8-21(31-3,15(12)16(11)27)23(29,19(22)24)18(28)17(20)22/h11-19,25-29H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18-,19+,20+,21-,22+,23-/m1/s1",CCN1C[C@]2(CO)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](OC)(C[C@@H]6OC)[C@@](O)([C@H](O)[C@H]23)[C@@H]14,C23H37NO7,pos_1_1proton1methanol,439.257002524,DJPVCLSVSGRWRS,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Consolida pubescens,733338.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida pubescens'],6,0,6.0 72049,2836,-1,,,,0.0,MS1_match,DJPVCLSVSGRWRS-MVQJQBBKSA-N,"InChI=1S/C23H37NO7/c1-4-24-9-20(10-25)6-5-14(26)22-12-7-11-13(30-2)8-21(31-3,15(12)16(11)27)23(29,19(22)24)18(28)17(20)22/h11-19,25-29H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18-,19+,20+,21-,22+,23-/m1/s1",CCN1C[C@]2(CO)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](OC)(C[C@@H]6OC)[C@@](O)([C@H](O)[C@H]23)[C@@H]14,C23H37NO7,pos_1_1proton1methanol,439.257002524,DJPVCLSVSGRWRS,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Consolida ajacis,756488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida ajacis'],6,0,6.0 72050,2836,-1,,,,0.0,MS1_match,DJPVCLSVSGRWRS-MVQJQBBKSA-N,"InChI=1S/C23H37NO7/c1-4-24-9-20(10-25)6-5-14(26)22-12-7-11-13(30-2)8-21(31-3,15(12)16(11)27)23(29,19(22)24)18(28)17(20)22/h11-19,25-29H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18-,19+,20+,21-,22+,23-/m1/s1",CCN1C[C@]2(CO)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](OC)(C[C@@H]6OC)[C@@](O)([C@H](O)[C@H]23)[C@@H]14,C23H37NO7,pos_1_1proton1methanol,439.257002524,DJPVCLSVSGRWRS,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium orientale,701719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida orientalis'],6,0,6.0 72051,2836,-1,,,,0.0,MS1_match,DJPVCLSVSGRWRS-MVQJQBBKSA-N,"InChI=1S/C23H37NO7/c1-4-24-9-20(10-25)6-5-14(26)22-12-7-11-13(30-2)8-21(31-3,15(12)16(11)27)23(29,19(22)24)18(28)17(20)22/h11-19,25-29H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18-,19+,20+,21-,22+,23-/m1/s1",CCN1C[C@]2(CO)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](OC)(C[C@@H]6OC)[C@@](O)([C@H](O)[C@H]23)[C@@H]14,C23H37NO7,pos_1_1proton1methanol,439.257002524,DJPVCLSVSGRWRS,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium ajacis,756488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida ajacis'],6,0,6.0 72052,2836,-1,,,,0.0,MS1_match,DJPVCLSVSGRWRS-MVQJQBBKSA-N,"InChI=1S/C23H37NO7/c1-4-24-9-20(10-25)6-5-14(26)22-12-7-11-13(30-2)8-21(31-3,15(12)16(11)27)23(29,19(22)24)18(28)17(20)22/h11-19,25-29H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18-,19+,20+,21-,22+,23-/m1/s1",CCN1C[C@]2(CO)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](OC)(C[C@@H]6OC)[C@@](O)([C@H](O)[C@H]23)[C@@H]14,C23H37NO7,pos_1_1proton1methanol,439.257002524,DJPVCLSVSGRWRS,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Consolida orientalis,701719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida orientalis'],6,0,6.0 72053,2836,-1,,,,0.0,MS1_match,WXRJWKVQRIKXMW-UHFFFAOYSA-N,"InChI=1S/C23H37NO7/c1-3-6-24-9-20(10-31-2)5-4-14(26)22-12-7-11-13(25)8-21(29,15(12)16(11)27)23(30,19(22)24)18(28)17(20)22/h11-19,25-30H,3-10H2,1-2H3",CCCN1CC2(COC)CCC(O)C34C5CC6C(O)CC(O)(C5C6O)C(O)(C(O)C23)C14,C23H37NO7,pos_1_1proton1methanol,439.257002524,WXRJWKVQRIKXMW,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium macrocentrum,259368.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium macrocentrum'],6,0,6.0 72054,2836,-1,,,,0.0,MS1_match,IBLZVTWOJQLRST-ALQGZAJVSA-N,"InChI=1S/C23H37NO7/c1-4-24-9-20(10-30-2)6-5-14(25)22-13-7-11-12(31-3)8-21(28,23(13,29)19(11)27)15(18(22)24)16(26)17(20)22/h11-19,25-29H,4-10H2,1-3H3/t11-,12+,13+,14+,15+,16+,17-,18-,19+,20+,21+,22+,23+/m1/s1",CCN1C[C@]2(COC)CC[C@H](O)[C@@]34[C@@H]2[C@@H](O)[C@@H]([C@@H]13)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@]1(O)[C@H]2O,C23H37NO7,pos_1_1proton1methanol,439.2570025239999,IBLZVTWOJQLRST,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum carmichaelii,549536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum carmichaelii'],6,0,6.0 72055,2836,-1,,,,0.0,MS1_match,OLEIIQFNFBXIQS-UHFFFAOYSA-N,"InChI=1S/C23H37NO7/c1-4-24-9-20(10-30-2)6-5-14(26)22-12-7-11-13(25)8-21(28,15(12)16(11)27)23(29,19(22)24)18(31-3)17(20)22/h11-19,25-29H,4-10H2,1-3H3",CCN1CC2(COC)CCC(O)C34C5CC6C(O)CC(O)(C5C6O)C(O)(C(OC)C23)C14,C23H37NO7,pos_1_1proton1methanol,439.257002524,OLEIIQFNFBXIQS,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium macrocentrum,259368.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium macrocentrum'],6,0,6.0 72056,2836,-1,,,,0.0,MS1_match,OLEIIQFNFBXIQS-VQTORUAOSA-N,"InChI=1S/C23H37NO7/c1-4-24-9-20(10-30-2)6-5-14(26)22-12-7-11-13(25)8-21(28,15(12)16(11)27)23(29,19(22)24)18(31-3)17(20)22/h11-19,25-29H,4-10H2,1-3H3/t11-,12-,13+,14-,15-,16-,17+,18+,19-,20-,21-,22-,23+/m1/s1",CCN1C[C@@]2(COC)CC[C@@H](O)[C@@]34[C@@H]5C[C@H]6[C@@H](O)[C@@H]5[C@](O)(C[C@@H]6O)[C@@](O)([C@H]13)[C@@H](OC)[C@@H]24,C23H37NO7,pos_1_1proton1methanol,439.257002524,OLEIIQFNFBXIQS,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium triste,6131829.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium triste'],6,0,6.0 72057,2836,-1,,,,0.0,MS1_match,PNKADVXQUJDNSJ-WBBRWVNZSA-N,"InChI=1S/C23H37NO7/c1-4-24-9-20(10-25)6-5-14(26)22-12-7-11-13(30-2)8-21(28,15(12)16(11)27)23(29,19(22)24)18(31-3)17(20)22/h11-19,25-29H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19+,20+,21-,22+,23-/m1/s1",CCN1C[C@]2(CO)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C23H37NO7,pos_1_1proton1methanol,439.2570025239999,PNKADVXQUJDNSJ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium andersonii,591156.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium andersonii'],6,0,6.0 72058,2836,-1,,,,0.0,MS1_match,PNKADVXQUJDNSJ-WBBRWVNZSA-N,"InChI=1S/C23H37NO7/c1-4-24-9-20(10-25)6-5-14(26)22-12-7-11-13(30-2)8-21(28,15(12)16(11)27)23(29,19(22)24)18(31-3)17(20)22/h11-19,25-29H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19+,20+,21-,22+,23-/m1/s1",CCN1C[C@]2(CO)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C23H37NO7,pos_1_1proton1methanol,439.2570025239999,PNKADVXQUJDNSJ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium menziesii,643534.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium menziesii'],6,0,6.0 72059,2836,-1,,,,0.0,MS1_match,PNKADVXQUJDNSJ-XVXCPXLRSA-N,"InChI=1S/C23H37NO7/c1-4-24-9-20(10-25)6-5-14(26)22-12-7-11-13(30-2)8-21(28,15(12)16(11)27)23(29,19(22)24)18(31-3)17(20)22/h11-19,25-29H,4-10H2,1-3H3/t11-,12+,13-,14-,15+,16-,17+,18+,19?,20-,21+,22-,23-/m0/s1",CCN1C[C@]2(CO)CC[C@H](O)[C@]34C1[C@@](O)([C@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@@H]2C[C@@H]4[C@@H]1[C@H]2O,C23H37NO7,pos_1_1proton1methanol,439.257002524,PNKADVXQUJDNSJ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum variegatum,586783.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum variegatum'],6,0,6.0 72060,2836,-1,,,,0.0,MS1_match,PNKADVXQUJDNSJ-WBBRWVNZSA-N,"InChI=1S/C23H37NO7/c1-4-24-9-20(10-25)6-5-14(26)22-12-7-11-13(30-2)8-21(28,15(12)16(11)27)23(29,19(22)24)18(31-3)17(20)22/h11-19,25-29H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19+,20+,21-,22+,23-/m1/s1",CCN1C[C@]2(CO)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C23H37NO7,pos_1_1proton1methanol,439.2570025239999,PNKADVXQUJDNSJ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum japonicum,5511352.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum japonicum'],6,0,6.0 72061,2836,-1,,,,0.0,MS1_match,PNKADVXQUJDNSJ-WBBRWVNZSA-N,"InChI=1S/C23H37NO7/c1-4-24-9-20(10-25)6-5-14(26)22-12-7-11-13(30-2)8-21(28,15(12)16(11)27)23(29,19(22)24)18(31-3)17(20)22/h11-19,25-29H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19+,20+,21-,22+,23-/m1/s1",CCN1C[C@]2(CO)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C23H37NO7,pos_1_1proton1methanol,439.2570025239999,PNKADVXQUJDNSJ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Consolida ajacis,756488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida ajacis'],6,0,6.0 72062,2836,-1,,,,0.0,MS1_match,PNKADVXQUJDNSJ-WBBRWVNZSA-N,"InChI=1S/C23H37NO7/c1-4-24-9-20(10-25)6-5-14(26)22-12-7-11-13(30-2)8-21(28,15(12)16(11)27)23(29,19(22)24)18(31-3)17(20)22/h11-19,25-29H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19+,20+,21-,22+,23-/m1/s1",CCN1C[C@]2(CO)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C23H37NO7,pos_1_1proton1methanol,439.2570025239999,PNKADVXQUJDNSJ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Consolida ambigua,693548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida ambigua'],6,0,6.0 72063,2836,-1,,,,0.0,MS1_match,PNKADVXQUJDNSJ-WBBRWVNZSA-N,"InChI=1S/C23H37NO7/c1-4-24-9-20(10-25)6-5-14(26)22-12-7-11-13(30-2)8-21(28,15(12)16(11)27)23(29,19(22)24)18(31-3)17(20)22/h11-19,25-29H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19+,20+,21-,22+,23-/m1/s1",CCN1C[C@]2(CO)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C23H37NO7,pos_1_1proton1methanol,439.2570025239999,PNKADVXQUJDNSJ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium ajacis,756488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida ajacis'],6,0,6.0 72064,2836,-1,,,,0.0,MS1_match,PNKADVXQUJDNSJ-WBBRWVNZSA-N,"InChI=1S/C23H37NO7/c1-4-24-9-20(10-25)6-5-14(26)22-12-7-11-13(30-2)8-21(28,15(12)16(11)27)23(29,19(22)24)18(31-3)17(20)22/h11-19,25-29H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19+,20+,21-,22+,23-/m1/s1",CCN1C[C@]2(CO)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C23H37NO7,pos_1_1proton1methanol,439.2570025239999,PNKADVXQUJDNSJ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium oliverianum,733345.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida oliveriana'],6,0,6.0 72065,2836,-1,,,,0.0,MS1_match,PNKADVXQUJDNSJ-WBBRWVNZSA-N,"InChI=1S/C23H37NO7/c1-4-24-9-20(10-25)6-5-14(26)22-12-7-11-13(30-2)8-21(28,15(12)16(11)27)23(29,19(22)24)18(31-3)17(20)22/h11-19,25-29H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19+,20+,21-,22+,23-/m1/s1",CCN1C[C@]2(CO)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C23H37NO7,pos_1_1proton1methanol,439.2570025239999,PNKADVXQUJDNSJ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Consolida orientalis,701719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida orientalis'],6,0,6.0 72066,2836,-1,,,,0.0,MS1_match,PNKADVXQUJDNSJ-WBBRWVNZSA-N,"InChI=1S/C23H37NO7/c1-4-24-9-20(10-25)6-5-14(26)22-12-7-11-13(30-2)8-21(28,15(12)16(11)27)23(29,19(22)24)18(31-3)17(20)22/h11-19,25-29H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19+,20+,21-,22+,23-/m1/s1",CCN1C[C@]2(CO)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C23H37NO7,pos_1_1proton1methanol,439.2570025239999,PNKADVXQUJDNSJ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum japonicum,5511352.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum japonicum'],6,0,6.0 72067,2836,-1,,,,0.0,MS1_match,PNKADVXQUJDNSJ-XVXCPXLRSA-N,"InChI=1S/C23H37NO7/c1-4-24-9-20(10-25)6-5-14(26)22-12-7-11-13(30-2)8-21(28,15(12)16(11)27)23(29,19(22)24)18(31-3)17(20)22/h11-19,25-29H,4-10H2,1-3H3/t11-,12+,13-,14-,15+,16-,17+,18+,19?,20-,21+,22-,23-/m0/s1",CCN1C[C@]2(CO)CC[C@H](O)[C@]34C1[C@@](O)([C@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@@H]2C[C@@H]4[C@@H]1[C@H]2O,C23H37NO7,pos_1_1proton1methanol,439.257002524,PNKADVXQUJDNSJ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum variegatum,586783.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum variegatum'],6,0,6.0 72068,2836,-1,,,,0.0,MS1_match,PNKADVXQUJDNSJ-WBBRWVNZSA-N,"InChI=1S/C23H37NO7/c1-4-24-9-20(10-25)6-5-14(26)22-12-7-11-13(30-2)8-21(28,15(12)16(11)27)23(29,19(22)24)18(31-3)17(20)22/h11-19,25-29H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19+,20+,21-,22+,23-/m1/s1",CCN1C[C@]2(CO)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C23H37NO7,pos_1_1proton1methanol,439.2570025239999,PNKADVXQUJDNSJ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium menziesii,643534.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium menziesii'],6,0,6.0 72069,2836,-1,,,,0.0,MS1_match,PNKADVXQUJDNSJ-WBBRWVNZSA-N,"InChI=1S/C23H37NO7/c1-4-24-9-20(10-25)6-5-14(26)22-12-7-11-13(30-2)8-21(28,15(12)16(11)27)23(29,19(22)24)18(31-3)17(20)22/h11-19,25-29H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19+,20+,21-,22+,23-/m1/s1",CCN1C[C@]2(CO)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C23H37NO7,pos_1_1proton1methanol,439.2570025239999,PNKADVXQUJDNSJ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium andersonii,591156.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium andersonii'],6,0,6.0 72070,2836,-1,,,,0.0,MS1_match,PNKADVXQUJDNSJ-WBBRWVNZSA-N,"InChI=1S/C23H37NO7/c1-4-24-9-20(10-25)6-5-14(26)22-12-7-11-13(30-2)8-21(28,15(12)16(11)27)23(29,19(22)24)18(31-3)17(20)22/h11-19,25-29H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19+,20+,21-,22+,23-/m1/s1",CCN1C[C@]2(CO)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C23H37NO7,pos_1_1proton1methanol,439.2570025239999,PNKADVXQUJDNSJ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum,756111.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Unknown'],6,0,6.0 72071,2836,-1,,,,0.0,MS1_match,XZMQBOLTQNBOEK-CGDFZAFZSA-N,"InChI=1S/C23H37NO7/c1-4-24-10-19(11-30-2)6-5-15(31-3)23-12-7-21(28)14(25)9-20(27,16(12)18(21)26)13(17(23)24)8-22(19,23)29/h12-18,25-29H,4-11H2,1-3H3/t12-,13-,14-,15-,16-,17+,18-,19-,20+,21+,22-,23+/m1/s1",CCN1C[C@@]2(COC)CC[C@@H](OC)[C@]34[C@@H]5C[C@]6(O)[C@H](O)C[C@@](O)([C@H]5[C@H]6O)[C@H](C[C@@]23O)[C@H]14,C23H37NO7,pos_1_1proton1methanol,439.257002524,XZMQBOLTQNBOEK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum hemsleyanum var. circinatum,97183.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum hemsleyanum'],6,0,6.0 72072,2836,-1,,,,0.0,MS1_match,PNKADVXQUJDNSJ-INICUGGLSA-N,"InChI=1S/C23H37NO7/c1-4-24-9-20(10-25)6-5-14(26)22-12-7-11-13(30-2)8-21(28,15(12)16(11)27)23(29,19(22)24)18(31-3)17(20)22/h11-19,25-29H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19+,20+,21-,22+,23+/m1/s1",CCN1C[C@]2(CO)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)[C@H]23)[C@@H]14,C23H37NO7,pos_1_1proton1methanol,439.257002524,PNKADVXQUJDNSJ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium orientale,701719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida orientalis'],6,0,6.0 72073,2836,-1,,,,0.0,MS1_match,PNKADVXQUJDNSJ-INICUGGLSA-N,"InChI=1S/C23H37NO7/c1-4-24-9-20(10-25)6-5-14(26)22-12-7-11-13(30-2)8-21(28,15(12)16(11)27)23(29,19(22)24)18(31-3)17(20)22/h11-19,25-29H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19+,20+,21-,22+,23+/m1/s1",CCN1C[C@]2(CO)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)[C@H]23)[C@@H]14,C23H37NO7,pos_1_1proton1methanol,439.257002524,PNKADVXQUJDNSJ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Consolida pubescens,733338.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida pubescens'],6,0,6.0 72074,2836,-1,,,,0.0,MS1_match,PNKADVXQUJDNSJ-WBBRWVNZSA-N,"InChI=1S/C23H37NO7/c1-4-24-9-20(10-25)6-5-14(26)22-12-7-11-13(30-2)8-21(28,15(12)16(11)27)23(29,19(22)24)18(31-3)17(20)22/h11-19,25-29H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19+,20+,21-,22+,23-/m1/s1",CCN1C[C@]2(CO)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C23H37NO7,pos_1_1proton1methanol,439.2570025239999,PNKADVXQUJDNSJ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium nudicaule,643530.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium nudicaule'],6,0,6.0 72075,2836,-1,,,,0.0,MS1_match,PNKADVXQUJDNSJ-MVQJQBBKSA-N,"InChI=1S/C23H37NO7/c1-4-24-9-20(10-25)6-5-14(26)22-12-7-11-13(30-2)8-21(28,15(12)16(11)27)23(29,19(22)24)18(31-3)17(20)22/h11-19,25-29H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18-,19+,20+,21-,22+,23-/m1/s1",CCN1C[C@]2(CO)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@H](OC)[C@H]23)[C@@H]14,C23H37NO7,pos_1_1proton1methanol,439.257002524,PNKADVXQUJDNSJ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium consolida,756488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida ajacis'],6,0,6.0 72076,2836,-1,,,,0.0,MS1_match,PNKADVXQUJDNSJ-MVQJQBBKSA-N,"InChI=1S/C23H37NO7/c1-4-24-9-20(10-25)6-5-14(26)22-12-7-11-13(30-2)8-21(28,15(12)16(11)27)23(29,19(22)24)18(31-3)17(20)22/h11-19,25-29H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18-,19+,20+,21-,22+,23-/m1/s1",CCN1C[C@]2(CO)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@H](OC)[C@H]23)[C@@H]14,C23H37NO7,pos_1_1proton1methanol,439.257002524,PNKADVXQUJDNSJ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Consolida regalis,733334.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida regalis'],6,0,6.0 72077,2836,-1,,,,0.0,MS1_match,PNKADVXQUJDNSJ-WBBRWVNZSA-N,"InChI=1S/C23H37NO7/c1-4-24-9-20(10-25)6-5-14(26)22-12-7-11-13(30-2)8-21(28,15(12)16(11)27)23(29,19(22)24)18(31-3)17(20)22/h11-19,25-29H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19+,20+,21-,22+,23-/m1/s1",CCN1C[C@]2(CO)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C23H37NO7,pos_1_1proton1methanol,439.2570025239999,PNKADVXQUJDNSJ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium omeiense,699546.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium omeiense'],6,0,6.0 72078,2836,-1,,,,0.0,MS1_match,PNKADVXQUJDNSJ-WBBRWVNZSA-N,"InChI=1S/C23H37NO7/c1-4-24-9-20(10-25)6-5-14(26)22-12-7-11-13(30-2)8-21(28,15(12)16(11)27)23(29,19(22)24)18(31-3)17(20)22/h11-19,25-29H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19+,20+,21-,22+,23-/m1/s1",CCN1C[C@]2(CO)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C23H37NO7,pos_1_1proton1methanol,439.2570025239999,PNKADVXQUJDNSJ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Consolida ajacis,756488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida ajacis'],6,0,6.0 72079,2836,-1,,,,0.0,MS1_match,PNKADVXQUJDNSJ-WBBRWVNZSA-N,"InChI=1S/C23H37NO7/c1-4-24-9-20(10-25)6-5-14(26)22-12-7-11-13(30-2)8-21(28,15(12)16(11)27)23(29,19(22)24)18(31-3)17(20)22/h11-19,25-29H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19+,20+,21-,22+,23-/m1/s1",CCN1C[C@]2(CO)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C23H37NO7,pos_1_1proton1methanol,439.2570025239999,PNKADVXQUJDNSJ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Consolida ambigua,693548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida ambigua'],6,0,6.0 72080,2836,-1,,,,0.0,MS1_match,PNKADVXQUJDNSJ-WBBRWVNZSA-N,"InChI=1S/C23H37NO7/c1-4-24-9-20(10-25)6-5-14(26)22-12-7-11-13(30-2)8-21(28,15(12)16(11)27)23(29,19(22)24)18(31-3)17(20)22/h11-19,25-29H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19+,20+,21-,22+,23-/m1/s1",CCN1C[C@]2(CO)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C23H37NO7,pos_1_1proton1methanol,439.2570025239999,PNKADVXQUJDNSJ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium ajacis,756488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida ajacis'],6,0,6.0 72081,2836,-1,,,,0.0,MS1_match,PNKADVXQUJDNSJ-WBBRWVNZSA-N,"InChI=1S/C23H37NO7/c1-4-24-9-20(10-25)6-5-14(26)22-12-7-11-13(30-2)8-21(28,15(12)16(11)27)23(29,19(22)24)18(31-3)17(20)22/h11-19,25-29H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19+,20+,21-,22+,23-/m1/s1",CCN1C[C@]2(CO)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C23H37NO7,pos_1_1proton1methanol,439.2570025239999,PNKADVXQUJDNSJ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium oliverianum,733345.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida oliveriana'],6,0,6.0 72082,2836,-1,,,,0.0,MS1_match,PNKADVXQUJDNSJ-WBBRWVNZSA-N,"InChI=1S/C23H37NO7/c1-4-24-9-20(10-25)6-5-14(26)22-12-7-11-13(30-2)8-21(28,15(12)16(11)27)23(29,19(22)24)18(31-3)17(20)22/h11-19,25-29H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19+,20+,21-,22+,23-/m1/s1",CCN1C[C@]2(CO)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C23H37NO7,pos_1_1proton1methanol,439.2570025239999,PNKADVXQUJDNSJ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Consolida orientalis,701719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida orientalis'],6,0,6.0 72083,2836,-1,,,,0.0,MS1_match,PNKADVXQUJDNSJ-INICUGGLSA-N,"InChI=1S/C23H37NO7/c1-4-24-9-20(10-25)6-5-14(26)22-12-7-11-13(30-2)8-21(28,15(12)16(11)27)23(29,19(22)24)18(31-3)17(20)22/h11-19,25-29H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19+,20+,21-,22+,23+/m1/s1",CCN1C[C@]2(CO)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)[C@H]23)[C@@H]14,C23H37NO7,pos_1_1proton1methanol,439.257002524,PNKADVXQUJDNSJ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium pubescens,756488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida ajacis'],6,0,6.0 72084,2836,-1,,,,0.0,MS1_match,YKULCQCEMPRYQG-PLUCXMMOSA-N,"InChI=1S/C23H37NO7/c1-4-24-9-20(10-30-2)6-5-14(25)22-12-7-11-13(31-3)8-21(28,15(12)16(11)26)23(29,19(22)24)18(27)17(20)22/h11-19,25-29H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16-,17-,18+,19+,20+,21-,22+,23-/m1/s1",CCN1C[C@]2(COC)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](O)[C@H]23)[C@@H]14,C23H37NO7,pos_1_1proton1methanol,439.257002524,YKULCQCEMPRYQG,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum delphiniifolium,506023.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum delphiniifolium'],6,0,6.0 72014,2835,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.40275997,ISDB,SZNQPFAEOXCITM-PWBFPFQSSA-N,"InChI=1S/C12H22O3/c1-5-10(9(2)3)6-7-12(4,15)8-11(13)14/h6-7,9-10,15H,5,8H2,1-4H3,(H,13,14)/b7-6+/t10-,12-/m1/s1",CC[C@H](/C=C/[C@@](C)(O)CC(=O)O)C(C)C,C12H22O3,,214.156894564,SZNQPFAEOXCITM,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],4,0,5.611039876937866 72007,2834,345,Shikimates and Phenylpropanoids,Lignans,Naphthalenes and derivatives,0.0,MS1_match,UEEFSWPSRLSUQJ-NOMYRAODSA-N,"InChI=1S/C25H31NO11/c1-2-15-16(8-7-14-5-3-9-26(11-14)10-4-6-19(28)29)17(23(33)34)13-35-24(15)37-25-22(32)21(31)20(30)18(12-27)36-25/h2-3,5,7-9,11,13,15-16,18,20-22,24-25,27,30-32H,1,4,6,10,12H2,(H-,28,29,33,34)/b8-7+/t15-,16+,18-,20-,21+,22-,24+,25+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)[O-])[C@H]1/C=C/c1ccc[n+](CCCC(=O)O)c1,C25H31NO11,pos_1_1proton1methanol,521.1897108119997,UEEFSWPSRLSUQJ,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 72008,2834,345,Shikimates and Phenylpropanoids,Lignans,Naphthalenes and derivatives,0.0,MS1_match,QGCICTMJHHIGBT-LSWTWQANSA-N,"InChI=1S/C25H31NO11/c1-4-15-16(7-6-13-8-14(22(31)32)10-26(5-2)9-13)17(23(33)34-3)12-35-24(15)37-25-21(30)20(29)19(28)18(11-27)36-25/h4,6-10,12,15-16,18-21,24-25,27-30H,1,5,11H2,2-3H3/b7-6+/t15-,16+,18-,19-,20+,21-,24+,25+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1/C=C/c1cc(C(=O)[O-])c[n+](CC)c1,C25H31NO11,pos_1_1proton1methanol,521.1897108119998,QGCICTMJHHIGBT,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 72009,2834,345,Shikimates and Phenylpropanoids,Lignans,Naphthalenes and derivatives,0.0,MS1_match,DRAPQDCEBKBPQE-ACFZRETJSA-N,"InChI=1S/C26H32O12/c1-33-17-7-12(3-5-15(17)28)23-14-10-35-24(13-4-6-16(29)18(8-13)34-2)26(14,11-36-23)38-25-22(32)21(31)20(30)19(9-27)37-25/h3-8,14,19-25,27-32H,9-11H2,1-2H3/t14-,19-,20-,21+,22-,23-,24-,25+,26-/m1/s1",COc1cc([C@H]2OC[C@]3(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](c4ccc(O)c(OC)c4)OC[C@H]23)ccc1O,C26H32O12,pos_1_1proton1ammonium,536.1893764639999,DRAPQDCEBKBPQE,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,2,7.0 72010,2834,345,Shikimates and Phenylpropanoids,Lignans,Naphthalenes and derivatives,0.0,MS1_match,ORRYWOBRSQRASU-UHFFFAOYSA-N,"InChI=1S/C26H32O12/c1-33-17-7-12(3-5-15(17)28)23-14-10-35-24(26(14,32)11-36-23)13-4-6-16(18(8-13)34-2)37-25-22(31)21(30)20(29)19(9-27)38-25/h3-8,14,19-25,27-32H,9-11H2,1-2H3",COc1cc(C2OCC3(O)C(c4ccc(OC5OC(CO)C(O)C(O)C5O)c(OC)c4)OCC23)ccc1O,C26H32O12,pos_1_1proton1ammonium,536.189376464,ORRYWOBRSQRASU,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,2,7.0 72011,2834,345,Shikimates and Phenylpropanoids,Lignans,Naphthalenes and derivatives,0.0,MS1_match,ORRYWOBRSQRASU-UHFFFAOYSA-N,"InChI=1S/C26H32O12/c1-33-17-7-12(3-5-15(17)28)23-14-10-35-24(26(14,32)11-36-23)13-4-6-16(18(8-13)34-2)37-25-22(31)21(30)20(29)19(9-27)38-25/h3-8,14,19-25,27-32H,9-11H2,1-2H3",COc1cc(C2OCC3(O)C(c4ccc(OC5OC(CO)C(O)C(O)C5O)c(OC)c4)OCC23)ccc1O,C26H32O12,pos_1_1proton1ammonium,536.189376464,ORRYWOBRSQRASU,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,2,7.0 72012,2834,345,Shikimates and Phenylpropanoids,Lignans,Naphthalenes and derivatives,0.0,MS1_match,GQLQVPZSTWXDBQ-ZOKOZUFBSA-N,"InChI=1S/C26H32O12/c1-33-17-8-13(3-5-15(17)28)24-26(32)11-36-23(14(26)10-35-24)12-4-6-16(18(7-12)34-2)37-25-22(31)21(30)20(29)19(9-27)38-25/h3-8,14,19-25,27-32H,9-11H2,1-2H3/t14-,19-,20-,21+,22-,23-,24-,25-,26-/m1/s1",COc1cc([C@H]2OC[C@@H]3[C@@H](c4ccc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)c(OC)c4)OC[C@]23O)ccc1O,C26H32O12,pos_1_1proton1ammonium,536.1893764639998,GQLQVPZSTWXDBQ,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Valeriana prionophylla,526653.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana prionophylla'],6,2,7.0 72013,2834,345,Shikimates and Phenylpropanoids,Lignans,Naphthalenes and derivatives,0.0,MS1_match,KPZWNZOLVDRTMM-YRDWWIAGSA-N,"InChI=1S/C26H32O12/c1-33-18-8-13(3-5-16(18)28)23-26(32)11-36-22(15(26)10-35-23)12-4-6-17(19(7-12)34-2)37-25-14(9-27)20(29)21(30)24(31)38-25/h3-8,14-15,20-25,27-32H,9-11H2,1-2H3/t14-,15-,20-,21+,22-,23-,24+,25+,26-/m1/s1",COc1cc([C@H]2OC[C@@H]3[C@@H](c4ccc(O[C@H]5O[C@H](O)[C@@H](O)[C@H](O)[C@H]5CO)c(OC)c4)OC[C@]23O)ccc1O,C26H32O12,pos_1_1proton1ammonium,536.189376464,KPZWNZOLVDRTMM,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Valeriana prionophylla,526653.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana prionophylla'],6,2,7.0 72006,2832,-1,,,,0.0,MS1_match,XLZRRNWHQQRALT-PEVLUNPASA-N,"InChI=1S/C21H24O10/c1-9-4-12(23)16-13(24)5-14-11(20(16)30-9)3-2-10(7-28-14)8-29-21-19(27)18(26)17(25)15(6-22)31-21/h2,4-5,15,17-19,21-22,24-27H,3,6-8H2,1H3/t15-,17-,18+,19-,21-/m1/s1",Cc1cc(=O)c2c(O)cc3c(c2o1)CC=C(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CO3,C21H24O10,pos_1_1proton2acetonitrile,436.136946968,XLZRRNWHQQRALT,Polyketides,Chromanes,Chromones,Eranthis hyemalis,756503.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Eranthis'],['Eranthis hyemalis'],6,0,6.0 71984,2829,-1,,,,0.0,MS1_match,NDUIFQPPDDOKRN-UHFFFAOYSA-N,"InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8H,4-6H2,1-3H3",CC1=C2CC(CC1)C2(C)C,C10H16,pos_1_1proton,136.125200512,NDUIFQPPDDOKRN,Terpenoids,Monoterpenoids,Pinane monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 71985,2829,-1,,,,0.0,MS1_match,VYBREYKSZAROCT-UHFFFAOYSA-N,"InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5H,1-2,4,6-8H2,3H3",C=CC(=C)CCCC(=C)C,C10H16,pos_1_1proton,136.125200512,VYBREYKSZAROCT,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 71986,2829,-1,,,,0.0,MS1_match,GRWFGVWFFZKLTI-UHFFFAOYSA-N,"InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3",CC1=CCC2CC1C2(C)C,C10H16,pos_1_1proton,136.125200512,GRWFGVWFFZKLTI,Terpenoids,Monoterpenoids,Pinane monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 71980,2821,108,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.20371087,ISDB,FLXYYVTUDYLYMR-GURFDTTISA-N,"InChI=1S/C20H30O13/c21-4-7-3-10(31-19-16(27)13(24)9(23)6-30-19)8-1-2-29-18(12(7)8)33-20-17(28)15(26)14(25)11(5-22)32-20/h1-3,8-28H,4-6H2/t8-,9+,10+,11+,12+,13-,14+,15-,16+,17+,18-,19-,20-/m0/s1",OCC1=C[C@@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C20H30O13,,478.1686410199998,FLXYYVTUDYLYMR,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Verbascum phlomoides,934439.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Scrophulariaceae'],['Scrophularieae'],['Verbascum'],['Verbascum phlomoides'],4,3,6.314843475818634 71981,2821,108,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.20371087,ISDB,FLXYYVTUDYLYMR-GURFDTTISA-N,"InChI=1S/C20H30O13/c21-4-7-3-10(31-19-16(27)13(24)9(23)6-30-19)8-1-2-29-18(12(7)8)33-20-17(28)15(26)14(25)11(5-22)32-20/h1-3,8-28H,4-6H2/t8-,9+,10+,11+,12+,13-,14+,15-,16+,17+,18-,19-,20-/m0/s1",OCC1=C[C@@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C20H30O13,,478.1686410199998,FLXYYVTUDYLYMR,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Verbascum sinuatum,717435.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Scrophulariaceae'],['Scrophularieae'],['Verbascum'],['Verbascum sinuatum'],4,3,6.314843475818634 71975,2820,211,Terpenoids,Phenylpropanoids (C6-C3),Aristolane sesquiterpenoids,0.0,MS1_match,DDSRZDYFCBJOAE-UHFFFAOYSA-N,"InChI=1S/C20H33NO5/c1-3-21-8-18(2)13-6-10-14-11(4-5-19(26,9-22)17(14)25)20(13,15(10)21)7-12(23)16(18)24/h10-17,22-26H,3-9H2,1-2H3",CCN1CC2(C)C(O)C(O)CC34C5CCC(O)(CO)C(O)C5C(CC23)C14,C20H33NO5,pos_1_1proton1methanol,367.235873156,DDSRZDYFCBJOAE,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium macrocentrum,259368.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium macrocentrum'],6,0,6.0 71973,2814,-1,,,,0.0,MS1_match,RDOIACMZJPLQIZ-UHFFFAOYSA-N,"InChI=1S/C29H44O4/c1-16-9-12-29(25(32)33)14-13-27(5)20(23(29)17(16)2)7-8-22-26(4)15-21(30)24(31)18(3)19(26)10-11-28(22,27)6/h7,16-17,19,21-24,30-31H,3,8-15H2,1-2,4-6H3,(H,32,33)",C=C1C(O)C(O)CC2(C)C1CCC1(C)C2CC=C2C3C(C)C(C)CCC3(C(=O)O)CCC21C,C29H44O4,pos_1_1proton1acetonitrile,456.323959888,RDOIACMZJPLQIZ,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Weigela subsessilis,82213.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Weigela'],['Weigela subsessilis'],6,0,6.0 71974,2814,-1,,,,0.0,MS1_match,RDOIACMZJPLQIZ-UHFFFAOYSA-N,"InChI=1S/C29H44O4/c1-16-9-12-29(25(32)33)14-13-27(5)20(23(29)17(16)2)7-8-22-26(4)15-21(30)24(31)18(3)19(26)10-11-28(22,27)6/h7,16-17,19,21-24,30-31H,3,8-15H2,1-2,4-6H3,(H,32,33)",C=C1C(O)C(O)CC2(C)C1CCC1(C)C2CC=C2C3C(C)C(C)CCC3(C(=O)O)CCC21C,C29H44O4,pos_1_1proton1acetonitrile,456.323959888,RDOIACMZJPLQIZ,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Weigela subsessilis,82213.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Weigela'],['Weigela subsessilis'],6,0,6.0 71940,2806,-1,,,,0.6872113,ISDB,RPVXENZJFAXSJY-GOEBONIOSA-N,"InChI=1S/C16H24O/c1-15(2)7-4-8-16(3)10-11-5-6-13(17)12(11)9-14(15)16/h14H,4-10H2,1-3H3/t14-,16+/m0/s1",CC1(C)CCC[C@]2(C)CC3=C(C[C@@H]12)C(=O)CC3,C16H24O,,232.182715388,RPVXENZJFAXSJY,Terpenoids,Sesquiterpenoids,Drimane sesquiterpenoids,Wurfbainia villosa,477379.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Wurfbainia'],['Wurfbainia villosa'],4,0,6.748845100402832 71938,2805,59,Terpenoids,Triterpenoids,Terpenoid alkaloids,0.30748734,ISDB,,,,,,,DJPVXOYGQKTRPA,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.2299493551254272 71912,2803,80,Terpenoids,Tryptophan alkaloids,Carbazole alkaloids,0.2489435,ISDB,FDHFJXKRMIVNCQ-CQBRDPJOSA-N,"InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,58,61H,1,14-25,27H2,2-12H3/b34-26+,44-28?,46-29?,47-30?,52-50?/t32-,33-,37-,41-,51+/m0/s1",C=CC1=C(C)C2=NC1=CC1=NC(=CC3=C(C)C4=C(O)[C@H](C(=O)OC)C(=C5NC(=C2)[C@@H](C)[C@@H]5CCC(=O)OC/C=C(\C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)C4=N3)C(CC)=C1C,C55H74N4O5,,870.565921468,FDHFJXKRMIVNCQ,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Berberis trifoliolata,840498.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Berberidaceae'],['Unknown'],['Berberis'],['Berberis trifoliolata'],5,1,6.49577397108078 71913,2803,80,Terpenoids,Tryptophan alkaloids,Carbazole alkaloids,0.2489435,ISDB,FDHFJXKRMIVNCQ-CQBRDPJOSA-N,"InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,58,61H,1,14-25,27H2,2-12H3/b34-26+,44-28?,46-29?,47-30?,52-50?/t32-,33-,37-,41-,51+/m0/s1",C=CC1=C(C)C2=NC1=CC1=NC(=CC3=C(C)C4=C(O)[C@H](C(=O)OC)C(=C5NC(=C2)[C@@H](C)[C@@H]5CCC(=O)OC/C=C(\C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)C4=N3)C(CC)=C1C,C55H74N4O5,,870.565921468,FDHFJXKRMIVNCQ,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Berberis trifoliata,5503578.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Berberidaceae'],['Unknown'],['Berberis'],['Berberis trifolia'],5,1,6.49577397108078 71914,2803,80,Terpenoids,Tryptophan alkaloids,Carbazole alkaloids,0.2489435,ISDB,FDHFJXKRMIVNCQ-CQBRDPJOSA-N,"InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,58,61H,1,14-25,27H2,2-12H3/b34-26+,44-28?,46-29?,47-30?,52-50?/t32-,33-,37-,41-,51+/m0/s1",C=CC1=C(C)C2=NC1=CC1=NC(=CC3=C(C)C4=C(O)[C@H](C(=O)OC)C(=C5NC(=C2)[C@@H](C)[C@@H]5CCC(=O)OC/C=C(\C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)C4=N3)C(CC)=C1C,C55H74N4O5,,870.565921468,FDHFJXKRMIVNCQ,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Berberis fendleri,854435.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Berberidaceae'],['Unknown'],['Berberis'],['Berberis fendleri'],5,1,6.49577397108078 71915,2803,80,Terpenoids,Tryptophan alkaloids,Carbazole alkaloids,0.2489435,ISDB,FDHFJXKRMIVNCQ-OSIZZBRKSA-N,"InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,58,61H,1,14-25,27H2,2-12H3/b34-26+,44-28?,46-29?,47-30?,52-50?/t32-,33-,37+,41+,51-/m1/s1",C=CC1=C(C)C2=NC1=CC1=NC(=CC3=C(C)C4=C(O)[C@H](C(=O)OC)C(=C5NC(=C2)[C@@H](C)[C@@H]5CCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C4=N3)C(CC)=C1C,C55H74N4O5,,870.565921468,FDHFJXKRMIVNCQ,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Alloberberis fremontii,725518.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Berberidaceae'],['Unknown'],['Berberis'],['Berberis fremontii'],5,1,6.49577397108078 71910,2801,58,Polyketides,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,BSOROLZKYXGRJC-LVXXQJFHSA-N,"InChI=1S/C23H34N2O3/c1-4-21-10-16(28-3)23-13-8-12-6-7-22(27,18(13)17(12)20(24)26)14(9-15(21)23)19(23)25(5-2)11-21/h4,12-19,27H,1,5-11H2,2-3H3,(H2,24,26)/t12?,13?,14?,15?,16-,17?,18?,19?,21+,22-,23?/m0/s1",C=C[C@]12C[C@H](OC)C34C5CC6CC[C@](O)(C(CC31)C4N(CC)C2)C5C6C(N)=O,C23H34N2O3,pos_2MH,386.256942948,BSOROLZKYXGRJC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum racemulosum,892121.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum racemulosum'],6,0,6.0 71904,2799,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,IUJAMGNYPWYUPM-UHFFFAOYSA-N,"InChI=1S/C31H64/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-31H2,1-2H3",CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC,C31H64,pos_1_minus1proton2potassium,436.500802048,IUJAMGNYPWYUPM,Fatty acids,Fatty acyls,Hydrocarbons,Symphoricarpos albus,717590.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Symphoricarpos'],['Symphoricarpos albus'],6,1,6.5 71905,2799,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,IUJAMGNYPWYUPM-UHFFFAOYSA-N,"InChI=1S/C31H64/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-31H2,1-2H3",CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC,C31H64,pos_1_minus1proton2potassium,436.500802048,IUJAMGNYPWYUPM,Fatty acids,Fatty acyls,Hydrocarbons,Scabiosa comosa,984352.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Scabiosa'],['Scabiosa comosa'],6,1,6.5 71906,2799,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,IUJAMGNYPWYUPM-UHFFFAOYSA-N,"InChI=1S/C31H64/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-31H2,1-2H3",CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC,C31H64,pos_1_minus1proton2potassium,436.500802048,IUJAMGNYPWYUPM,Fatty acids,Fatty acyls,Hydrocarbons,Morina kokanica,6061456.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Morina'],['Morina kokanica'],6,1,6.5 71902,2794,-1,,,,0.0,MS1_match,CTNPHHZPAJYPFO-QFLJTSPFSA-N,"InChI=1S/C42H64O19/c1-19-35(60-38-34(51)32(49)36(27(16-44)59-38)61-37-33(50)31(48)30(47)26(15-43)58-37)25(54-3)13-29(56-19)57-21-4-9-40(18-45)23-5-8-39(2)22(20-12-28(46)55-17-20)7-11-42(39,53)24(23)6-10-41(40,52)14-21/h12,18-19,21-27,29-38,43-44,47-53H,4-11,13-17H2,1-3H3/t19-,21+,22-,23+,24-,25+,26-,27-,29+,30-,31+,32-,33-,34-,35-,36-,37+,38+,39-,40+,41+,42+/m1/s1",CO[C@H]1C[C@H](O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)O[C@H](C)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O,C42H64O19,pos_2_1proton1potassium,872.404179828,CTNPHHZPAJYPFO,Terpenoids,Steroids,Cardenolides,Adonis mongolica,6130927.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Adonideae'],['Adonis'],['Adonis mongolica'],6,0,6.0 71903,2794,-1,,,,0.0,MS1_match,GILGYKHFZXQALF-FBPIOBPTSA-N,"InChI=1S/C42H64O19/c1-19-36(61-38-35(51)33(49)31(47)27(60-38)17-56-37-34(50)32(48)30(46)26(15-43)59-37)25(54-3)13-29(57-19)58-21-4-9-40(18-44)23-5-8-39(2)22(20-12-28(45)55-16-20)7-11-42(39,53)24(23)6-10-41(40,52)14-21/h12,18-19,21-27,29-38,43,46-53H,4-11,13-17H2,1-3H3/t19-,21+,22-,23+,24-,25+,26-,27-,29+,30-,31-,32+,33+,34-,35-,36-,37-,38+,39-,40+,41+,42+/m1/s1",CO[C@H]1C[C@H](O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)O[C@H](C)[C@H]1O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C42H64O19,pos_2_1proton1potassium,872.4041798280001,GILGYKHFZXQALF,Terpenoids,Steroids,Cardenolides,Adonis mongolica,6130927.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Adonideae'],['Adonis'],['Adonis mongolica'],6,0,6.0 71088,2791,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.7498279,ISDB,RJZWGDPBGWGJNU-MTXIQXFFSA-N,"InChI=1S/C15H22O/c1-10(9-16)8-13-6-4-11(2)14-7-5-12(3)15(13)14/h8-9,11,13-14H,4-7H2,1-3H3/b10-8+/t11-,13+,14-/m1/s1",CC1=C2[C@H](/C=C(\C)C=O)CC[C@@H](C)[C@H]2CC1,C15H22O,,218.167065324,RJZWGDPBGWGJNU,Terpenoids,Sesquiterpenoids,Valerenane sesquiterpenoids,Nardostachys jatamansi,24101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Nardostachys'],['Nardostachys jatamansi'],6,2,9.999311685562134 71089,2791,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.7498279,ISDB,RJZWGDPBGWGJNU-MTXIQXFFSA-N,"InChI=1S/C15H22O/c1-10(9-16)8-13-6-4-11(2)14-7-5-12(3)15(13)14/h8-9,11,13-14H,4-7H2,1-3H3/b10-8+/t11-,13+,14-/m1/s1",CC1=C2[C@H](/C=C(\C)C=O)CC[C@@H](C)[C@H]2CC1,C15H22O,,218.167065324,RJZWGDPBGWGJNU,Terpenoids,Sesquiterpenoids,Valerenane sesquiterpenoids,Valeriana wolgensis,5746446.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana wolgensis'],6,2,9.999311685562134 71090,2791,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.7498279,ISDB,RJZWGDPBGWGJNU-MTXIQXFFSA-N,"InChI=1S/C15H22O/c1-10(9-16)8-13-6-4-11(2)14-7-5-12(3)15(13)14/h8-9,11,13-14H,4-7H2,1-3H3/b10-8+/t11-,13+,14-/m1/s1",CC1=C2[C@H](/C=C(\C)C=O)CC[C@@H](C)[C@H]2CC1,C15H22O,,218.167065324,RJZWGDPBGWGJNU,Terpenoids,Sesquiterpenoids,Valerenane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,2,9.999311685562134 71020,2790,582,Terpenoids,Diterpenoids,Estrane steroids,0.6579981,ISDB,NPAGDVCDWIYMMC-IZPLOLCNSA-N,"InChI=1S/C18H26O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,13-17,20H,2-9H2,1H3/t13-,14+,15+,16-,17-,18-/m0/s1",C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@H]43)[C@@H]1CC[C@@H]2O,C18H26O2,,274.193280072,NPAGDVCDWIYMMC,Terpenoids,Steroids,Estrane steroids,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],4,3,8.13199234008789 71016,2786,94,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.35865673,ISDB,HSLJXOGNOJMDIV-OEISXWRRSA-N,"InChI=1S/C25H42O9/c1-7-25(6,13-9-12-16(2)10-8-11-17(3)14-26)34-24-23(32-19(5)28)22(30)21(29)20(33-24)15-31-18(4)27/h7,12,17,20-24,26,29-30H,1,8-11,13-15H2,2-6H3/b16-12+/t17-,20+,21+,22-,23+,24-,25+/m0/s1",C=C[C@](C)(CC/C=C(\C)CCC[C@H](C)CO)O[C@@H]1O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]1OC(C)=O,C25H42O9,,486.282882924,HSLJXOGNOJMDIV,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Gaillardia aestivalis,388634.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Helenieae'],['Gaillardia'],['Gaillardia aestivalis'],4,0,5.434626936912537 71015,2785,135,Terpenoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.20624495,ISDB,,,,,,,FIRYVNFRBPOEGB,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.8249797821044922 71014,2784,309,Terpenoids,Diterpenoids,Monocyclic monoterpenoids,0.22926466,ISDB,JPYHCVFOUSSVQY-HEHNFIMWSA-N,"InChI=1S/C27H33NO4/c1-20(2)10-15-26(32-22(4)29)21(3)17-19-31-25-13-11-23(12-14-25)16-18-28-27(30)24-8-6-5-7-9-24/h5-14,17,26H,15-16,18-19H2,1-4H3,(H,28,30)/b21-17+",CC(=O)OC(CC=C(C)C)/C(C)=C/COc1ccc(CCNC(=O)c2ccccc2)cc1,C27H33NO4,,435.240958536,JPYHCVFOUSSVQY,,,,Swinglea glutinosa,232711.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Swinglea'],['Swinglea glutinosa'],4,0,4.917058646678925 71012,2782,-1,,,,0.0,MS1_match,ZAGGPLANHIGDAL-LIVJIHFKSA-N,"InChI=1S/C15H19NO10/c1-24-11(20)4-7(2-3-10(18)19)8(5-16)25-15-14(23)13(22)12(21)9(6-17)26-15/h2-3,9,12-15,17,21-23H,4,6H2,1H3,(H,18,19)/b3-2+,8-7+/t9-,12+,13+,14+,15-/m0/s1",COC(=O)CC(/C=C/C(=O)O)=C(\C#N)O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O,C15H19NO10,pos_1_1proton1methanol,373.100895808,ZAGGPLANHIGDAL,,,,Thalictrum aquilegiifolium,815364.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum aquilegiifolium'],6,0,6.0 71013,2782,-1,,,,0.0,MS1_match,ZAGGPLANHIGDAL-LIVJIHFKSA-N,"InChI=1S/C15H19NO10/c1-24-11(20)4-7(2-3-10(18)19)8(5-16)25-15-14(23)13(22)12(21)9(6-17)26-15/h2-3,9,12-15,17,21-23H,4,6H2,1H3,(H,18,19)/b3-2+,8-7+/t9-,12+,13+,14+,15-/m0/s1",COC(=O)CC(/C=C/C(=O)O)=C(\C#N)O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O,C15H19NO10,pos_1_1proton1methanol,373.100895808,ZAGGPLANHIGDAL,,,,Thalictrum aquilegifolium,815364.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum aquilegiifolium'],6,0,6.0 71009,2781,637,Terpenoids,Monoterpenoids,Flavonols,0.22396731,ISDB,IBGZNOPZUVZSEJ-XSVWGIRKSA-N,"InChI=1S/C20H27NO11/c22-6-11-13(23)15(25)17(27)19(31-11)29-7-12-14(24)16(26)18(28)20(32-12)30-10-5-21-9-4-2-1-3-8(9)10/h1-5,11-28H,6-7H2/t11-,12-,13-,14-,15+,16+,17-,18-,19-,20-/m1/s1",OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c[nH]c4ccccc34)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,C20H27NO11,,457.158410684,IBGZNOPZUVZSEJ,,,,Calanthe discolor,809338.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Collabieae'],['Calanthe'],['Calanthe discolor'],4,0,4.895869255065918 70994,2780,201,Terpenoids,Apocarotenoids,Megastigmanes,0.33028385,ISDB,DQQUPMXQGJRNAW-HYPVQEEESA-N,"InChI=1S/C24H38O11/c1-12-7-14(26)8-23(3,4)15(12)6-5-13(2)34-21-19(29)18(28)17(27)16(35-21)9-32-22-20(30)24(31,10-25)11-33-22/h5-7,13,15-22,25,27-31H,8-11H2,1-4H3/b6-5+/t13-,15+,16-,17-,18+,19-,20+,21+,22-,24-/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@@H](C)O[C@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C24H38O11,,502.241412036,DQQUPMXQGJRNAW,Terpenoids,Apocarotenoids,Megastigmanes,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],4,3,6.821135401725769 70995,2780,201,Terpenoids,Apocarotenoids,Megastigmanes,0.33028385,ISDB,DQQUPMXQGJRNAW-HYPVQEEESA-N,"InChI=1S/C24H38O11/c1-12-7-14(26)8-23(3,4)15(12)6-5-13(2)34-21-19(29)18(28)17(27)16(35-21)9-32-22-20(30)24(31,10-25)11-33-22/h5-7,13,15-22,25,27-31H,8-11H2,1-4H3/b6-5+/t13-,15+,16-,17-,18+,19-,20+,21+,22-,24-/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@@H](C)O[C@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C24H38O11,,502.241412036,DQQUPMXQGJRNAW,Terpenoids,Apocarotenoids,Megastigmanes,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],4,3,6.821135401725769 70996,2780,201,Terpenoids,Apocarotenoids,Megastigmanes,0.33028385,ISDB,DQQUPMXQGJRNAW-LCIZJANLSA-N,"InChI=1S/C24H38O11/c1-12-7-14(26)8-23(3,4)15(12)6-5-13(2)34-21-19(29)18(28)17(27)16(35-21)9-32-22-20(30)24(31,10-25)11-33-22/h5-7,13,15-22,25,27-31H,8-11H2,1-4H3/b6-5+/t13-,15+,16-,17-,18+,19-,20+,21-,22-,24-/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@@H](C)O[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C24H38O11,,502.241412036,DQQUPMXQGJRNAW,Terpenoids,Apocarotenoids,Megastigmanes,Alangium premnifolium,6045450.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Alangium'],['Alangium premnifolium'],4,3,6.821135401725769 70985,2779,345,Shikimates and Phenylpropanoids,Lignans,Naphthalenes and derivatives,0.0,MS1_match,IPRPPFIAVHPVJH-UHFFFAOYSA-N,"InChI=1S/C8H8O2/c9-6-5-7-1-3-8(10)4-2-7/h1-4,6,10H,5H2",O=CCc1ccc(O)cc1,C8H8O2,pos_1_1proton2acetonitrile,136.052429496,IPRPPFIAVHPVJH,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis parviloba,5737758.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis parviloba'],8,1,8.5 70984,2777,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.22571246,ISDB,,,,,,,AZJMADMFGOSPKW,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.9028498530387878 70982,2776,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.22807305,ISDB,,,,,,,AZJMADMFGOSPKW,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.9122921824455261 70981,2772,-1,,,,0.2074639,ISDB,KMBKVLDJXQMMRB-JXJOLMDKSA-N,"InChI=1S/C12H20O5/c1-8(13)4-5-12(17)10(2,15)6-9(14)7-11(12,3)16/h4-5,9,14-17H,6-7H2,1-3H3/b5-4+/t9-,10-,11?,12-/m1/s1",CC(=O)/C=C/[C@]1(O)C(C)(O)C[C@H](O)C[C@@]1(C)O,C12H20O5,,244.13107374,KMBKVLDJXQMMRB,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Epimedium grandiflorum var. koreanum,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.8298556208610535 70949,2769,-1,,,,0.30135122,ISDB,ACQJQRDRWQGINF-VWKKOVPFSA-N,"InChI=1S/C30H52O5/c1-22(14-11-15-23(2)16-17-26(32)28(4,5)33)12-9-10-13-24(3)20-25(31)21-30(8)19-18-27(35-30)29(6,7)34/h12,15,20,26-27,32-34H,9-11,13-14,16-19,21H2,1-8H3/b22-12?,23-15+,24-20+/t26?,27-,30+/m0/s1",CC(=CCCC/C(C)=C/C(=O)C[C@@]1(C)CC[C@@H](C(C)(C)O)O1)CC/C=C(\C)CCC(O)C(C)(C)O,C30H52O5,,492.381474764,ACQJQRDRWQGINF,Terpenoids,Triterpenoids,Acyclic triterpenoids,Silphium laciniatum,464944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Silphium'],['Silphium laciniatum'],4,0,5.205404877662659 70948,2767,341,Terpenoids,Monoterpenoids,Cycloartane triterpenoids,0.23780347,ISDB,,,,,,,BMENORHYYZFIIG,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.9512138962745667 70946,2766,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,DJCYVGGVILUPNY-CNSIFVFBSA-N,"InChI=1S/C15H22O5/c1-7(2)15-10(17)6-14(4,19-20-15)12-9(16)5-8(3)11(12)13(15)18/h7-8,10,13,17-18H,5-6H2,1-4H3/t8-,10-,13+,14+,15+/m1/s1",CC(C)[C@]12OO[C@@](C)(C[C@H]1O)C1=C([C@H](C)CC1=O)[C@@H]2O,C15H22O5,pos_1_1proton1ammonium,282.146723804,DJCYVGGVILUPNY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Nardostachys jatamansi,24101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Nardostachys'],['Nardostachys jatamansi'],6,0,6.0 70947,2766,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,DJCYVGGVILUPNY-MTVVJKOXSA-N,"InChI=1S/C15H22O5/c1-7(2)15-10(17)6-14(4,19-20-15)12-9(16)5-8(3)11(12)13(15)18/h7-8,10,13,17-18H,5-6H2,1-4H3/t8-,10+,13-,14-,15+/m1/s1",CC(C)[C@]12OO[C@](C)(C[C@@H]1O)C1=C([C@H](C)CC1=O)[C@H]2O,C15H22O5,pos_1_1proton1ammonium,282.146723804,DJCYVGGVILUPNY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,0,6.0 70899,2763,-1,,,,0.0,MS1_match,GUZAIURHRDPBKE-HIEJAJBWSA-N,"InChI=1S/C30H46O3/c1-17(2)18-9-12-22-29(18,7)25(33)16-28(6)19-10-11-21-26(3,4)23(31)13-14-27(21,5)20(19)15-24(32)30(22,28)8/h10,15,17-18,21-23,25,31,33H,9,11-14,16H2,1-8H3/t18-,21+,22-,23-,25-,27-,28-,29-,30-/m1/s1",CC(C)[C@H]1CC[C@@H]2[C@]1(C)[C@H](O)C[C@]1(C)C3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)C3=CC(=O)[C@@]21C,C30H46O3,pos_1_sodium,454.344695332,GUZAIURHRDPBKE,Terpenoids,Triterpenoids,Fernane and Arborinane triterpenoids,Lonicera gracilipes,920854.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera gracilipes'],7,0,7.0 70900,2763,-1,,,,0.0,MS1_match,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,pos_1_sodium,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Euonymus revolutus,6092646.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus revolutus'],7,0,7.0 70901,2763,-1,,,,0.0,MS1_match,HHQJBWYXBWOFJY-UHFFFAOYSA-N,"InChI=1S/C30H46O3/c1-25(2)20-10-13-30(7)21(28(20,5)12-11-22(25)31)9-8-18-19-16-26(3)17-23(33-24(26)32)27(19,4)14-15-29(18,30)6/h8,19-23,31H,9-17H2,1-7H3",CC12CC(OC1=O)C1(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C1C2,C30H46O3,pos_1_sodium,454.344695332,HHQJBWYXBWOFJY,Terpenoids,Triterpenoids,Oleanane triterpenoids,Euonymus laxiflorus,310705.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus laxiflorus'],7,0,7.0 70902,2763,-1,,,,0.0,MS1_match,HHQJBWYXBWOFJY-YLXTXNMFSA-N,"InChI=1S/C30H46O3/c1-25(2)20-10-13-30(7)21(28(20,5)12-11-22(25)31)9-8-18-19-16-26(3)17-23(33-24(26)32)27(19,4)14-15-29(18,30)6/h8,19-23,31H,9-17H2,1-7H3/t19-,20-,21+,22-,23-,26-,27+,28-,29+,30+/m0/s1",CC1(C)[C@@H](O)CC[C@]2(C)[C@H]3CC=C4[C@@H]5C[C@@]6(C)C[C@H](OC6=O)[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12,C30H46O3,pos_1_sodium,454.3446953319999,HHQJBWYXBWOFJY,Terpenoids,Triterpenoids,Oleanane triterpenoids,Euonymus alatus,601141.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus alatus'],7,0,7.0 70903,2763,-1,,,,0.0,MS1_match,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,pos_1_sodium,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Euonymus revolutus,6092646.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus revolutus'],7,0,7.0 70904,2763,-1,,,,0.0,MS1_match,HHQJBWYXBWOFJY-UHFFFAOYSA-N,"InChI=1S/C30H46O3/c1-25(2)20-10-13-30(7)21(28(20,5)12-11-22(25)31)9-8-18-19-16-26(3)17-23(33-24(26)32)27(19,4)14-15-29(18,30)6/h8,19-23,31H,9-17H2,1-7H3",CC12CC(OC1=O)C1(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C1C2,C30H46O3,pos_1_sodium,454.344695332,HHQJBWYXBWOFJY,Terpenoids,Triterpenoids,Oleanane triterpenoids,Euonymus laxiflorus,310705.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus laxiflorus'],7,0,7.0 70905,2763,-1,,,,0.0,MS1_match,HHQJBWYXBWOFJY-YLXTXNMFSA-N,"InChI=1S/C30H46O3/c1-25(2)20-10-13-30(7)21(28(20,5)12-11-22(25)31)9-8-18-19-16-26(3)17-23(33-24(26)32)27(19,4)14-15-29(18,30)6/h8,19-23,31H,9-17H2,1-7H3/t19-,20-,21+,22-,23-,26-,27+,28-,29+,30+/m0/s1",CC1(C)[C@@H](O)CC[C@]2(C)[C@H]3CC=C4[C@@H]5C[C@@]6(C)C[C@H](OC6=O)[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12,C30H46O3,pos_1_sodium,454.3446953319999,HHQJBWYXBWOFJY,Terpenoids,Triterpenoids,Oleanane triterpenoids,Euonymus alatus,601141.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus alatus'],7,0,7.0 70898,2762,-1,,,,0.6645255,ISDB,,,,,,,YYYZPJRIBDBWJH,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.658102035522461 70852,2752,186,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.42150357,ISDB,AQQFWSYLUDMDBP-ODEMIOGVSA-N,"InChI=1S/C28H32O16/c1-40-14-4-9(2-3-10(14)31)13-5-11(32)18-15(41-13)6-12(33)19(22(18)36)26-27(24(38)21(35)16(7-29)42-26)44-28-25(39)23(37)20(34)17(8-30)43-28/h2-6,16-17,20-21,23-31,33-39H,7-8H2,1H3/t16-,17-,20-,21-,23+,24+,25-,26+,27-,28+/m1/s1",COc1cc(-c2cc(=O)c3c(O)c([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(O)cc3o2)ccc1O,C28H32O16,,624.169034944,AQQFWSYLUDMDBP,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Alliaria petiolata,440662.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Thlaspideae'],['Alliaria'],['Alliaria petiolata'],4,3,7.186014294624329 70853,2752,186,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.42150357,ISDB,AQQFWSYLUDMDBP-ODEMIOGVSA-N,"InChI=1S/C28H32O16/c1-40-14-4-9(2-3-10(14)31)13-5-11(32)18-15(41-13)6-12(33)19(22(18)36)26-27(24(38)21(35)16(7-29)42-26)44-28-25(39)23(37)20(34)17(8-30)43-28/h2-6,16-17,20-21,23-31,33-39H,7-8H2,1H3/t16-,17-,20-,21-,23+,24+,25-,26+,27-,28+/m1/s1",COc1cc(-c2cc(=O)c3c(O)c([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(O)cc3o2)ccc1O,C28H32O16,,624.169034944,AQQFWSYLUDMDBP,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Oryza sativa,709894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza sativa'],4,3,7.186014294624329 70854,2752,186,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.42150357,ISDB,AQQFWSYLUDMDBP-CDOVLSISSA-N,"InChI=1S/C28H32O16/c1-40-14-4-9(2-3-10(14)31)13-5-11(32)18-15(41-13)6-12(33)19(22(18)36)26-27(24(38)21(35)16(7-29)42-26)44-28-25(39)23(37)20(34)17(8-30)43-28/h2-6,16-17,20-21,23-31,33-39H,7-8H2,1H3/t16-,17-,20-,21-,23+,24+,25-,26+,27-,28-/m1/s1",COc1cc(-c2cc(=O)c3c(O)c([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(O)cc3o2)ccc1O,C28H32O16,,624.169034944,AQQFWSYLUDMDBP,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Passiflora incarnata,415784.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Passifloraceae'],['Unknown'],['Passiflora'],['Passiflora incarnata'],4,3,7.186014294624329 70759,2751,-1,,,,0.6431708,ISDB,QSOURIMNVDBNHL-HJJINUIOSA-N,"InChI=1S/C15H22O9/c1-4-3-21-14(7-6(4)9(18)13-12(7)23-13)24-15-11(20)10(19)8(17)5(2-16)22-15/h3,5-20H,2H2,1H3/t5-,6-,7+,8-,9+,10+,11-,12-,13+,14+,15+/m1/s1",CC1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H]3O[C@H]3[C@@H](O)[C@H]12,C15H22O9,,346.126382284,QSOURIMNVDBNHL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Deutzia schneideriana,5740083.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Hydrangeaceae'],['Unknown'],['Deutzia'],['Deutzia schneideriana'],4,0,6.572683095932007 70760,2751,-1,,,,0.6431708,ISDB,QSOURIMNVDBNHL-HJJINUIOSA-N,"InChI=1S/C15H22O9/c1-4-3-21-14(7-6(4)9(18)13-12(7)23-13)24-15-11(20)10(19)8(17)5(2-16)22-15/h3,5-20H,2H2,1H3/t5-,6-,7+,8-,9+,10+,11-,12-,13+,14+,15+/m1/s1",CC1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H]3O[C@H]3[C@@H](O)[C@H]12,C15H22O9,,346.126382284,QSOURIMNVDBNHL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Deutzia crenata,5740063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Hydrangeaceae'],['Unknown'],['Deutzia'],['Deutzia crenata'],4,0,6.572683095932007 70761,2751,-1,,,,0.6431708,ISDB,QSOURIMNVDBNHL-HJJINUIOSA-N,"InChI=1S/C15H22O9/c1-4-3-21-14(7-6(4)9(18)13-12(7)23-13)24-15-11(20)10(19)8(17)5(2-16)22-15/h3,5-20H,2H2,1H3/t5-,6-,7+,8-,9+,10+,11-,12-,13+,14+,15+/m1/s1",CC1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H]3O[C@H]3[C@@H](O)[C@H]12,C15H22O9,,346.126382284,QSOURIMNVDBNHL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Deutzia scabra,282338.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Hydrangeaceae'],['Unknown'],['Deutzia'],['Deutzia scabra'],4,0,6.572683095932007 70752,2750,-1,,,,0.0,MS1_match,ZFOZVQLOBQUTQQ-UHFFFAOYSA-N,"InChI=1S/C18H32O7/c1-4-7-10-23-15(19)13-18(22,17(21)25-12-9-6-3)14-16(20)24-11-8-5-2/h22H,4-14H2,1-3H3",CCCCOC(=O)CC(O)(CC(=O)OCCCC)C(=O)OCCCC,C18H32O7,pos_1_1proton1methanol,360.214803364,ZFOZVQLOBQUTQQ,Fatty acids,Fatty esters,Wax monoesters,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],7,0,7.0 70750,2749,280,Alkaloids,Monoterpenoids,Terpenoid alkaloids,0.61882484,ISDB,,,,,,,JFQHGWIDLBBFDM,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.47529935836792 70748,2748,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.8391845,ISDB,BVJSKAUUFXBDOB-UHFFFAOYSA-N,"InChI=1S/C22H45O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(26)29-17-21(25)19-31-32(27,28)30-18-20(24)16-23/h20-21,23-25H,2-19H2,1H3,(H,27,28)",CCCCCCCCCCCCCCCC(=O)OCC(O)COP(=O)(O)OCC(O)CO,C22H45O9P,,484.2801196499999,BVJSKAUUFXBDOB,Fatty acids,Glycerophospholipids,Glycerophosphoglycerols,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],4,1,7.856738090515137 70742,2744,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.26971313,ISDB,JOQZJJZBJBXADU-CAMKMCDZSA-N,"InChI=1S/C26H50O8/c1-2-3-4-5-6-7-8-9-10-13-16-20(17-14-11-12-15-18-22(28)29)33-26-25(32)24(31)23(30)21(19-27)34-26/h20-21,23-27,30-32H,2-19H2,1H3,(H,28,29)/t20-,21+,23+,24-,25+,26+/m0/s1",CCCCCCCCCCCC[C@@H](CCCCCCC(=O)O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C26H50O8,,490.35056856,JOQZJJZBJBXADU,Fatty acids,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,Proboscidea louisianica,541942.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Martyniaceae'],['Unknown'],['Proboscidea'],['Proboscidea louisiana'],4,1,5.578852534294128 70743,2744,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.26971313,ISDB,JOQZJJZBJBXADU-CAMKMCDZSA-N,"InChI=1S/C26H50O8/c1-2-3-4-5-6-7-8-9-10-13-16-20(17-14-11-12-15-18-22(28)29)33-26-25(32)24(31)23(30)21(19-27)34-26/h20-21,23-27,30-32H,2-19H2,1H3,(H,28,29)/t20-,21+,23+,24-,25+,26+/m0/s1",CCCCCCCCCCCC[C@@H](CCCCCCC(=O)O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C26H50O8,,490.35056856,JOQZJJZBJBXADU,Fatty acids,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,Proboscidea louisiana,541942.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Martyniaceae'],['Unknown'],['Proboscidea'],['Proboscidea louisiana'],4,1,5.578852534294128 70740,2743,-1,,,,0.0,MS1_match,WKHHFWJJIRCXHA-INIZCTEOSA-N,"InChI=1S/C22H28NO4/c1-23(2)8-7-13-10-19(26-5)22(27-6)21-15-12-18(25-4)17(24-3)11-14(15)9-16(23)20(13)21/h10-12,16H,7-9H2,1-6H3/q+1/t16-/m0/s1",COc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)[N+](C)(C)CC3,C22H28NO4+,pos_1_minus1proton2sodium,370.20128479609,WKHHFWJJIRCXHA,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Isopyrum thalictroides,949657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Isopyrum'],['Isopyrum thalictroides'],6,0,6.0 70741,2743,-1,,,,0.0,MS1_match,WKHHFWJJIRCXHA-INIZCTEOSA-N,"InChI=1S/C22H28NO4/c1-23(2)8-7-13-10-19(26-5)22(27-6)21-15-12-18(25-4)17(24-3)11-14(15)9-16(23)20(13)21/h10-12,16H,7-9H2,1-6H3/q+1/t16-/m0/s1",COc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)[N+](C)(C)CC3,C22H28NO4+,pos_1_minus1proton2sodium,370.20128479609,WKHHFWJJIRCXHA,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Isopyrum thalictroides,949657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Isopyrum'],['Isopyrum thalictroides'],6,0,6.0 70694,2730,-1,,,,0.0,MS1_match,YYXXGJKFOHXSML-QEJZJMRPSA-N,"InChI=1S/C15H20O2/c1-13(2)12-8-7-11(16)10-6-5-9-14(3,17-13)15(10,12)4/h6-8,12H,5,9H2,1-4H3/t12-,14-,15-/m0/s1",CC1(C)O[C@@]2(C)CCC=C3C(=O)C=C[C@@H]1[C@]32C,C15H20O2,pos_1_1proton1methanol,232.14632988,YYXXGJKFOHXSML,Terpenoids,Sesquiterpenoids,Nardosinane sesquiterpenoids,Nardostachys jatamansi,24101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Nardostachys'],['Nardostachys jatamansi'],6,0,6.0 70616,2728,601,Terpenoids,Steroids,Polyprenylated cyclic polyketides (Hop meroterpenoids),0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Clematis montana,970477.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis montana'],8,2,9.0 70617,2728,601,Terpenoids,Steroids,Polyprenylated cyclic polyketides (Hop meroterpenoids),0.0,MS1_match,NPJICTMALKLTFW-UHFFFAOYSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3",CCC(CCC(C)C1CCC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Clematis delavayi,72769.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis delavayi'],8,2,9.0 70618,2728,601,Terpenoids,Steroids,Polyprenylated cyclic polyketides (Hop meroterpenoids),0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Clematis montana,970477.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis montana'],8,2,9.0 70619,2728,601,Terpenoids,Steroids,Polyprenylated cyclic polyketides (Hop meroterpenoids),0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Clematis montana,970477.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis montana'],8,2,9.0 70620,2728,601,Terpenoids,Steroids,Polyprenylated cyclic polyketides (Hop meroterpenoids),0.0,MS1_match,NPJICTMALKLTFW-UHFFFAOYSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3",CCC(CCC(C)C1CCC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Clematis delavayi,72769.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis delavayi'],8,2,9.0 70621,2728,601,Terpenoids,Steroids,Polyprenylated cyclic polyketides (Hop meroterpenoids),0.0,MS1_match,NPJICTMALKLTFW-UHFFFAOYSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3",CCC(CCC(C)C1CCC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Clematis delavayi,72769.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis delavayi'],8,2,9.0 70606,2727,11,Alkaloids,Monoterpenoids,Iridoids monoterpenoids,0.24628887,ISDB,LHKZIVMTXZLOTP-RMKGEEGASA-N,"InChI=1S/C28H34N2O11/c1-3-12-14(8-18-21-15(9-19(29-18)25(35)36)13-6-4-5-7-17(13)30-21)16(26(37)38-2)11-39-27(12)41-28-24(34)23(33)22(32)20(10-31)40-28/h3-7,11-12,14,18-20,22-24,27-34H,1,8-10H2,2H3,(H,35,36)/t12-,14+,18+,19+,20-,22-,23+,24-,27+,28+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1C[C@@H]1N[C@H](C(=O)O)Cc2c1[nH]c1ccccc21,C28H34N2O11,,574.2162599079999,LHKZIVMTXZLOTP,Alkaloids,Tryptophan alkaloids,Carboline alkaloids,Sinoadina racemosa,1089075.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Naucleeae'],['Sinoadina'],['Sinoadina racemosa'],4,1,5.485155463218689 70607,2727,11,Alkaloids,Monoterpenoids,Iridoids monoterpenoids,0.24628887,ISDB,LHKZIVMTXZLOTP-LQDMBTRHSA-N,"InChI=1S/C28H34N2O11/c1-3-12-14(8-18-21-15(9-19(29-18)25(35)36)13-6-4-5-7-17(13)30-21)16(26(37)38-2)11-39-27(12)41-28-24(34)23(33)22(32)20(10-31)40-28/h3-7,11-12,14,18-20,22-24,27-34H,1,8-10H2,2H3,(H,35,36)/t12-,14-,18-,19-,20+,22+,23-,24+,27-,28-/m0/s1",C=C[C@@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1C[C@@H]1N[C@H](C(=O)O)Cc2c1[nH]c1ccccc21,C28H34N2O11,,574.216259908,LHKZIVMTXZLOTP,Alkaloids,Tryptophan alkaloids,Carboline alkaloids,Uncaria tomentosa,204985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Naucleeae'],['Uncaria'],['Uncaria tomentosa'],4,1,5.485155463218689 70608,2727,11,Alkaloids,Monoterpenoids,Iridoids monoterpenoids,0.24628887,ISDB,LHKZIVMTXZLOTP-BZAIPKEHSA-N,"InChI=1S/C28H34N2O11/c1-3-12-14(8-18-21-15(9-19(29-18)25(35)36)13-6-4-5-7-17(13)30-21)16(26(37)38-2)11-39-27(12)41-28-24(34)23(33)22(32)20(10-31)40-28/h3-7,11-12,14,18-20,22-24,27-34H,1,8-10H2,2H3,(H,35,36)/t12-,14-,18-,19+,20-,22-,23+,24-,27+,28+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@@H]1C[C@H]1N[C@H](C(=O)O)Cc2c1[nH]c1ccccc21,C28H34N2O11,,574.216259908,LHKZIVMTXZLOTP,Alkaloids,Tryptophan alkaloids,Carboline alkaloids,Psychotria bahiensis,180165.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Psychotrieae'],['Psychotria'],['Psychotria bahiensis'],4,1,5.485155463218689 70609,2727,11,Alkaloids,Monoterpenoids,Iridoids monoterpenoids,0.24628887,ISDB,LHKZIVMTXZLOTP-UHFFFAOYSA-N,"InChI=1S/C28H34N2O11/c1-3-12-14(8-18-21-15(9-19(29-18)25(35)36)13-6-4-5-7-17(13)30-21)16(26(37)38-2)11-39-27(12)41-28-24(34)23(33)22(32)20(10-31)40-28/h3-7,11-12,14,18-20,22-24,27-34H,1,8-10H2,2H3,(H,35,36)",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC1NC(C(=O)O)Cc2c1[nH]c1ccccc21,C28H34N2O11,,574.216259908,LHKZIVMTXZLOTP,Alkaloids,Tryptophan alkaloids,Carboline alkaloids,Simira tinctoria,658663.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Condamineeae'],['Simira'],['Simira tinctoria'],4,1,5.485155463218689 70610,2727,11,Alkaloids,Monoterpenoids,Iridoids monoterpenoids,0.24628887,ISDB,LHKZIVMTXZLOTP-AZAOCEFRSA-N,"InChI=1S/C28H34N2O11/c1-3-12-14(8-18-21-15(9-19(29-18)25(35)36)13-6-4-5-7-17(13)30-21)16(26(37)38-2)11-39-27(12)41-28-24(34)23(33)22(32)20(10-31)40-28/h3-7,11-12,14,18-20,22-24,27-34H,1,8-10H2,2H3,(H,35,36)/t12-,14+,18+,19+,20+,22+,23-,24+,27+,28-/m1/s1",C=C[C@H]1[C@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)OC=C(C(=O)OC)[C@H]1C[C@@H]1N[C@H](C(=O)O)Cc2c1[nH]c1ccccc21,C28H34N2O11,,574.2162599079999,LHKZIVMTXZLOTP,Alkaloids,Tryptophan alkaloids,Carboline alkaloids,Simira rubescens,389648.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Condamineeae'],['Simira'],['Simira rubescens'],4,1,5.485155463218689 70611,2727,11,Alkaloids,Monoterpenoids,Iridoids monoterpenoids,0.24628887,ISDB,LHKZIVMTXZLOTP-BUZHDDSHSA-N,"InChI=1S/C28H34N2O11/c1-3-12-14(8-18-21-15(9-19(29-18)25(35)36)13-6-4-5-7-17(13)30-21)16(26(37)38-2)11-39-27(12)41-28-24(34)23(33)22(32)20(10-31)40-28/h3-7,11-12,14,18-20,22-24,27-34H,1,8-10H2,2H3,(H,35,36)/t12-,14+,18+,19-,20+,22+,23-,24+,27+,28-/m1/s1",C=C[C@H]1[C@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)OC=C(C(=O)OC)[C@H]1C[C@@H]1N[C@@H](C(=O)O)Cc2c1[nH]c1ccccc21,C28H34N2O11,,574.216259908,LHKZIVMTXZLOTP,Alkaloids,Tryptophan alkaloids,Carboline alkaloids,Chimarrhis turbinata,327026.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Condamineeae'],['Chimarrhis'],['Chimarrhis turbinata'],4,1,5.485155463218689 70612,2727,11,Alkaloids,Monoterpenoids,Iridoids monoterpenoids,0.24628887,ISDB,LHKZIVMTXZLOTP-AZAOCEFRSA-N,"InChI=1S/C28H34N2O11/c1-3-12-14(8-18-21-15(9-19(29-18)25(35)36)13-6-4-5-7-17(13)30-21)16(26(37)38-2)11-39-27(12)41-28-24(34)23(33)22(32)20(10-31)40-28/h3-7,11-12,14,18-20,22-24,27-34H,1,8-10H2,2H3,(H,35,36)/t12-,14+,18+,19+,20+,22+,23-,24+,27+,28-/m1/s1",C=C[C@H]1[C@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)OC=C(C(=O)OC)[C@H]1C[C@@H]1N[C@H](C(=O)O)Cc2c1[nH]c1ccccc21,C28H34N2O11,,574.2162599079999,LHKZIVMTXZLOTP,Alkaloids,Tryptophan alkaloids,Carboline alkaloids,Stenostomum acreanum,155313.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Guettardeae'],['Stenostomum'],['Stenostomum acreanum'],4,1,5.485155463218689 70613,2727,11,Alkaloids,Monoterpenoids,Iridoids monoterpenoids,0.24628887,ISDB,LHKZIVMTXZLOTP-UHFFFAOYSA-N,"InChI=1S/C28H34N2O11/c1-3-12-14(8-18-21-15(9-19(29-18)25(35)36)13-6-4-5-7-17(13)30-21)16(26(37)38-2)11-39-27(12)41-28-24(34)23(33)22(32)20(10-31)40-28/h3-7,11-12,14,18-20,22-24,27-34H,1,8-10H2,2H3,(H,35,36)",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC1NC(C(=O)O)Cc2c1[nH]c1ccccc21,C28H34N2O11,,574.216259908,LHKZIVMTXZLOTP,Alkaloids,Tryptophan alkaloids,Carboline alkaloids,Rhazya stricta,618442.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Amsonieae'],['Rhazya'],['Rhazya stricta'],4,1,5.485155463218689 70614,2727,11,Alkaloids,Monoterpenoids,Iridoids monoterpenoids,0.24628887,ISDB,LHKZIVMTXZLOTP-BZAIPKEHSA-N,"InChI=1S/C28H34N2O11/c1-3-12-14(8-18-21-15(9-19(29-18)25(35)36)13-6-4-5-7-17(13)30-21)16(26(37)38-2)11-39-27(12)41-28-24(34)23(33)22(32)20(10-31)40-28/h3-7,11-12,14,18-20,22-24,27-34H,1,8-10H2,2H3,(H,35,36)/t12-,14-,18-,19+,20-,22-,23+,24-,27+,28+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@@H]1C[C@H]1N[C@H](C(=O)O)Cc2c1[nH]c1ccccc21,C28H34N2O11,,574.216259908,LHKZIVMTXZLOTP,Alkaloids,Tryptophan alkaloids,Carboline alkaloids,Amsonia orientalis,15769.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Amsonieae'],['Amsonia'],['Amsonia orientalis'],4,1,5.485155463218689 70597,2726,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.800123,ISDB,TZEMRDVCZWVBHT-UTTQFQDJSA-N,"InChI=1S/C24H24O12/c25-14-5-1-12(9-16(14)27)3-7-19(29)34-11-18-21(31)22(32)23(33)24(35-18)36-20(30)8-4-13-2-6-15(26)17(28)10-13/h1-10,18,21-28,31-33H,11H2/b7-3+,8-4+/t18-,21-,22+,23-,24+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C24H24O12,,504.126776208,TZEMRDVCZWVBHT,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Coussarea hydrangeifolia,283716.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Coussareeae'],['Coussarea'],['Coussarea hydrangeifolia'],4,3,8.700491905212402 70598,2726,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.800123,ISDB,TZEMRDVCZWVBHT-UTTQFQDJSA-N,"InChI=1S/C24H24O12/c25-14-5-1-12(9-16(14)27)3-7-19(29)34-11-18-21(31)22(32)23(33)24(35-18)36-20(30)8-4-13-2-6-15(26)17(28)10-13/h1-10,18,21-28,31-33H,11H2/b7-3+,8-4+/t18-,21-,22+,23-,24+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C24H24O12,,504.126776208,TZEMRDVCZWVBHT,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus buergeriana,528520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus buergeriana'],4,3,8.700491905212402 70536,2724,-1,,,,0.0,MS1_match,KFXVNXQXPRPLQA-CPIHIRBUSA-N,"InChI=1S/C36H48N2O10/c1-6-37-17-33(18-48-31(41)19-9-7-8-10-22(19)38-25(39)11-12-26(38)40)14-13-24(45-3)35-21-15-20-23(44-2)16-34(42,27(21)28(20)46-4)36(43,32(35)37)30(47-5)29(33)35/h7-10,20-21,23-24,27-30,32,42-43H,6,11-18H2,1-5H3/t20-,21-,23+,24+,27-,28+,29-,30+,32?,33+,34-,35+,36-/m1/s1",CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)CCC3=O)CC[C@H](OC)[C@]34C1[C@](O)([C@@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2OC,C36H48N2O10,pos_1_1proton1ethylamine,668.3308957359999,KFXVNXQXPRPLQA,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum lycoctonum,14055.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum lycoctonum'],6,0,6.0 70537,2724,-1,,,,0.0,MS1_match,KFXVNXQXPRPLQA-CPIHIRBUSA-N,"InChI=1S/C36H48N2O10/c1-6-37-17-33(18-48-31(41)19-9-7-8-10-22(19)38-25(39)11-12-26(38)40)14-13-24(45-3)35-21-15-20-23(44-2)16-34(42,27(21)28(20)46-4)36(43,32(35)37)30(47-5)29(33)35/h7-10,20-21,23-24,27-30,32,42-43H,6,11-18H2,1-5H3/t20-,21-,23+,24+,27-,28+,29-,30+,32?,33+,34-,35+,36-/m1/s1",CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)CCC3=O)CC[C@H](OC)[C@]34C1[C@](O)([C@@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2OC,C36H48N2O10,pos_1_1proton1ethylamine,668.3308957359999,KFXVNXQXPRPLQA,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum pseudolaeve,6131483.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum pseudolaeve'],6,0,6.0 70538,2724,-1,,,,0.0,MS1_match,KFXVNXQXPRPLQA-CPIHIRBUSA-N,"InChI=1S/C36H48N2O10/c1-6-37-17-33(18-48-31(41)19-9-7-8-10-22(19)38-25(39)11-12-26(38)40)14-13-24(45-3)35-21-15-20-23(44-2)16-34(42,27(21)28(20)46-4)36(43,32(35)37)30(47-5)29(33)35/h7-10,20-21,23-24,27-30,32,42-43H,6,11-18H2,1-5H3/t20-,21-,23+,24+,27-,28+,29-,30+,32?,33+,34-,35+,36-/m1/s1",CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)CCC3=O)CC[C@H](OC)[C@]34C1[C@](O)([C@@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2OC,C36H48N2O10,pos_1_1proton1ethylamine,668.3308957359999,KFXVNXQXPRPLQA,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium cashmerianum,884026.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium cashmerianum'],6,0,6.0 70539,2724,-1,,,,0.0,MS1_match,KFXVNXQXPRPLQA-UTAWNESASA-N,"InChI=1S/C36H48N2O10/c1-6-37-17-33(18-48-31(41)19-9-7-8-10-22(19)38-25(39)11-12-26(38)40)14-13-24(45-3)35-21-15-20-23(44-2)16-34(42,27(21)28(20)46-4)36(43,32(35)37)30(47-5)29(33)35/h7-10,20-21,23-24,27-30,32,42-43H,6,11-18H2,1-5H3/t20-,21?,23+,24+,27?,28?,29?,30?,32?,33+,34-,35+,36-/m1/s1",CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)CCC3=O)CC[C@H](OC)[C@@]34C5C[C@H]6C(OC)C5[C@](O)(C[C@@H]6OC)[C@@](O)(C(OC)C23)C14,C36H48N2O10,pos_1_1proton1ethylamine,668.330895736,KFXVNXQXPRPLQA,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum barbatum,625500.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum barbatum'],6,0,6.0 70540,2724,-1,,,,0.0,MS1_match,KFXVNXQXPRPLQA-CPIHIRBUSA-N,"InChI=1S/C36H48N2O10/c1-6-37-17-33(18-48-31(41)19-9-7-8-10-22(19)38-25(39)11-12-26(38)40)14-13-24(45-3)35-21-15-20-23(44-2)16-34(42,27(21)28(20)46-4)36(43,32(35)37)30(47-5)29(33)35/h7-10,20-21,23-24,27-30,32,42-43H,6,11-18H2,1-5H3/t20-,21-,23+,24+,27-,28+,29-,30+,32?,33+,34-,35+,36-/m1/s1",CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)CCC3=O)CC[C@H](OC)[C@]34C1[C@](O)([C@@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2OC,C36H48N2O10,pos_1_1proton1ethylamine,668.3308957359999,KFXVNXQXPRPLQA,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum orientale,586781.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum orientale'],6,0,6.0 70541,2724,-1,,,,0.0,MS1_match,KFXVNXQXPRPLQA-CQYQDAFJSA-N,"InChI=1S/C36H48N2O10/c1-6-37-17-33(18-48-31(41)19-9-7-8-10-22(19)38-25(39)11-12-26(38)40)14-13-24(45-3)35-21-15-20-23(44-2)16-34(42,27(21)28(20)46-4)36(43,32(35)37)30(47-5)29(33)35/h7-10,20-21,23-24,27-30,32,42-43H,6,11-18H2,1-5H3/t20-,21-,23+,24-,27-,28+,29-,30+,32+,33+,34-,35+,36-/m1/s1",CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)CCC3=O)CC[C@@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C36H48N2O10,pos_1_1proton1ethylamine,668.330895736,KFXVNXQXPRPLQA,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum ranunculoides,5737826.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum ranunculoides'],6,0,6.0 70542,2724,-1,,,,0.0,MS1_match,KFXVNXQXPRPLQA-CQYQDAFJSA-N,"InChI=1S/C36H48N2O10/c1-6-37-17-33(18-48-31(41)19-9-7-8-10-22(19)38-25(39)11-12-26(38)40)14-13-24(45-3)35-21-15-20-23(44-2)16-34(42,27(21)28(20)46-4)36(43,32(35)37)30(47-5)29(33)35/h7-10,20-21,23-24,27-30,32,42-43H,6,11-18H2,1-5H3/t20-,21-,23+,24-,27-,28+,29-,30+,32+,33+,34-,35+,36-/m1/s1",CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)CCC3=O)CC[C@@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C36H48N2O10,pos_1_1proton1ethylamine,668.330895736,KFXVNXQXPRPLQA,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum gigas,1014251.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum gigas'],6,0,6.0 70543,2724,-1,,,,0.0,MS1_match,KFXVNXQXPRPLQA-JEUORDJTSA-N,"InChI=1S/C36H48N2O10/c1-6-37-17-33(18-48-31(41)19-9-7-8-10-22(19)38-25(39)11-12-26(38)40)14-13-24(45-3)35-21-15-20-23(44-2)16-34(42,27(21)28(20)46-4)36(43,32(35)37)30(47-5)29(33)35/h7-10,20-21,23-24,27-30,32,42-43H,6,11-18H2,1-5H3/t20-,21-,23+,24+,27-,28+,29-,30+,32+,33+,34-,35+,36-/m1/s1",CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)CCC3=O)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C36H48N2O10,pos_1_1proton1ethylamine,668.330895736,KFXVNXQXPRPLQA,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium shawurense,5737868.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium shawurense'],6,0,6.0 70544,2724,-1,,,,0.0,MS1_match,KFXVNXQXPRPLQA-CPIHIRBUSA-N,"InChI=1S/C36H48N2O10/c1-6-37-17-33(18-48-31(41)19-9-7-8-10-22(19)38-25(39)11-12-26(38)40)14-13-24(45-3)35-21-15-20-23(44-2)16-34(42,27(21)28(20)46-4)36(43,32(35)37)30(47-5)29(33)35/h7-10,20-21,23-24,27-30,32,42-43H,6,11-18H2,1-5H3/t20-,21-,23+,24+,27-,28+,29-,30+,32?,33+,34-,35+,36-/m1/s1",CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)CCC3=O)CC[C@H](OC)[C@]34C1[C@](O)([C@@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2OC,C36H48N2O10,pos_1_1proton1ethylamine,668.3308957359999,KFXVNXQXPRPLQA,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum septentrionale,586782.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum septentrionale'],6,0,6.0 70545,2724,-1,,,,0.0,MS1_match,KFXVNXQXPRPLQA-CPIHIRBUSA-N,"InChI=1S/C36H48N2O10/c1-6-37-17-33(18-48-31(41)19-9-7-8-10-22(19)38-25(39)11-12-26(38)40)14-13-24(45-3)35-21-15-20-23(44-2)16-34(42,27(21)28(20)46-4)36(43,32(35)37)30(47-5)29(33)35/h7-10,20-21,23-24,27-30,32,42-43H,6,11-18H2,1-5H3/t20-,21-,23+,24+,27-,28+,29-,30+,32?,33+,34-,35+,36-/m1/s1",CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)CCC3=O)CC[C@H](OC)[C@]34C1[C@](O)([C@@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2OC,C36H48N2O10,pos_1_1proton1ethylamine,668.3308957359999,KFXVNXQXPRPLQA,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum lycoctonum,14055.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum lycoctonum'],6,0,6.0 70546,2724,-1,,,,0.0,MS1_match,KFXVNXQXPRPLQA-CPIHIRBUSA-N,"InChI=1S/C36H48N2O10/c1-6-37-17-33(18-48-31(41)19-9-7-8-10-22(19)38-25(39)11-12-26(38)40)14-13-24(45-3)35-21-15-20-23(44-2)16-34(42,27(21)28(20)46-4)36(43,32(35)37)30(47-5)29(33)35/h7-10,20-21,23-24,27-30,32,42-43H,6,11-18H2,1-5H3/t20-,21-,23+,24+,27-,28+,29-,30+,32?,33+,34-,35+,36-/m1/s1",CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)CCC3=O)CC[C@H](OC)[C@]34C1[C@](O)([C@@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2OC,C36H48N2O10,pos_1_1proton1ethylamine,668.3308957359999,KFXVNXQXPRPLQA,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum umbrosum,625491.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum umbrosum'],6,0,6.0 70547,2724,-1,,,,0.0,MS1_match,KFXVNXQXPRPLQA-CPIHIRBUSA-N,"InChI=1S/C36H48N2O10/c1-6-37-17-33(18-48-31(41)19-9-7-8-10-22(19)38-25(39)11-12-26(38)40)14-13-24(45-3)35-21-15-20-23(44-2)16-34(42,27(21)28(20)46-4)36(43,32(35)37)30(47-5)29(33)35/h7-10,20-21,23-24,27-30,32,42-43H,6,11-18H2,1-5H3/t20-,21-,23+,24+,27-,28+,29-,30+,32?,33+,34-,35+,36-/m1/s1",CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)CCC3=O)CC[C@H](OC)[C@]34C1[C@](O)([C@@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2OC,C36H48N2O10,pos_1_1proton1ethylamine,668.3308957359999,KFXVNXQXPRPLQA,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum pseudolaeve,6131483.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum pseudolaeve'],6,0,6.0 70548,2724,-1,,,,0.0,MS1_match,KFXVNXQXPRPLQA-CPIHIRBUSA-N,"InChI=1S/C36H48N2O10/c1-6-37-17-33(18-48-31(41)19-9-7-8-10-22(19)38-25(39)11-12-26(38)40)14-13-24(45-3)35-21-15-20-23(44-2)16-34(42,27(21)28(20)46-4)36(43,32(35)37)30(47-5)29(33)35/h7-10,20-21,23-24,27-30,32,42-43H,6,11-18H2,1-5H3/t20-,21-,23+,24+,27-,28+,29-,30+,32?,33+,34-,35+,36-/m1/s1",CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)CCC3=O)CC[C@H](OC)[C@]34C1[C@](O)([C@@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2OC,C36H48N2O10,pos_1_1proton1ethylamine,668.3308957359999,KFXVNXQXPRPLQA,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium cashmerianum,884026.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium cashmerianum'],6,0,6.0 70549,2724,-1,,,,0.0,MS1_match,SIUYRGJHHSURRD-UHFFFAOYSA-N,"InChI=1S/C36H48N2O10/c1-6-37-16-33(17-48-31(42)19-9-7-8-10-22(19)38-25(39)13-18(2)30(38)41)12-11-24(46-4)35-21-14-20-23(45-3)15-34(43,26(21)27(20)47-5)36(44,32(35)37)29(40)28(33)35/h7-10,18,20-21,23-24,26-29,32,40,43-44H,6,11-17H2,1-5H3",CCN1CC2(COC(=O)c3ccccc3N3C(=O)CC(C)C3=O)CCC(OC)C34C5CC6C(OC)CC(O)(C5C6OC)C(O)(C(O)C23)C14,C36H48N2O10,pos_1_1proton1ethylamine,668.330895736,SIUYRGJHHSURRD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium macrocentrum,259368.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium macrocentrum'],6,0,6.0 70550,2724,-1,,,,0.0,MS1_match,SIUYRGJHHSURRD-IPVNYRSLSA-N,"InChI=1S/C36H48N2O10/c1-6-37-16-33(17-48-31(42)19-9-7-8-10-22(19)38-25(39)13-18(2)30(38)41)12-11-24(46-4)35-21-14-20-23(45-3)15-34(43,26(21)27(20)47-5)36(44,32(35)37)29(40)28(33)35/h7-10,18,20-21,23-24,26-29,32,40,43-44H,6,11-17H2,1-5H3/t18-,20+,21+,23-,24-,26+,27-,28+,29-,32-,33-,34+,35-,36+/m0/s1",CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)C[C@H](C)C3=O)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](O)[C@H]23)[C@@H]14,C36H48N2O10,pos_1_1proton1ethylamine,668.330895736,SIUYRGJHHSURRD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium glaucescens,70143.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium glaucescens'],6,0,6.0 70551,2724,-1,,,,0.0,MS1_match,KPRGJDVXJLTFLK-UHFFFAOYSA-N,"InChI=1S/C36H48N2O10/c1-6-37-16-33(17-48-31(42)19-9-7-8-10-22(19)38-25(40)13-18(2)30(38)41)12-11-24(39)35-21-14-20-23(45-3)15-34(43,26(21)27(20)46-4)36(44,32(35)37)29(47-5)28(33)35/h7-10,18,20-21,23-24,26-29,32,39,43-44H,6,11-17H2,1-5H3",CCN1CC2(COC(=O)c3ccccc3N3C(=O)CC(C)C3=O)CCC(O)C34C5CC6C(OC)CC(O)(C5C6OC)C(O)(C(OC)C23)C14,C36H48N2O10,pos_1_1proton1ethylamine,668.3308957359998,KPRGJDVXJLTFLK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium macrocentrum,259368.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium macrocentrum'],6,0,6.0 70552,2724,-1,,,,0.0,MS1_match,KPRGJDVXJLTFLK-IPVNYRSLSA-N,"InChI=1S/C36H48N2O10/c1-6-37-16-33(17-48-31(42)19-9-7-8-10-22(19)38-25(40)13-18(2)30(38)41)12-11-24(39)35-21-14-20-23(45-3)15-34(43,26(21)27(20)46-4)36(44,32(35)37)29(47-5)28(33)35/h7-10,18,20-21,23-24,26-29,32,39,43-44H,6,11-17H2,1-5H3/t18-,20+,21+,23-,24-,26+,27-,28+,29-,32-,33-,34+,35-,36+/m0/s1",CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)C[C@H](C)C3=O)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C36H48N2O10,pos_1_1proton1ethylamine,668.330895736,KPRGJDVXJLTFLK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium glaucum,931149.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium glaucum'],6,0,6.0 70553,2724,-1,,,,0.0,MS1_match,KPRGJDVXJLTFLK-IPVNYRSLSA-N,"InChI=1S/C36H48N2O10/c1-6-37-16-33(17-48-31(42)19-9-7-8-10-22(19)38-25(40)13-18(2)30(38)41)12-11-24(39)35-21-14-20-23(45-3)15-34(43,26(21)27(20)46-4)36(44,32(35)37)29(47-5)28(33)35/h7-10,18,20-21,23-24,26-29,32,39,43-44H,6,11-17H2,1-5H3/t18-,20+,21+,23-,24-,26+,27-,28+,29-,32-,33-,34+,35-,36+/m0/s1",CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)C[C@H](C)C3=O)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C36H48N2O10,pos_1_1proton1ethylamine,668.330895736,KPRGJDVXJLTFLK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium barbeyi,591161.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium barbeyi'],6,0,6.0 70554,2724,-1,,,,0.0,MS1_match,KPRGJDVXJLTFLK-IPVNYRSLSA-N,"InChI=1S/C36H48N2O10/c1-6-37-16-33(17-48-31(42)19-9-7-8-10-22(19)38-25(40)13-18(2)30(38)41)12-11-24(39)35-21-14-20-23(45-3)15-34(43,26(21)27(20)46-4)36(44,32(35)37)29(47-5)28(33)35/h7-10,18,20-21,23-24,26-29,32,39,43-44H,6,11-17H2,1-5H3/t18-,20+,21+,23-,24-,26+,27-,28+,29-,32-,33-,34+,35-,36+/m0/s1",CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)C[C@H](C)C3=O)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C36H48N2O10,pos_1_1proton1ethylamine,668.330895736,KPRGJDVXJLTFLK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium occidentale,3944974.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium occidentale'],6,0,6.0 70555,2724,-1,,,,0.0,MS1_match,KPRGJDVXJLTFLK-IPVNYRSLSA-N,"InChI=1S/C36H48N2O10/c1-6-37-16-33(17-48-31(42)19-9-7-8-10-22(19)38-25(40)13-18(2)30(38)41)12-11-24(39)35-21-14-20-23(45-3)15-34(43,26(21)27(20)46-4)36(44,32(35)37)29(47-5)28(33)35/h7-10,18,20-21,23-24,26-29,32,39,43-44H,6,11-17H2,1-5H3/t18-,20+,21+,23-,24-,26+,27-,28+,29-,32-,33-,34+,35-,36+/m0/s1",CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)C[C@H](C)C3=O)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C36H48N2O10,pos_1_1proton1ethylamine,668.330895736,KPRGJDVXJLTFLK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium grandiflorum,1004833.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium grandiflorum'],6,0,6.0 70556,2724,-1,,,,0.0,MS1_match,KPRGJDVXJLTFLK-UHFFFAOYSA-N,"InChI=1S/C36H48N2O10/c1-6-37-16-33(17-48-31(42)19-9-7-8-10-22(19)38-25(40)13-18(2)30(38)41)12-11-24(39)35-21-14-20-23(45-3)15-34(43,26(21)27(20)46-4)36(44,32(35)37)29(47-5)28(33)35/h7-10,18,20-21,23-24,26-29,32,39,43-44H,6,11-17H2,1-5H3",CCN1CC2(COC(=O)c3ccccc3N3C(=O)CC(C)C3=O)CCC(O)C34C5CC6C(OC)CC(O)(C5C6OC)C(O)(C(OC)C23)C14,C36H48N2O10,pos_1_1proton1ethylamine,668.3308957359998,KPRGJDVXJLTFLK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium macrocentrum,259368.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium macrocentrum'],6,0,6.0 70557,2724,-1,,,,0.0,MS1_match,KPRGJDVXJLTFLK-IPVNYRSLSA-N,"InChI=1S/C36H48N2O10/c1-6-37-16-33(17-48-31(42)19-9-7-8-10-22(19)38-25(40)13-18(2)30(38)41)12-11-24(39)35-21-14-20-23(45-3)15-34(43,26(21)27(20)46-4)36(44,32(35)37)29(47-5)28(33)35/h7-10,18,20-21,23-24,26-29,32,39,43-44H,6,11-17H2,1-5H3/t18-,20+,21+,23-,24-,26+,27-,28+,29-,32-,33-,34+,35-,36+/m0/s1",CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)C[C@H](C)C3=O)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C36H48N2O10,pos_1_1proton1ethylamine,668.330895736,KPRGJDVXJLTFLK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium glaucum,931149.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium glaucum'],6,0,6.0 70558,2724,-1,,,,0.0,MS1_match,KPRGJDVXJLTFLK-IPVNYRSLSA-N,"InChI=1S/C36H48N2O10/c1-6-37-16-33(17-48-31(42)19-9-7-8-10-22(19)38-25(40)13-18(2)30(38)41)12-11-24(39)35-21-14-20-23(45-3)15-34(43,26(21)27(20)46-4)36(44,32(35)37)29(47-5)28(33)35/h7-10,18,20-21,23-24,26-29,32,39,43-44H,6,11-17H2,1-5H3/t18-,20+,21+,23-,24-,26+,27-,28+,29-,32-,33-,34+,35-,36+/m0/s1",CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)C[C@H](C)C3=O)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C36H48N2O10,pos_1_1proton1ethylamine,668.330895736,KPRGJDVXJLTFLK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium barbeyi,591161.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium barbeyi'],6,0,6.0 70559,2724,-1,,,,0.0,MS1_match,KPRGJDVXJLTFLK-IPVNYRSLSA-N,"InChI=1S/C36H48N2O10/c1-6-37-16-33(17-48-31(42)19-9-7-8-10-22(19)38-25(40)13-18(2)30(38)41)12-11-24(39)35-21-14-20-23(45-3)15-34(43,26(21)27(20)46-4)36(44,32(35)37)29(47-5)28(33)35/h7-10,18,20-21,23-24,26-29,32,39,43-44H,6,11-17H2,1-5H3/t18-,20+,21+,23-,24-,26+,27-,28+,29-,32-,33-,34+,35-,36+/m0/s1",CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)C[C@H](C)C3=O)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C36H48N2O10,pos_1_1proton1ethylamine,668.330895736,KPRGJDVXJLTFLK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium occidentale,3944974.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium occidentale'],6,0,6.0 70560,2724,-1,,,,0.0,MS1_match,KPRGJDVXJLTFLK-IPVNYRSLSA-N,"InChI=1S/C36H48N2O10/c1-6-37-16-33(17-48-31(42)19-9-7-8-10-22(19)38-25(40)13-18(2)30(38)41)12-11-24(39)35-21-14-20-23(45-3)15-34(43,26(21)27(20)46-4)36(44,32(35)37)29(47-5)28(33)35/h7-10,18,20-21,23-24,26-29,32,39,43-44H,6,11-17H2,1-5H3/t18-,20+,21+,23-,24-,26+,27-,28+,29-,32-,33-,34+,35-,36+/m0/s1",CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)C[C@H](C)C3=O)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C36H48N2O10,pos_1_1proton1ethylamine,668.330895736,KPRGJDVXJLTFLK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium grandiflorum,1004833.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium grandiflorum'],6,0,6.0 70561,2724,-1,,,,0.0,MS1_match,NJEUIUZXNUEPGH-IPVNYRSLSA-N,"InChI=1S/C36H48N2O10/c1-6-37-16-33(17-48-31(42)19-9-7-8-10-22(19)38-25(40)13-18(2)30(38)41)12-11-24(45-3)35-21-14-20-23(39)15-34(43,26(21)27(20)46-4)36(44,32(35)37)29(47-5)28(33)35/h7-10,18,20-21,23-24,26-29,32,39,43-44H,6,11-17H2,1-5H3/t18-,20+,21+,23-,24-,26+,27-,28+,29-,32-,33-,34+,35-,36+/m0/s1",CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)C[C@H](C)C3=O)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6O)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C36H48N2O10,pos_1_1proton1ethylamine,668.330895736,NJEUIUZXNUEPGH,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium glaucum,931149.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium glaucum'],6,0,6.0 70562,2724,-1,,,,0.0,MS1_match,NJEUIUZXNUEPGH-IPVNYRSLSA-N,"InChI=1S/C36H48N2O10/c1-6-37-16-33(17-48-31(42)19-9-7-8-10-22(19)38-25(40)13-18(2)30(38)41)12-11-24(45-3)35-21-14-20-23(39)15-34(43,26(21)27(20)46-4)36(44,32(35)37)29(47-5)28(33)35/h7-10,18,20-21,23-24,26-29,32,39,43-44H,6,11-17H2,1-5H3/t18-,20+,21+,23-,24-,26+,27-,28+,29-,32-,33-,34+,35-,36+/m0/s1",CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)C[C@H](C)C3=O)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6O)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C36H48N2O10,pos_1_1proton1ethylamine,668.330895736,NJEUIUZXNUEPGH,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium barbeyi,591161.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium barbeyi'],6,0,6.0 70563,2724,-1,,,,0.0,MS1_match,NJEUIUZXNUEPGH-IPVNYRSLSA-N,"InChI=1S/C36H48N2O10/c1-6-37-16-33(17-48-31(42)19-9-7-8-10-22(19)38-25(40)13-18(2)30(38)41)12-11-24(45-3)35-21-14-20-23(39)15-34(43,26(21)27(20)46-4)36(44,32(35)37)29(47-5)28(33)35/h7-10,18,20-21,23-24,26-29,32,39,43-44H,6,11-17H2,1-5H3/t18-,20+,21+,23-,24-,26+,27-,28+,29-,32-,33-,34+,35-,36+/m0/s1",CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)C[C@H](C)C3=O)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6O)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C36H48N2O10,pos_1_1proton1ethylamine,668.330895736,NJEUIUZXNUEPGH,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium occidentale,3944974.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium occidentale'],6,0,6.0 70564,2724,-1,,,,0.0,MS1_match,KFXVNXQXPRPLQA-CPIHIRBUSA-N,"InChI=1S/C36H48N2O10/c1-6-37-17-33(18-48-31(41)19-9-7-8-10-22(19)38-25(39)11-12-26(38)40)14-13-24(45-3)35-21-15-20-23(44-2)16-34(42,27(21)28(20)46-4)36(43,32(35)37)30(47-5)29(33)35/h7-10,20-21,23-24,27-30,32,42-43H,6,11-18H2,1-5H3/t20-,21-,23+,24+,27-,28+,29-,30+,32?,33+,34-,35+,36-/m1/s1",CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)CCC3=O)CC[C@H](OC)[C@]34C1[C@](O)([C@@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2OC,C36H48N2O10,pos_1_1proton1ethylamine,668.3308957359999,KFXVNXQXPRPLQA,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum umbrosum,625491.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum umbrosum'],6,0,6.0 70565,2724,-1,,,,0.0,MS1_match,NJEUIUZXNUEPGH-IPVNYRSLSA-N,"InChI=1S/C36H48N2O10/c1-6-37-16-33(17-48-31(42)19-9-7-8-10-22(19)38-25(40)13-18(2)30(38)41)12-11-24(45-3)35-21-14-20-23(39)15-34(43,26(21)27(20)46-4)36(44,32(35)37)29(47-5)28(33)35/h7-10,18,20-21,23-24,26-29,32,39,43-44H,6,11-17H2,1-5H3/t18-,20+,21+,23-,24-,26+,27-,28+,29-,32-,33-,34+,35-,36+/m0/s1",CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)C[C@H](C)C3=O)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6O)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C36H48N2O10,pos_1_1proton1ethylamine,668.330895736,NJEUIUZXNUEPGH,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium,518366.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Unknown'],6,0,6.0 70566,2724,-1,,,,0.0,MS1_match,NJEUIUZXNUEPGH-IPVNYRSLSA-N,"InChI=1S/C36H48N2O10/c1-6-37-16-33(17-48-31(42)19-9-7-8-10-22(19)38-25(40)13-18(2)30(38)41)12-11-24(45-3)35-21-14-20-23(39)15-34(43,26(21)27(20)46-4)36(44,32(35)37)29(47-5)28(33)35/h7-10,18,20-21,23-24,26-29,32,39,43-44H,6,11-17H2,1-5H3/t18-,20+,21+,23-,24-,26+,27-,28+,29-,32-,33-,34+,35-,36+/m0/s1",CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)C[C@H](C)C3=O)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6O)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C36H48N2O10,pos_1_1proton1ethylamine,668.330895736,NJEUIUZXNUEPGH,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium nuttallianum,643524.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium nuttallianum'],6,0,6.0 70567,2724,-1,,,,0.0,MS1_match,KFXVNXQXPRPLQA-JEUORDJTSA-N,"InChI=1S/C36H48N2O10/c1-6-37-17-33(18-48-31(41)19-9-7-8-10-22(19)38-25(39)11-12-26(38)40)14-13-24(45-3)35-21-15-20-23(44-2)16-34(42,27(21)28(20)46-4)36(43,32(35)37)30(47-5)29(33)35/h7-10,20-21,23-24,27-30,32,42-43H,6,11-18H2,1-5H3/t20-,21-,23+,24+,27-,28+,29-,30+,32+,33+,34-,35+,36-/m1/s1",CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)CCC3=O)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C36H48N2O10,pos_1_1proton1ethylamine,668.330895736,KFXVNXQXPRPLQA,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium shawurense,5737868.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium shawurense'],6,0,6.0 70568,2724,-1,,,,0.0,MS1_match,NCPUFUMYGPQEOY-SVPNHDCUSA-N,"InChI=1S/C38H60O11/c1-18-15-20-29(33(5,6)47-19(2)40)49-38(48-20)28(18)34(7)13-14-37-17-36(37)12-11-24(46-30-27(43)26(42)25(41)21(16-39)45-30)32(3,4)22(36)9-10-23(37)35(34,8)31(38)44/h18,20-31,39,41-44H,9-17H2,1-8H3/t18-,20-,21-,22+,23+,24+,25+,26+,27-,28-,29+,30+,31-,34-,35-,36-,37+,38+/m1/s1",CC(=O)OC(C)(C)[C@H]1O[C@@]23O[C@@H]1C[C@@H](C)[C@@H]2[C@@]1(C)CC[C@@]24C[C@@]25CC[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@@H]5CC[C@H]4[C@]1(C)[C@H]3O,C38H60O11,pos_1_sodium,692.41356274,NCPUFUMYGPQEOY,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Actaea cimicifuga,988720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea cimicifuga'],6,0,6.0 70569,2724,-1,,,,0.0,MS1_match,NCPUFUMYGPQEOY-UHFFFAOYSA-N,"InChI=1S/C38H60O11/c1-18-15-20-29(33(5,6)47-19(2)40)49-38(48-20)28(18)34(7)13-14-37-17-36(37)12-11-24(46-30-27(43)26(42)25(41)21(16-39)45-30)32(3,4)22(36)9-10-23(37)35(34,8)31(38)44/h18,20-31,39,41-44H,9-17H2,1-8H3",CC(=O)OC(C)(C)C1OC23OC1CC(C)C2C1(C)CCC24CC25CCC(OC2OC(CO)C(O)C(O)C2O)C(C)(C)C5CCC4C1(C)C3O,C38H60O11,pos_1_sodium,692.41356274,NCPUFUMYGPQEOY,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Actaea elata,988729.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea elata'],6,0,6.0 70570,2724,-1,,,,0.0,MS1_match,NCPUFUMYGPQEOY-IOJKHVKYSA-N,"InChI=1S/C38H60O11/c1-18-15-20-29(33(5,6)47-19(2)40)49-38(48-20)28(18)34(7)13-14-37-17-36(37)12-11-24(46-30-27(43)26(42)25(41)21(16-39)45-30)32(3,4)22(36)9-10-23(37)35(34,8)31(38)44/h18,20-31,39,41-44H,9-17H2,1-8H3/t18-,20-,21-,22+,23+,24+,25-,26+,27-,28-,29+,30+,31-,34-,35-,36-,37+,38+/m1/s1",CC(=O)OC(C)(C)[C@H]1O[C@@]23O[C@@H]1C[C@@H](C)[C@@H]2[C@@]1(C)CC[C@@]24C[C@@]25CC[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@@H]5CC[C@H]4[C@]1(C)[C@H]3O,C38H60O11,pos_1_sodium,692.41356274,NCPUFUMYGPQEOY,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Actaea simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],6,0,6.0 70571,2724,-1,,,,0.0,MS1_match,NCPUFUMYGPQEOY-IOJKHVKYSA-N,"InChI=1S/C38H60O11/c1-18-15-20-29(33(5,6)47-19(2)40)49-38(48-20)28(18)34(7)13-14-37-17-36(37)12-11-24(46-30-27(43)26(42)25(41)21(16-39)45-30)32(3,4)22(36)9-10-23(37)35(34,8)31(38)44/h18,20-31,39,41-44H,9-17H2,1-8H3/t18-,20-,21-,22+,23+,24+,25-,26+,27-,28-,29+,30+,31-,34-,35-,36-,37+,38+/m1/s1",CC(=O)OC(C)(C)[C@H]1O[C@@]23O[C@@H]1C[C@@H](C)[C@@H]2[C@@]1(C)CC[C@@]24C[C@@]25CC[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@@H]5CC[C@H]4[C@]1(C)[C@H]3O,C38H60O11,pos_1_sodium,692.41356274,NCPUFUMYGPQEOY,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Cimicifuga simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],6,0,6.0 70572,2724,-1,,,,0.0,MS1_match,JJQWNJKBKYZYPG-PLYCVDNSSA-N,"InChI=1S/C38H60O11/c1-19-16-22(29(47-20(2)39)33(5,6)45-9)49-38(44)28(19)34(7)14-15-37-18-36(37)13-12-25(48-30-27(42)26(41)21(40)17-46-30)32(3,4)23(36)10-11-24(37)35(34,8)31(38)43/h11,19,21-23,25-31,40-44H,10,12-18H2,1-9H3/t19-,21-,22+,23-,25+,26+,27-,28-,29+,30+,31-,34-,35-,36-,37+,38-/m1/s1",COC(C)(C)[C@@H](OC(C)=O)[C@@H]1C[C@@H](C)[C@H]2[C@@](O)(O1)[C@H](O)[C@@]1(C)C3=CC[C@@H]4C(C)(C)[C@@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)CC[C@@]45C[C@@]35CC[C@]21C,C38H60O11,pos_1_sodium,692.41356274,JJQWNJKBKYZYPG,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Actaea simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],6,0,6.0 70573,2724,-1,,,,0.0,MS1_match,JJQWNJKBKYZYPG-PLYCVDNSSA-N,"InChI=1S/C38H60O11/c1-19-16-22(29(47-20(2)39)33(5,6)45-9)49-38(44)28(19)34(7)14-15-37-18-36(37)13-12-25(48-30-27(42)26(41)21(40)17-46-30)32(3,4)23(36)10-11-24(37)35(34,8)31(38)43/h11,19,21-23,25-31,40-44H,10,12-18H2,1-9H3/t19-,21-,22+,23-,25+,26+,27-,28-,29+,30+,31-,34-,35-,36-,37+,38-/m1/s1",COC(C)(C)[C@@H](OC(C)=O)[C@@H]1C[C@@H](C)[C@H]2[C@@](O)(O1)[C@H](O)[C@@]1(C)C3=CC[C@@H]4C(C)(C)[C@@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)CC[C@@]45C[C@@]35CC[C@]21C,C38H60O11,pos_1_sodium,692.41356274,JJQWNJKBKYZYPG,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Cimicifuga simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],6,0,6.0 70574,2724,-1,,,,0.0,MS1_match,GFWYSOWSJXKFFQ-IPVNYRSLSA-N,"InChI=1S/C36H48N2O10/c1-6-37-16-33(17-48-31(42)19-9-7-8-10-22(19)38-25(39)13-18(2)30(38)41)12-11-24(46-4)35-21-14-20-23(45-3)15-34(43,26(21)27(20)40)36(44,32(35)37)29(47-5)28(33)35/h7-10,18,20-21,23-24,26-29,32,40,43-44H,6,11-17H2,1-5H3/t18-,20+,21+,23-,24-,26+,27-,28+,29-,32-,33-,34+,35-,36+/m0/s1",CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)C[C@H](C)C3=O)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C36H48N2O10,pos_1_1proton1ethylamine,668.330895736,GFWYSOWSJXKFFQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium pentagynum,782529.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium pentagynum'],6,0,6.0 70575,2724,-1,,,,0.0,MS1_match,GFWYSOWSJXKFFQ-ITNXDDNLSA-N,"InChI=1S/C36H48N2O10/c1-6-37-16-33(17-48-31(42)19-9-7-8-10-22(19)38-25(39)13-18(2)30(38)41)12-11-24(46-4)35-21-14-20-23(45-3)15-34(43,26(21)27(20)40)36(44,32(35)37)29(47-5)28(33)35/h7-10,18,20-21,23-24,26-29,32,40,43-44H,6,11-17H2,1-5H3/t18-,20+,21+,23-,24-,26+,27-,28+,29-,32?,33-,34+,35-,36+/m0/s1",CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)C[C@H](C)C3=O)CC[C@H](OC)[C@]34C1[C@](O)([C@@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C36H48N2O10,pos_1_1proton1ethylamine,668.330895736,GFWYSOWSJXKFFQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium nuttallianum,643524.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium nuttallianum'],6,0,6.0 70576,2724,-1,,,,0.0,MS1_match,GFWYSOWSJXKFFQ-ITNXDDNLSA-N,"InChI=1S/C36H48N2O10/c1-6-37-16-33(17-48-31(42)19-9-7-8-10-22(19)38-25(39)13-18(2)30(38)41)12-11-24(46-4)35-21-14-20-23(45-3)15-34(43,26(21)27(20)40)36(44,32(35)37)29(47-5)28(33)35/h7-10,18,20-21,23-24,26-29,32,40,43-44H,6,11-17H2,1-5H3/t18-,20+,21+,23-,24-,26+,27-,28+,29-,32?,33-,34+,35-,36+/m0/s1",CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)C[C@H](C)C3=O)CC[C@H](OC)[C@]34C1[C@](O)([C@@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C36H48N2O10,pos_1_1proton1ethylamine,668.330895736,GFWYSOWSJXKFFQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium barbeyi,591161.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium barbeyi'],6,0,6.0 70577,2724,-1,,,,0.0,MS1_match,GFWYSOWSJXKFFQ-ITNXDDNLSA-N,"InChI=1S/C36H48N2O10/c1-6-37-16-33(17-48-31(42)19-9-7-8-10-22(19)38-25(39)13-18(2)30(38)41)12-11-24(46-4)35-21-14-20-23(45-3)15-34(43,26(21)27(20)40)36(44,32(35)37)29(47-5)28(33)35/h7-10,18,20-21,23-24,26-29,32,40,43-44H,6,11-17H2,1-5H3/t18-,20+,21+,23-,24-,26+,27-,28+,29-,32?,33-,34+,35-,36+/m0/s1",CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)C[C@H](C)C3=O)CC[C@H](OC)[C@]34C1[C@](O)([C@@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C36H48N2O10,pos_1_1proton1ethylamine,668.330895736,GFWYSOWSJXKFFQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium glaucum,931149.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium glaucum'],6,0,6.0 70578,2724,-1,,,,0.0,MS1_match,GFWYSOWSJXKFFQ-ITNXDDNLSA-N,"InChI=1S/C36H48N2O10/c1-6-37-16-33(17-48-31(42)19-9-7-8-10-22(19)38-25(39)13-18(2)30(38)41)12-11-24(46-4)35-21-14-20-23(45-3)15-34(43,26(21)27(20)40)36(44,32(35)37)29(47-5)28(33)35/h7-10,18,20-21,23-24,26-29,32,40,43-44H,6,11-17H2,1-5H3/t18-,20+,21+,23-,24-,26+,27-,28+,29-,32?,33-,34+,35-,36+/m0/s1",CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)C[C@H](C)C3=O)CC[C@H](OC)[C@]34C1[C@](O)([C@@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C36H48N2O10,pos_1_1proton1ethylamine,668.330895736,GFWYSOWSJXKFFQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium occidentale,3944974.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium occidentale'],6,0,6.0 70579,2724,-1,,,,0.0,MS1_match,KFXVNXQXPRPLQA-CPIHIRBUSA-N,"InChI=1S/C36H48N2O10/c1-6-37-17-33(18-48-31(41)19-9-7-8-10-22(19)38-25(39)11-12-26(38)40)14-13-24(45-3)35-21-15-20-23(44-2)16-34(42,27(21)28(20)46-4)36(43,32(35)37)30(47-5)29(33)35/h7-10,20-21,23-24,27-30,32,42-43H,6,11-18H2,1-5H3/t20-,21-,23+,24+,27-,28+,29-,30+,32?,33+,34-,35+,36-/m1/s1",CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)CCC3=O)CC[C@H](OC)[C@]34C1[C@](O)([C@@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2OC,C36H48N2O10,pos_1_1proton1ethylamine,668.3308957359999,KFXVNXQXPRPLQA,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum septentrionale,586782.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum septentrionale'],6,0,6.0 70580,2724,-1,,,,0.0,MS1_match,GFWYSOWSJXKFFQ-ITNXDDNLSA-N,"InChI=1S/C36H48N2O10/c1-6-37-16-33(17-48-31(42)19-9-7-8-10-22(19)38-25(39)13-18(2)30(38)41)12-11-24(46-4)35-21-14-20-23(45-3)15-34(43,26(21)27(20)40)36(44,32(35)37)29(47-5)28(33)35/h7-10,18,20-21,23-24,26-29,32,40,43-44H,6,11-17H2,1-5H3/t18-,20+,21+,23-,24-,26+,27-,28+,29-,32?,33-,34+,35-,36+/m0/s1",CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)C[C@H](C)C3=O)CC[C@H](OC)[C@]34C1[C@](O)([C@@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C36H48N2O10,pos_1_1proton1ethylamine,668.330895736,GFWYSOWSJXKFFQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium andersonii,591156.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium andersonii'],6,0,6.0 70581,2724,-1,,,,0.0,MS1_match,GFWYSOWSJXKFFQ-ITNXDDNLSA-N,"InChI=1S/C36H48N2O10/c1-6-37-16-33(17-48-31(42)19-9-7-8-10-22(19)38-25(39)13-18(2)30(38)41)12-11-24(46-4)35-21-14-20-23(45-3)15-34(43,26(21)27(20)40)36(44,32(35)37)29(47-5)28(33)35/h7-10,18,20-21,23-24,26-29,32,40,43-44H,6,11-17H2,1-5H3/t18-,20+,21+,23-,24-,26+,27-,28+,29-,32?,33-,34+,35-,36+/m0/s1",CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)C[C@H](C)C3=O)CC[C@H](OC)[C@]34C1[C@](O)([C@@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C36H48N2O10,pos_1_1proton1ethylamine,668.330895736,GFWYSOWSJXKFFQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium elatum,518362.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium elatum'],6,0,6.0 70582,2724,-1,,,,0.0,MS1_match,GFWYSOWSJXKFFQ-ITNXDDNLSA-N,"InChI=1S/C36H48N2O10/c1-6-37-16-33(17-48-31(42)19-9-7-8-10-22(19)38-25(39)13-18(2)30(38)41)12-11-24(46-4)35-21-14-20-23(45-3)15-34(43,26(21)27(20)40)36(44,32(35)37)29(47-5)28(33)35/h7-10,18,20-21,23-24,26-29,32,40,43-44H,6,11-17H2,1-5H3/t18-,20+,21+,23-,24-,26+,27-,28+,29-,32?,33-,34+,35-,36+/m0/s1",CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)C[C@H](C)C3=O)CC[C@H](OC)[C@]34C1[C@](O)([C@@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C36H48N2O10,pos_1_1proton1ethylamine,668.330895736,GFWYSOWSJXKFFQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium semibarbatum,224726.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium semibarbatum'],6,0,6.0 70583,2724,-1,,,,0.0,MS1_match,GFWYSOWSJXKFFQ-ITNXDDNLSA-N,"InChI=1S/C36H48N2O10/c1-6-37-16-33(17-48-31(42)19-9-7-8-10-22(19)38-25(39)13-18(2)30(38)41)12-11-24(46-4)35-21-14-20-23(45-3)15-34(43,26(21)27(20)40)36(44,32(35)37)29(47-5)28(33)35/h7-10,18,20-21,23-24,26-29,32,40,43-44H,6,11-17H2,1-5H3/t18-,20+,21+,23-,24-,26+,27-,28+,29-,32?,33-,34+,35-,36+/m0/s1",CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)C[C@H](C)C3=O)CC[C@H](OC)[C@]34C1[C@](O)([C@@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C36H48N2O10,pos_1_1proton1ethylamine,668.330895736,GFWYSOWSJXKFFQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium semibarbartum,3944980.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium semibarbartum'],6,0,6.0 70584,2724,-1,,,,0.0,MS1_match,GFWYSOWSJXKFFQ-ITNXDDNLSA-N,"InChI=1S/C36H48N2O10/c1-6-37-16-33(17-48-31(42)19-9-7-8-10-22(19)38-25(39)13-18(2)30(38)41)12-11-24(46-4)35-21-14-20-23(45-3)15-34(43,26(21)27(20)40)36(44,32(35)37)29(47-5)28(33)35/h7-10,18,20-21,23-24,26-29,32,40,43-44H,6,11-17H2,1-5H3/t18-,20+,21+,23-,24-,26+,27-,28+,29-,32?,33-,34+,35-,36+/m0/s1",CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)C[C@H](C)C3=O)CC[C@H](OC)[C@]34C1[C@](O)([C@@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C36H48N2O10,pos_1_1proton1ethylamine,668.330895736,GFWYSOWSJXKFFQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium zalil,224726.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium semibarbatum'],6,0,6.0 70585,2724,-1,,,,0.0,MS1_match,GFWYSOWSJXKFFQ-ITNXDDNLSA-N,"InChI=1S/C36H48N2O10/c1-6-37-16-33(17-48-31(42)19-9-7-8-10-22(19)38-25(39)13-18(2)30(38)41)12-11-24(46-4)35-21-14-20-23(45-3)15-34(43,26(21)27(20)40)36(44,32(35)37)29(47-5)28(33)35/h7-10,18,20-21,23-24,26-29,32,40,43-44H,6,11-17H2,1-5H3/t18-,20+,21+,23-,24-,26+,27-,28+,29-,32?,33-,34+,35-,36+/m0/s1",CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)C[C@H](C)C3=O)CC[C@H](OC)[C@]34C1[C@](O)([C@@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C36H48N2O10,pos_1_1proton1ethylamine,668.330895736,GFWYSOWSJXKFFQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium glaucescens,70143.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium glaucescens'],6,0,6.0 70586,2724,-1,,,,0.0,MS1_match,GFWYSOWSJXKFFQ-IPVNYRSLSA-N,"InChI=1S/C36H48N2O10/c1-6-37-16-33(17-48-31(42)19-9-7-8-10-22(19)38-25(39)13-18(2)30(38)41)12-11-24(46-4)35-21-14-20-23(45-3)15-34(43,26(21)27(20)40)36(44,32(35)37)29(47-5)28(33)35/h7-10,18,20-21,23-24,26-29,32,40,43-44H,6,11-17H2,1-5H3/t18-,20+,21+,23-,24-,26+,27-,28+,29-,32-,33-,34+,35-,36+/m0/s1",CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)C[C@H](C)C3=O)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C36H48N2O10,pos_1_1proton1ethylamine,668.330895736,GFWYSOWSJXKFFQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium scabriflorum,6131796.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium scabriflorum'],6,0,6.0 70587,2724,-1,,,,0.0,MS1_match,GFWYSOWSJXKFFQ-FPHKUYHXSA-N,"InChI=1S/C36H48N2O10/c1-6-37-16-33(17-48-31(42)19-9-7-8-10-22(19)38-25(39)13-18(2)30(38)41)12-11-24(46-4)35-21-14-20-23(45-3)15-34(43,26(21)27(20)40)36(44,32(35)37)29(47-5)28(33)35/h7-10,18,20-21,23-24,26-29,32,40,43-44H,6,11-17H2,1-5H3/t18?,20-,21-,23+,24+,26-,27+,28-,29+,32?,33+,34-,35+,36-/m1/s1",CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)CC(C)C3=O)CC[C@H](OC)[C@]34C1[C@](O)([C@@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C36H48N2O10,pos_1_1proton1ethylamine,668.330895736,GFWYSOWSJXKFFQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium,518366.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Unknown'],6,0,6.0 70588,2724,-1,,,,0.0,MS1_match,GFWYSOWSJXKFFQ-IPVNYRSLSA-N,"InChI=1S/C36H48N2O10/c1-6-37-16-33(17-48-31(42)19-9-7-8-10-22(19)38-25(39)13-18(2)30(38)41)12-11-24(46-4)35-21-14-20-23(45-3)15-34(43,26(21)27(20)40)36(44,32(35)37)29(47-5)28(33)35/h7-10,18,20-21,23-24,26-29,32,40,43-44H,6,11-17H2,1-5H3/t18-,20+,21+,23-,24-,26+,27-,28+,29-,32-,33-,34+,35-,36+/m0/s1",CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)C[C@H](C)C3=O)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C36H48N2O10,pos_1_1proton1ethylamine,668.330895736,GFWYSOWSJXKFFQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium stapeliosum,6131808.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium stapeliosum'],6,0,6.0 70589,2724,-1,,,,0.0,MS1_match,KFXVNXQXPRPLQA-UTAWNESASA-N,"InChI=1S/C36H48N2O10/c1-6-37-17-33(18-48-31(41)19-9-7-8-10-22(19)38-25(39)11-12-26(38)40)14-13-24(45-3)35-21-15-20-23(44-2)16-34(42,27(21)28(20)46-4)36(43,32(35)37)30(47-5)29(33)35/h7-10,20-21,23-24,27-30,32,42-43H,6,11-18H2,1-5H3/t20-,21?,23+,24+,27?,28?,29?,30?,32?,33+,34-,35+,36-/m1/s1",CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)CCC3=O)CC[C@H](OC)[C@@]34C5C[C@H]6C(OC)C5[C@](O)(C[C@@H]6OC)[C@@](O)(C(OC)C23)C14,C36H48N2O10,pos_1_1proton1ethylamine,668.330895736,KFXVNXQXPRPLQA,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum barbatum,625500.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum barbatum'],6,0,6.0 70590,2724,-1,,,,0.0,MS1_match,KFXVNXQXPRPLQA-CPIHIRBUSA-N,"InChI=1S/C36H48N2O10/c1-6-37-17-33(18-48-31(41)19-9-7-8-10-22(19)38-25(39)11-12-26(38)40)14-13-24(45-3)35-21-15-20-23(44-2)16-34(42,27(21)28(20)46-4)36(43,32(35)37)30(47-5)29(33)35/h7-10,20-21,23-24,27-30,32,42-43H,6,11-18H2,1-5H3/t20-,21-,23+,24+,27-,28+,29-,30+,32?,33+,34-,35+,36-/m1/s1",CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)CCC3=O)CC[C@H](OC)[C@]34C1[C@](O)([C@@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2OC,C36H48N2O10,pos_1_1proton1ethylamine,668.3308957359999,KFXVNXQXPRPLQA,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum orientale,586781.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum orientale'],6,0,6.0 70591,2724,-1,,,,0.0,MS1_match,KFXVNXQXPRPLQA-CQYQDAFJSA-N,"InChI=1S/C36H48N2O10/c1-6-37-17-33(18-48-31(41)19-9-7-8-10-22(19)38-25(39)11-12-26(38)40)14-13-24(45-3)35-21-15-20-23(44-2)16-34(42,27(21)28(20)46-4)36(43,32(35)37)30(47-5)29(33)35/h7-10,20-21,23-24,27-30,32,42-43H,6,11-18H2,1-5H3/t20-,21-,23+,24-,27-,28+,29-,30+,32+,33+,34-,35+,36-/m1/s1",CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)CCC3=O)CC[C@@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C36H48N2O10,pos_1_1proton1ethylamine,668.330895736,KFXVNXQXPRPLQA,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum ranunculoides,5737826.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum ranunculoides'],6,0,6.0 70592,2724,-1,,,,0.0,MS1_match,KFXVNXQXPRPLQA-CQYQDAFJSA-N,"InChI=1S/C36H48N2O10/c1-6-37-17-33(18-48-31(41)19-9-7-8-10-22(19)38-25(39)11-12-26(38)40)14-13-24(45-3)35-21-15-20-23(44-2)16-34(42,27(21)28(20)46-4)36(43,32(35)37)30(47-5)29(33)35/h7-10,20-21,23-24,27-30,32,42-43H,6,11-18H2,1-5H3/t20-,21-,23+,24-,27-,28+,29-,30+,32+,33+,34-,35+,36-/m1/s1",CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)CCC3=O)CC[C@@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C36H48N2O10,pos_1_1proton1ethylamine,668.330895736,KFXVNXQXPRPLQA,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum gigas,1014251.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum gigas'],6,0,6.0 70593,2724,-1,,,,0.0,MS1_match,GFWYSOWSJXKFFQ-ITNXDDNLSA-N,"InChI=1S/C36H48N2O10/c1-6-37-16-33(17-48-31(42)19-9-7-8-10-22(19)38-25(39)13-18(2)30(38)41)12-11-24(46-4)35-21-14-20-23(45-3)15-34(43,26(21)27(20)40)36(44,32(35)37)29(47-5)28(33)35/h7-10,18,20-21,23-24,26-29,32,40,43-44H,6,11-17H2,1-5H3/t18-,20+,21+,23-,24-,26+,27-,28+,29-,32?,33-,34+,35-,36+/m0/s1",CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)C[C@H](C)C3=O)CC[C@H](OC)[C@]34C1[C@](O)([C@@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C36H48N2O10,pos_1_1proton1ethylamine,668.330895736,GFWYSOWSJXKFFQ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium macrocentrum,259368.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium macrocentrum'],6,0,6.0 70530,2723,-1,,,,0.0,MS1_match,XHCADAYNFIFUHF-UHFFFAOYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2",O=c1ccc2cc(OC3OC(CO)C(O)C(O)C3O)c(O)cc2o1,C15H16O9,pos_1_1proton1methanol,340.07943209199993,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Delphinium bicolor,591163.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium bicolor'],6,0,6.0 70531,2723,-1,,,,0.0,MS1_match,XHCADAYNFIFUHF-UHFFFAOYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2",O=c1ccc2cc(OC3OC(CO)C(O)C(O)C3O)c(O)cc2o1,C15H16O9,pos_1_1proton1methanol,340.07943209199993,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Delphinium nuttallianum,643524.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium nuttallianum'],6,0,6.0 70532,2723,-1,,,,0.0,MS1_match,XHCADAYNFIFUHF-UHFFFAOYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2",O=c1ccc2cc(OC3OC(CO)C(O)C(O)C3O)c(O)cc2o1,C15H16O9,pos_1_1proton1methanol,340.07943209199993,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Delphinium bicolor,591163.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium bicolor'],6,0,6.0 70533,2723,-1,,,,0.0,MS1_match,XHCADAYNFIFUHF-UHFFFAOYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2",O=c1ccc2cc(OC3OC(CO)C(O)C(O)C3O)c(O)cc2o1,C15H16O9,pos_1_1proton1methanol,340.07943209199993,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Delphinium nuttallianum,643524.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium nuttallianum'],6,0,6.0 70534,2723,-1,,,,0.0,MS1_match,XHCADAYNFIFUHF-UHFFFAOYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2",O=c1ccc2cc(OC3OC(CO)C(O)C(O)C3O)c(O)cc2o1,C15H16O9,pos_1_1proton1methanol,340.07943209199993,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Delphinium bicolor,591163.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium bicolor'],6,0,6.0 70535,2723,-1,,,,0.0,MS1_match,XHCADAYNFIFUHF-UHFFFAOYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2",O=c1ccc2cc(OC3OC(CO)C(O)C(O)C3O)c(O)cc2o1,C15H16O9,pos_1_1proton1methanol,340.07943209199993,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Delphinium nuttallianum,643524.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium nuttallianum'],6,0,6.0 70529,2716,244,Terpenoids,Steroids,Cholestane steroids,0.32334173,ISDB,,,,,,,BXFPGPRDNQSKKM,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.2933669090270996 69691,2714,-1,,,,0.27414262,ISDB,HKZQJZIFODOLFR-UHFFFAOYSA-N,"InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h6H,4-5H2,1-3H3",CC1=CC(=O)C(=C(C)C)CC1,C10H14O,,150.104465068,HKZQJZIFODOLFR,Terpenoids,Monoterpenoids,,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,8.096570491790771 69690,2712,1094,,,,0.53171355,ISDB,,,,,,,BIKJRUMCRBPQKR,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.126854181289673 69689,2706,1126,Alkaloids,Amino acid glycosides,Terpenoid alkaloids,0.0,MS1_match,MNQMVPGTCARFMJ-RXRFSQMPSA-N,"InChI=1S/C31H42N2O2/c1-27-6-3-7-30-23(27)5-9-29-18-21(17-28-8-4-22(34)16-26(28)32(2)11-10-28)20(14-24(29)30)15-25(29)31(30)33(19-27)12-13-35-31/h4,8,18,20,23-26H,3,5-7,9-17,19H2,1-2H3/t20-,23-,24-,25+,26+,27+,28+,29+,30+,31-/m1/s1",CN1CC[C@]2(CC3=C[C@@]45CC[C@@H]6[C@@]7(C)CCC[C@@]68[C@@H]4C[C@@H]3C[C@@H]5[C@@]83OCCN3C7)C=CC(=O)C[C@H]12,C31H42N2O2,pos_1_1proton1dmso,474.324628584,MNQMVPGTCARFMJ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum coreanum,377294.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum coreanum'],6,3,7.5 69676,2700,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,ABRULANJVVJLFI-DGHBBABESA-N,"InChI=1S/C22H22O10/c1-30-13-7-14-16(11(25)6-12(31-14)9-2-4-10(24)5-3-9)19(27)17(13)22-21(29)20(28)18(26)15(8-23)32-22/h2-7,15,18,20-24,26-29H,8H2,1H3/t15-,18-,20+,21-,22+/m1/s1",COc1cc2oc(-c3ccc(O)cc3)cc(=O)c2c(O)c1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C22H22O10,pos_1_1proton1methanol,446.1212969039999,ABRULANJVVJLFI,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Aquilegia oxysepala,949638.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Aquilegia'],['Aquilegia oxysepala'],6,2,7.0 69677,2700,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,ABRULANJVVJLFI-DGHBBABESA-N,"InChI=1S/C22H22O10/c1-30-13-7-14-16(11(25)6-12(31-14)9-2-4-10(24)5-3-9)19(27)17(13)22-21(29)20(28)18(26)15(8-23)32-22/h2-7,15,18,20-24,26-29H,8H2,1H3/t15-,18-,20+,21-,22+/m1/s1",COc1cc2oc(-c3ccc(O)cc3)cc(=O)c2c(O)c1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C22H22O10,pos_1_1proton1methanol,446.1212969039999,ABRULANJVVJLFI,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Aquilegia oxysepala,949638.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Aquilegia'],['Aquilegia oxysepala'],6,2,7.0 69678,2700,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,HHPLIFSIFJSIBY-UHJXJGFFSA-N,"InChI=1S/C22H22O10/c1-30-14-7-12(26)16-11(25)6-13(9-2-4-10(24)5-3-9)31-21(16)17(14)22-20(29)19(28)18(27)15(8-23)32-22/h2-7,15,18-20,22-24,26-29H,8H2,1H3/t15?,18-,19-,20?,22-/m0/s1",COc1cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1[C@@H]1OC(CO)[C@H](O)[C@H](O)C1O,C22H22O10,pos_1_1proton1methanol,446.121296904,HHPLIFSIFJSIBY,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Trollius chinensis,877307.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Adonideae'],['Trollius'],['Trollius chinensis'],6,2,7.0 69679,2700,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,HHPLIFSIFJSIBY-PGPONNFDSA-N,"InChI=1S/C22H22O10/c1-30-14-7-12(26)16-11(25)6-13(9-2-4-10(24)5-3-9)31-21(16)17(14)22-20(29)19(28)18(27)15(8-23)32-22/h2-7,15,18-20,22-24,26-29H,8H2,1H3/t15-,18-,19+,20-,22+/m1/s1",COc1cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C22H22O10,pos_1_1proton1methanol,446.1212969039999,HHPLIFSIFJSIBY,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Trollius ledebourii,841872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Adonideae'],['Trollius'],['Trollius ledebouri'],6,2,7.0 69680,2700,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,HHPLIFSIFJSIBY-RZDNYABWSA-N,"InChI=1S/C22H22O10/c1-30-14-7-12(26)16-11(25)6-13(9-2-4-10(24)5-3-9)31-21(16)17(14)22-20(29)19(28)18(27)15(8-23)32-22/h2-7,15,18-20,22-24,26-29H,8H2,1H3/t15-,18+,19-,20+,22-/m0/s1",COc1cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C22H22O10,pos_1_1proton1methanol,446.121296904,HHPLIFSIFJSIBY,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Trollius ledebouri,841872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Adonideae'],['Trollius'],['Trollius ledebouri'],6,2,7.0 69681,2700,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,HHPLIFSIFJSIBY-UHJXJGFFSA-N,"InChI=1S/C22H22O10/c1-30-14-7-12(26)16-11(25)6-13(9-2-4-10(24)5-3-9)31-21(16)17(14)22-20(29)19(28)18(27)15(8-23)32-22/h2-7,15,18-20,22-24,26-29H,8H2,1H3/t15?,18-,19-,20?,22-/m0/s1",COc1cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1[C@@H]1OC(CO)[C@H](O)[C@H](O)C1O,C22H22O10,pos_1_1proton1methanol,446.121296904,HHPLIFSIFJSIBY,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Trollius chinensis,877307.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Adonideae'],['Trollius'],['Trollius chinensis'],6,2,7.0 69682,2700,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,HHPLIFSIFJSIBY-PGPONNFDSA-N,"InChI=1S/C22H22O10/c1-30-14-7-12(26)16-11(25)6-13(9-2-4-10(24)5-3-9)31-21(16)17(14)22-20(29)19(28)18(27)15(8-23)32-22/h2-7,15,18-20,22-24,26-29H,8H2,1H3/t15-,18-,19+,20-,22+/m1/s1",COc1cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C22H22O10,pos_1_1proton1methanol,446.1212969039999,HHPLIFSIFJSIBY,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Trollius ledebourii,841872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Adonideae'],['Trollius'],['Trollius ledebouri'],6,2,7.0 69683,2700,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,HHPLIFSIFJSIBY-RZDNYABWSA-N,"InChI=1S/C22H22O10/c1-30-14-7-12(26)16-11(25)6-13(9-2-4-10(24)5-3-9)31-21(16)17(14)22-20(29)19(28)18(27)15(8-23)32-22/h2-7,15,18-20,22-24,26-29H,8H2,1H3/t15-,18+,19-,20+,22-/m0/s1",COc1cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C22H22O10,pos_1_1proton1methanol,446.121296904,HHPLIFSIFJSIBY,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Trollius ledebouri,841872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Adonideae'],['Trollius'],['Trollius ledebouri'],6,2,7.0 68809,2699,167,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.92449397,ISDB,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Patrinia rupestris,1035977.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia rupestris'],6,3,11.197975873947144 68779,2698,-1,,,,0.36790526,ISDB,MBWXNTAXLNYFJB-NKFFZRIASA-N,"InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+/t23-,24-/m1/s1",CC1=C(C/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=O)c2ccccc2C1=O,C31H46O2,,450.3497807119999,MBWXNTAXLNYFJB,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Camellia sinensis,1058509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Theaceae'],['Unknown'],['Camellia'],['Camellia sinensis'],4,0,5.471621036529541 68780,2698,-1,,,,0.36790526,ISDB,MBWXNTAXLNYFJB-LKUDQCMESA-N,"InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+",CC1=C(C/C=C(\C)CCCC(C)CCCC(C)CCCC(C)C)C(=O)c2ccccc2C1=O,C31H46O2,,450.3497807119999,MBWXNTAXLNYFJB,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Glycine max,681762.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Glycine max'],4,0,5.471621036529541 68781,2698,-1,,,,0.36790526,ISDB,MBWXNTAXLNYFJB-NKFFZRIASA-N,"InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+/t23-,24-/m1/s1",CC1=C(C/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=O)c2ccccc2C1=O,C31H46O2,,450.3497807119999,MBWXNTAXLNYFJB,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Daucus carota,372836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Scandiceae'],['Daucus'],['Daucus carota'],4,0,5.471621036529541 68782,2698,-1,,,,0.36790526,ISDB,MBWXNTAXLNYFJB-NKFFZRIASA-N,"InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+/t23-,24-/m1/s1",CC1=C(C/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=O)c2ccccc2C1=O,C31H46O2,,450.3497807119999,MBWXNTAXLNYFJB,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Apium graveolens,2472.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Apieae'],['Apium'],['Apium graveolens'],4,0,5.471621036529541 68783,2698,-1,,,,0.36790526,ISDB,MBWXNTAXLNYFJB-NKFFZRIASA-N,"InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+/t23-,24-/m1/s1",CC1=C(C/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=O)c2ccccc2C1=O,C31H46O2,,450.3497807119999,MBWXNTAXLNYFJB,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Cucumis sativus,1006246.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cucurbitales'],['Cucurbitaceae'],['Benincaseae'],['Cucumis'],['Cucumis sativus'],4,0,5.471621036529541 68784,2698,-1,,,,0.36790526,ISDB,MBWXNTAXLNYFJB-NKFFZRIASA-N,"InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+/t23-,24-/m1/s1",CC1=C(C/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=O)c2ccccc2C1=O,C31H46O2,,450.3497807119999,MBWXNTAXLNYFJB,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Calendula officinalis,768229.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Calenduleae'],['Calendula'],['Calendula officinalis'],4,0,5.471621036529541 68785,2698,-1,,,,0.36790526,ISDB,MBWXNTAXLNYFJB-NKFFZRIASA-N,"InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+/t23-,24-/m1/s1",CC1=C(C/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=O)c2ccccc2C1=O,C31H46O2,,450.3497807119999,MBWXNTAXLNYFJB,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Stachys annua,3882729.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Stachydeae'],['Stachys'],['Stachys annua'],4,0,5.471621036529541 68786,2698,-1,,,,0.36790526,ISDB,MBWXNTAXLNYFJB-NKFFZRIASA-N,"InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+/t23-,24-/m1/s1",CC1=C(C/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=O)c2ccccc2C1=O,C31H46O2,,450.3497807119999,MBWXNTAXLNYFJB,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Stachys officinalis,103745.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Betonica'],['Betonica officinalis'],4,0,5.471621036529541 68787,2698,-1,,,,0.36790526,ISDB,MBWXNTAXLNYFJB-NKFFZRIASA-N,"InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+/t23-,24-/m1/s1",CC1=C(C/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=O)c2ccccc2C1=O,C31H46O2,,450.3497807119999,MBWXNTAXLNYFJB,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Secale cereale,553015.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Secale'],['Secale cereale'],4,0,5.471621036529541 68788,2698,-1,,,,0.36790526,ISDB,MBWXNTAXLNYFJB-NKFFZRIASA-N,"InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+/t23-,24-/m1/s1",CC1=C(C/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=O)c2ccccc2C1=O,C31H46O2,,450.3497807119999,MBWXNTAXLNYFJB,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Ribes nigrum,248647.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Grossulariaceae'],['Unknown'],['Ribes'],['Ribes nigrum'],4,0,5.471621036529541 68789,2698,-1,,,,0.36790526,ISDB,MBWXNTAXLNYFJB-UHFFFAOYSA-N,"InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3",CC(=CCC1=C(C)C(=O)c2ccccc2C1=O)CCCC(C)CCCC(C)CCCC(C)C,C31H46O2,,450.349780712,MBWXNTAXLNYFJB,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Glycine,459704.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Unknown'],4,0,5.471621036529541 68790,2698,-1,,,,0.36790526,ISDB,MBWXNTAXLNYFJB-NKFFZRIASA-N,"InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+/t23-,24-/m1/s1",CC1=C(C/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=O)c2ccccc2C1=O,C31H46O2,,450.3497807119999,MBWXNTAXLNYFJB,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Coffea arabica,1001050.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Coffeeae'],['Coffea'],['Coffea arabica'],4,0,5.471621036529541 68791,2698,-1,,,,0.36790526,ISDB,MBWXNTAXLNYFJB-LKUDQCMESA-N,"InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+",CC1=C(C/C=C(\C)CCCC(C)CCCC(C)CCCC(C)C)C(=O)c2ccccc2C1=O,C31H46O2,,450.3497807119999,MBWXNTAXLNYFJB,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Prunus insititia,66998.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus angustifolia'],4,0,5.471621036529541 68792,2698,-1,,,,0.36790526,ISDB,MBWXNTAXLNYFJB-LKUDQCMESA-N,"InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+",CC1=C(C/C=C(\C)CCCC(C)CCCC(C)CCCC(C)C)C(=O)c2ccccc2C1=O,C31H46O2,,450.3497807119999,MBWXNTAXLNYFJB,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Prunus angustifolia,66998.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus angustifolia'],4,0,5.471621036529541 68793,2698,-1,,,,0.36790526,ISDB,MBWXNTAXLNYFJB-NKFFZRIASA-N,"InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+/t23-,24-/m1/s1",CC1=C(C/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=O)c2ccccc2C1=O,C31H46O2,,450.3497807119999,MBWXNTAXLNYFJB,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],4,0,5.471621036529541 68794,2698,-1,,,,0.36790526,ISDB,MBWXNTAXLNYFJB-NKFFZRIASA-N,"InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+/t23-,24-/m1/s1",CC1=C(C/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=O)c2ccccc2C1=O,C31H46O2,,450.3497807119999,MBWXNTAXLNYFJB,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Spinacia oleracea,317784.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Chenopodiaceae'],['Anserineae'],['Spinacia'],['Spinacia oleracea'],4,0,5.471621036529541 68795,2698,-1,,,,0.36790526,ISDB,MBWXNTAXLNYFJB-NKFFZRIASA-N,"InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+/t23-,24-/m1/s1",CC1=C(C/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=O)c2ccccc2C1=O,C31H46O2,,450.3497807119999,MBWXNTAXLNYFJB,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],4,0,5.471621036529541 68796,2698,-1,,,,0.36790526,ISDB,MBWXNTAXLNYFJB-NKFFZRIASA-N,"InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+/t23-,24-/m1/s1",CC1=C(C/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=O)c2ccccc2C1=O,C31H46O2,,450.3497807119999,MBWXNTAXLNYFJB,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Alhagi persarum,50446.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Hedysareae'],['Alhagi'],['Alhagi persarum'],4,0,5.471621036529541 68797,2698,-1,,,,0.36790526,ISDB,MBWXNTAXLNYFJB-NKFFZRIASA-N,"InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+/t23-,24-/m1/s1",CC1=C(C/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=O)c2ccccc2C1=O,C31H46O2,,450.3497807119999,MBWXNTAXLNYFJB,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Alhagi maurorum,809997.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Hedysareae'],['Alhagi'],['Alhagi maurorum'],4,0,5.471621036529541 68798,2698,-1,,,,0.36790526,ISDB,MBWXNTAXLNYFJB-LKUDQCMESA-N,"InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+",CC1=C(C/C=C(\C)CCCC(C)CCCC(C)CCCC(C)C)C(=O)c2ccccc2C1=O,C31H46O2,,450.3497807119999,MBWXNTAXLNYFJB,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Phaseolus vulgaris,825707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Phaseolus'],['Phaseolus vulgaris'],4,0,5.471621036529541 68799,2698,-1,,,,0.36790526,ISDB,MBWXNTAXLNYFJB-UHFFFAOYSA-N,"InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3",CC(=CCC1=C(C)C(=O)c2ccccc2C1=O)CCCC(C)CCCC(C)CCCC(C)C,C31H46O2,,450.349780712,MBWXNTAXLNYFJB,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Lactuca sativa,515700.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Lactuca'],['Lactuca sativa'],4,0,5.471621036529541 68800,2698,-1,,,,0.36790526,ISDB,MBWXNTAXLNYFJB-NKFFZRIASA-N,"InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+/t23-,24-/m1/s1",CC1=C(C/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=O)c2ccccc2C1=O,C31H46O2,,450.3497807119999,MBWXNTAXLNYFJB,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Cannabis sativa,84004.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Cannabaceae'],['Unknown'],['Cannabis'],['Cannabis sativa'],4,0,5.471621036529541 68801,2698,-1,,,,0.36790526,ISDB,MBWXNTAXLNYFJB-NKFFZRIASA-N,"InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+/t23-,24-/m1/s1",CC1=C(C/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=O)c2ccccc2C1=O,C31H46O2,,450.3497807119999,MBWXNTAXLNYFJB,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Perilla frutescens,295678.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Elsholtzieae'],['Perilla'],['Perilla frutescens'],4,0,5.471621036529541 68802,2698,-1,,,,0.36790526,ISDB,MBWXNTAXLNYFJB-UHFFFAOYSA-N,"InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3",CC(=CCC1=C(C)C(=O)c2ccccc2C1=O)CCCC(C)CCCC(C)CCCC(C)C,C31H46O2,,450.349780712,MBWXNTAXLNYFJB,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Brassica oleracea,833642.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica oleracea'],4,0,5.471621036529541 68803,2698,-1,,,,0.36790526,ISDB,MBWXNTAXLNYFJB-LKUDQCMESA-N,"InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+",CC1=C(C/C=C(\C)CCCC(C)CCCC(C)CCCC(C)C)C(=O)c2ccccc2C1=O,C31H46O2,,450.3497807119999,MBWXNTAXLNYFJB,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Aronia melanocarpa,62443.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Aronia'],['Aronia melanocarpa'],4,0,5.471621036529541 68804,2698,-1,,,,0.36790526,ISDB,MBWXNTAXLNYFJB-UHFFFAOYSA-N,"InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3",CC(=CCC1=C(C)C(=O)c2ccccc2C1=O)CCCC(C)CCCC(C)CCCC(C)C,C31H46O2,,450.349780712,MBWXNTAXLNYFJB,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Olea europaea,23729.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Oleaceae'],['Oleeae'],['Olea'],['Olea europaea'],4,0,5.471621036529541 68748,2695,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.46237677,ISDB,NFQCORXWZVREFM-JYCBUDTGSA-N,"InChI=1S/C43H58O6/c1-26(2)13-12-21-41(11)33(18-15-28(5)6)25-42(24-32(30(9)10)16-14-27(3)4)38(47)36(37(46)31-17-19-34(44)35(45)23-31)39(48)43(41,40(42)49)22-20-29(7)8/h13,15,17,19-20,23,32-33,44-46H,3,9,12,14,16,18,21-22,24-25H2,1-2,4-8,10-11H3/b37-36+/t32?,33-,41+,42-,43+/m0/s1",C=C(C)CCC(C[C@]12C[C@H](CC=C(C)C)[C@@](C)(CCC=C(C)C)[C@](CC=C(C)C)(C(=O)/C(=C(/O)c3ccc(O)c(O)c3)C1=O)C2=O)C(=C)C,C43H58O6,,670.423339576,NFQCORXWZVREFM,Polyketides,Meroterpenoids,Polyprenylated cyclic polyketides (Hop meroterpenoids),Symphonia globulifera,978306.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Clusiaceae'],['Symphonieae'],['Symphonia'],['Symphonia globulifera'],4,0,5.849507093429565 68641,2694,947,Fatty acids,Fatty acyls,Fatty ethers,0.5388961,ISDB,ZHADMZSKNJUERU-BWLZIVRNSA-N,"InChI=1S/C19H30O3/c1-3-4-5-6-8-11-14-17-22-18-15-12-9-7-10-13-16-19(20)21-2/h4-5,8,11,14-15,17-18H,3,6-7,9-10,12-13,16H2,1-2H3/b5-4-,11-8-,17-14+,18-15+",CC/C=C\C/C=C\C=C\O/C=C/CCCCCCC(=O)OC,C19H30O3,,306.21949482,ZHADMZSKNJUERU,Fatty acids,Fatty acyls,Fatty ethers,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],4,3,7.655584335327148 68640,2692,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,LSFCBUIGYCTVGI-UHFFFAOYSA-N,"InChI=1S/C26H28O14/c1-9-17(30)20(33)22(35)26(37-9)39-15-8-36-25(21(34)18(15)31)40-24-19(32)16-13(29)6-12(28)7-14(16)38-23(24)10-2-4-11(27)5-3-10/h2-7,9,15,17-18,20-22,25-31,33-35H,8H2,1H3",CC1OC(OC2COC(Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)C(O)C2O)C(O)C(O)C1O,C26H28O14,pos_1_1proton,564.147905576,LSFCBUIGYCTVGI,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euonymus alatus,601141.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus alatus'],7,3,8.5 68636,2691,178,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.32358602,ISDB,SOAPJKOPHBEWOH-UHFFFAOYSA-N,"InChI=1S/C12H16/c1-9-3-5-11-6-4-10(2)8-12(11)7-9/h3,5,7,10H,4,6,8H2,1-2H3",Cc1ccc2c(c1)CC(C)CC2,C12H16,,160.125200512,SOAPJKOPHBEWOH,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Camellia sinensis,1058509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Theaceae'],['Unknown'],['Camellia'],['Camellia sinensis'],4,0,5.294344067573547 68634,2687,-1,,,,0.0,MS1_match,VHUNCYDAXJGCLO-YAAMDAGVSA-N,"InChI=1S/C19H26O12/c1-27-17(26)8-4-2-3-5-10(8)30-19-16(25)14(23)13(22)11(31-19)7-29-18-15(24)12(21)9(20)6-28-18/h2-5,9,11-16,18-25H,6-7H2,1H3/t9-,11+,12-,13+,14-,15+,16+,18-,19+/m0/s1",COC(=O)c1ccccc1O[C@@H]1O[C@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C19H26O12,pos_1_1proton1acetonitrile,446.1424262719998,VHUNCYDAXJGCLO,,,,Salacia chinensis,380833.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Salacia'],['Salacia chinensis'],6,0,6.0 68635,2687,-1,,,,0.0,MS1_match,VHUNCYDAXJGCLO-YAAMDAGVSA-N,"InChI=1S/C19H26O12/c1-27-17(26)8-4-2-3-5-10(8)30-19-16(25)14(23)13(22)11(31-19)7-29-18-15(24)12(21)9(20)6-28-18/h2-5,9,11-16,18-25H,6-7H2,1H3/t9-,11+,12-,13+,14-,15+,16+,18-,19+/m0/s1",COC(=O)c1ccccc1O[C@@H]1O[C@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C19H26O12,pos_1_1proton1acetonitrile,446.1424262719998,VHUNCYDAXJGCLO,,,,Salacia chinensis,380833.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Salacia'],['Salacia chinensis'],6,0,6.0 68628,2678,199,Terpenoids,Diterpenoids,Guaiane sesquiterpenoids,0.32771087,ISDB,IJNCLRKOVHEQGU-MNWJJGSNSA-N,"InChI=1S/C25H40O8/c1-11(12(2)26)20(28)33-18-13-7-8-14-23(6,30)17-16-19(32-16)21(3,4)25(17,31)15(27)9-24(14,18)10-22(13,5)29/h11-19,26-27,29-31H,7-10H2,1-6H3/t11-,12+,13+,14-,15+,16-,17-,18+,19-,22+,23+,24-,25-/m0/s1",C[C@H](C(=O)O[C@@H]1[C@H]2CC[C@H]3[C@@](C)(O)[C@@H]4[C@@H]5O[C@@H]5C(C)(C)[C@]4(O)[C@H](O)C[C@@]13C[C@@]2(C)O)[C@@H](C)O,C25H40O8,,468.27231824,IJNCLRKOVHEQGU,Terpenoids,Diterpenoids,Grayanotoxane diterpenoids,Craibiodendron henryi,6049205.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ericaceae'],['Lyonieae'],['Craibiodendron'],['Craibiodendron henryi'],4,2,6.310843467712402 68617,2671,-1,,,,0.36024714,ISDB,XUJMHSCMPCZWOV-XDHAJMPNSA-N,"InChI=1S/C37H54O11/c1-17-12-37(29-34(7,47-29)30(42)48-37)46-20-13-32(5)22-9-8-21-31(3,4)23(45-28-27(41)26(40)19(39)15-43-28)10-11-35(21)16-36(22,35)14-24(44-18(2)38)33(32,6)25(17)20/h9,17,19-21,23-30,39-42H,8,10-16H2,1-7H3/t17-,19-,20+,21+,23-,24+,25+,26+,27-,28+,29-,30?,32+,33-,34+,35-,36?,37-/m1/s1",CC(=O)O[C@H]1CC23C[C@@]24CC[C@@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@@H]4CC=C3[C@]2(C)C[C@@H]3O[C@]4(C[C@@H](C)[C@@H]3[C@@]12C)OC(O)[C@@]1(C)O[C@@H]41,C37H54O11,,674.366612548,XUJMHSCMPCZWOV,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Actaea simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],0,0,1.440988540649414 68618,2671,-1,,,,0.36024714,ISDB,XUJMHSCMPCZWOV-XDHAJMPNSA-N,"InChI=1S/C37H54O11/c1-17-12-37(29-34(7,47-29)30(42)48-37)46-20-13-32(5)22-9-8-21-31(3,4)23(45-28-27(41)26(40)19(39)15-43-28)10-11-35(21)16-36(22,35)14-24(44-18(2)38)33(32,6)25(17)20/h9,17,19-21,23-30,39-42H,8,10-16H2,1-7H3/t17-,19-,20+,21+,23-,24+,25+,26+,27-,28+,29-,30?,32+,33-,34+,35-,36?,37-/m1/s1",CC(=O)O[C@H]1CC23C[C@@]24CC[C@@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@@H]4CC=C3[C@]2(C)C[C@@H]3O[C@]4(C[C@@H](C)[C@@H]3[C@@]12C)OC(O)[C@@]1(C)O[C@@H]41,C37H54O11,,674.366612548,XUJMHSCMPCZWOV,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Cimicifuga simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],0,0,1.440988540649414 68619,2671,-1,,,,0.36024714,ISDB,XUJMHSCMPCZWOV-XDHAJMPNSA-N,"InChI=1S/C37H54O11/c1-17-12-37(29-34(7,47-29)30(42)48-37)46-20-13-32(5)22-9-8-21-31(3,4)23(45-28-27(41)26(40)19(39)15-43-28)10-11-35(21)16-36(22,35)14-24(44-18(2)38)33(32,6)25(17)20/h9,17,19-21,23-30,39-42H,8,10-16H2,1-7H3/t17-,19-,20+,21+,23-,24+,25+,26+,27-,28+,29-,30?,32+,33-,34+,35-,36?,37-/m1/s1",CC(=O)O[C@H]1CC23C[C@@]24CC[C@@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@@H]4CC=C3[C@]2(C)C[C@@H]3O[C@]4(C[C@@H](C)[C@@H]3[C@@]12C)OC(O)[C@@]1(C)O[C@@H]41,C37H54O11,,674.366612548,XUJMHSCMPCZWOV,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Actaea racemosa,512702.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea racemosa'],0,0,1.440988540649414 68620,2671,-1,,,,0.36024714,ISDB,XUJMHSCMPCZWOV-XDHAJMPNSA-N,"InChI=1S/C37H54O11/c1-17-12-37(29-34(7,47-29)30(42)48-37)46-20-13-32(5)22-9-8-21-31(3,4)23(45-28-27(41)26(40)19(39)15-43-28)10-11-35(21)16-36(22,35)14-24(44-18(2)38)33(32,6)25(17)20/h9,17,19-21,23-30,39-42H,8,10-16H2,1-7H3/t17-,19-,20+,21+,23-,24+,25+,26+,27-,28+,29-,30?,32+,33-,34+,35-,36?,37-/m1/s1",CC(=O)O[C@H]1CC23C[C@@]24CC[C@@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@@H]4CC=C3[C@]2(C)C[C@@H]3O[C@]4(C[C@@H](C)[C@@H]3[C@@]12C)OC(O)[C@@]1(C)O[C@@H]41,C37H54O11,,674.366612548,XUJMHSCMPCZWOV,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Actaea elata,988729.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea elata'],0,0,1.440988540649414 68621,2671,-1,,,,0.36024714,ISDB,XUJMHSCMPCZWOV-XDHAJMPNSA-N,"InChI=1S/C37H54O11/c1-17-12-37(29-34(7,47-29)30(42)48-37)46-20-13-32(5)22-9-8-21-31(3,4)23(45-28-27(41)26(40)19(39)15-43-28)10-11-35(21)16-36(22,35)14-24(44-18(2)38)33(32,6)25(17)20/h9,17,19-21,23-30,39-42H,8,10-16H2,1-7H3/t17-,19-,20+,21+,23-,24+,25+,26+,27-,28+,29-,30?,32+,33-,34+,35-,36?,37-/m1/s1",CC(=O)O[C@H]1CC23C[C@@]24CC[C@@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@@H]4CC=C3[C@]2(C)C[C@@H]3O[C@]4(C[C@@H](C)[C@@H]3[C@@]12C)OC(O)[C@@]1(C)O[C@@H]41,C37H54O11,,674.366612548,XUJMHSCMPCZWOV,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Actaea cimicifuga,988720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea cimicifuga'],0,0,1.440988540649414 68592,2666,264,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.32516986,ISDB,ZNJCOKLSWJWJJU-NYNLCMDTSA-N,"InChI=1S/C14H16O3/c1-7-5-13-10(8(2)14(16)17-13)6-11-9(7)3-4-12(11)15/h7,10,13H,2-6H2,1H3/t7-,10+,13-/m0/s1",C=C1C(=O)O[C@H]2C[C@H](C)C3=C(C[C@H]12)C(=O)CC3,C14H16O3,,232.109944372,ZNJCOKLSWJWJJU,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Mikania mendocina,7604044.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Mikania'],['Mikania mendocina'],4,3,6.800679445266724 68590,2665,-1,,,,0.2732222,ISDB,,,,,,,IEUNGVZFLKERGL,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.0928888320922852 68568,2664,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.4249283,ISDB,SZNQPFAEOXCITM-PWBFPFQSSA-N,"InChI=1S/C12H22O3/c1-5-10(9(2)3)6-7-12(4,15)8-11(13)14/h6-7,9-10,15H,5,8H2,1-4H3,(H,13,14)/b7-6+/t10-,12-/m1/s1",CC[C@H](/C=C/[C@@](C)(O)CC(=O)O)C(C)C,C12H22O3,,214.156894564,SZNQPFAEOXCITM,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],4,0,5.699713230133057 68550,2659,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IQPNAANSBPBGFQ-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IQPNAANSBPBGFQ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Lonicera macrantha,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],8,2,9.0 68551,2659,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IQPNAANSBPBGFQ-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IQPNAANSBPBGFQ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],8,2,9.0 68383,2658,96,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.5230016,ISDB,QPJPDAWUDLZIDJ-UHFFFAOYSA-N,"InChI=1S/C20H22O5/c1-5-6-13-10-20(25-4)11(2)16(17(18(13)22)19(20)23)12-7-8-14(21)15(9-12)24-3/h5,7-11,16-17,21H,1,6H2,2-4H3",C=CCC1=CC2(OC)C(=O)C(C1=O)C(c1ccc(O)c(OC)c1)C2C,C20H22O5,,342.146723804,QPJPDAWUDLZIDJ,Shikimates and Phenylpropanoids,Lignans,Neolignans,Magnolia liliiflora,288469.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia liliiflora'],0,3,3.5920064449310303 68306,2656,205,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.67390805,ISDB,ZBKFZIUKXTWQTP-QGZVFWFLSA-N,"InChI=1S/C19H23NO3/c1-20-9-8-14-11-18(22-2)19(23-3)12-16(14)17(20)10-13-4-6-15(21)7-5-13/h4-7,11-12,17,21H,8-10H2,1-3H3/t17-/m1/s1",COc1cc2c(cc1OC)[C@@H](Cc1ccc(O)cc1)N(C)CC2,C19H23NO3,,313.167793596,ZBKFZIUKXTWQTP,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Aconitum variegatum,586783.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum variegatum'],6,3,10.195632219314575 68307,2656,205,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.67390805,ISDB,ZBKFZIUKXTWQTP-QGZVFWFLSA-N,"InChI=1S/C19H23NO3/c1-20-9-8-14-11-18(22-2)19(23-3)12-16(14)17(20)10-13-4-6-15(21)7-5-13/h4-7,11-12,17,21H,8-10H2,1-3H3/t17-/m1/s1",COc1cc2c(cc1OC)[C@@H](Cc1ccc(O)cc1)N(C)CC2,C19H23NO3,,313.167793596,ZBKFZIUKXTWQTP,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Thalictrum flavum,250783.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum flavum'],6,3,10.195632219314575 68299,2654,58,Polyketides,Glycerolipids,Glycosyldiacylglycerols,0.38075995,ISDB,MAIRBOUIUZTTQK-UHFFFAOYSA-N,"InChI=1S/C39H62O5/c1-4-6-8-10-12-14-16-18-20-22-24-26-31-28-32(40)29-34(41)37(31)38-33(39(43)36(44-3)30-35(38)42)27-25-23-21-19-17-15-13-11-9-7-5-2/h28-30,40-41H,4-27H2,1-3H3",CCCCCCCCCCCCCC1=C(c2c(O)cc(O)cc2CCCCCCCCCCCCC)C(=O)C=C(OC)C1=O,C39H62O5,,610.459725084,MAIRBOUIUZTTQK,Polyketides,Aromatic polyketides,Catechols with side chains,Ardisia brevicaulis,223967.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Primulaceae'],['Unknown'],['Ardisia'],['Ardisia brevicaulis'],4,1,6.023039817810059 68290,2648,-1,,,,0.0,MS1_match,WQSDYZZEIBAPIN-VBQORRLJSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+/t10-,12-,13+,14-,15+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O9,pos_2MK,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis tashiroi,21287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tashiroi'],8,0,8.0 68291,2648,-1,,,,0.0,MS1_match,WQSDYZZEIBAPIN-VBQORRLJSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+/t10-,12-,13+,14-,15+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O9,pos_2MK,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis tashiroi,21287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tashiroi'],8,0,8.0 68292,2648,-1,,,,0.0,MS1_match,WQSDYZZEIBAPIN-VBQORRLJSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+/t10-,12-,13+,14-,15+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O9,pos_2MK,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis tashiroi,21287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tashiroi'],8,0,8.0 68293,2648,-1,,,,0.0,MS1_match,OHEYCHKLBCPRLZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(24-10)23-9-3-1-7(5-8(9)17)2-4-11(18)19/h1-5,10,12-17,20-22H,6H2,(H,18,19)/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1,C15H18O9,pos_2MK,342.09508215599993,OHEYCHKLBCPRLZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis tashiroi,21287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tashiroi'],8,0,8.0 68294,2648,-1,,,,0.0,MS1_match,OHEYCHKLBCPRLZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(24-10)23-9-3-1-7(5-8(9)17)2-4-11(18)19/h1-5,10,12-17,20-22H,6H2,(H,18,19)/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1,C15H18O9,pos_2MK,342.09508215599993,OHEYCHKLBCPRLZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis tashiroi,21287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tashiroi'],8,0,8.0 68295,2648,-1,,,,0.0,MS1_match,OHEYCHKLBCPRLZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(24-10)23-9-3-1-7(5-8(9)17)2-4-11(18)19/h1-5,10,12-17,20-22H,6H2,(H,18,19)/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1,C15H18O9,pos_2MK,342.09508215599993,OHEYCHKLBCPRLZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis tashiroi,21287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tashiroi'],8,0,8.0 68296,2648,-1,,,,0.0,MS1_match,JVVFTHAOTNXPOZ-SSLCBRODSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_2MK,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis tashiroi,21287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tashiroi'],8,0,8.0 68297,2648,-1,,,,0.0,MS1_match,JVVFTHAOTNXPOZ-SSLCBRODSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_2MK,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis tashiroi,21287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tashiroi'],8,0,8.0 68298,2648,-1,,,,0.0,MS1_match,NEVMWOQJRSZYIC-UUANRDTJSA-N,"InChI=1S/C30H36O18/c1-39-13-5-11-6-14(40-2)25(13)47-29-23(35)21(33)19(31)17(45-29)10-44-28(38)12-7-15(41-3)26(16(8-12)42-4)48-30-24(36)22(34)20(32)18(46-30)9-43-27(11)37/h5-8,17-24,29-36H,9-10H2,1-4H3/t17-,18-,19-,20-,21+,22+,23-,24-,29+,30+/m1/s1",COc1cc2cc(OC)c1O[C@@H]1O[C@H](COC(=O)c3cc(OC)c(c(OC)c3)O[C@@H]3O[C@H](COC2=O)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]1O,C30H36O18,pos_1_1potassium,684.190164312,NEVMWOQJRSZYIC,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Clematis hexapetala,226633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis hexapetala'],8,0,8.0 68282,2647,-1,,,,0.0,MS1_match,JQSWONSGJKJQOF-XLWMKBOPSA-N,"InChI=1S/C36H56O10/c1-17-14-18-27(31(4,5)42)46-36(45-18)26(17)32(6)12-13-35-16-34(35)11-10-22(44-28-25(40)24(39)23(38)19(15-37)43-28)30(2,3)20(34)8-9-21(35)33(32,7)29(36)41/h9,17-20,22-29,37-42H,8,10-16H2,1-7H3/t17-,18-,19-,20-,22+,23+,24+,25-,26-,27+,28+,29-,32-,33-,34-,35+,36+/m1/s1",C[C@@H]1C[C@H]2O[C@]3(O[C@@H]2C(C)(C)O)[C@H]1[C@@]1(C)CC[C@@]24C[C@@]25CC[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@H]5CC=C4[C@]1(C)[C@H]3O,C36H56O10,pos_2_2sodium,648.387347992,JQSWONSGJKJQOF,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Actaea simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],6,0,6.0 68283,2647,-1,,,,0.0,MS1_match,JQSWONSGJKJQOF-XLWMKBOPSA-N,"InChI=1S/C36H56O10/c1-17-14-18-27(31(4,5)42)46-36(45-18)26(17)32(6)12-13-35-16-34(35)11-10-22(44-28-25(40)24(39)23(38)19(15-37)43-28)30(2,3)20(34)8-9-21(35)33(32,7)29(36)41/h9,17-20,22-29,37-42H,8,10-16H2,1-7H3/t17-,18-,19-,20-,22+,23+,24+,25-,26-,27+,28+,29-,32-,33-,34-,35+,36+/m1/s1",C[C@@H]1C[C@H]2O[C@]3(O[C@@H]2C(C)(C)O)[C@H]1[C@@]1(C)CC[C@@]24C[C@@]25CC[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@H]5CC=C4[C@]1(C)[C@H]3O,C36H56O10,pos_2_2sodium,648.387347992,JQSWONSGJKJQOF,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Cimicifuga simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],6,0,6.0 68284,2647,-1,,,,0.0,MS1_match,MGTJNQWIXFSPLC-DMCHUPBKSA-N,"InChI=1S/C35H49NO12/c1-8-36-15-32(16-42-3)21(38)13-22(44-5)34-20-14-33(41)29(47-31(40)18-9-11-19(43-4)12-10-18)23(20)35(48-17(2)37,28(39)30(33)46-7)24(27(34)36)25(45-6)26(32)34/h9-12,20-30,38-39,41H,8,13-16H2,1-7H3/t20-,21-,22+,23-,24+,25+,26-,27-,28+,29-,30+,32+,33-,34+,35-/m1/s1",CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@@]34[C@@H]5C[C@@]6(O)[C@H](OC(=O)c7ccc(OC)cc7)[C@@H]5[C@@](OC(C)=O)([C@@H]([C@H](OC)[C@H]23)[C@@H]14)[C@@H](O)[C@@H]6OC,C35H49NO12,pos_2_2proton1ammonium,675.3254760079999,MGTJNQWIXFSPLC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum japonicum,5511352.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum japonicum'],6,0,6.0 68285,2647,-1,,,,0.0,MS1_match,MGTJNQWIXFSPLC-DMCHUPBKSA-N,"InChI=1S/C35H49NO12/c1-8-36-15-32(16-42-3)21(38)13-22(44-5)34-20-14-33(41)29(47-31(40)18-9-11-19(43-4)12-10-18)23(20)35(48-17(2)37,28(39)30(33)46-7)24(27(34)36)25(45-6)26(32)34/h9-12,20-30,38-39,41H,8,13-16H2,1-7H3/t20-,21-,22+,23-,24+,25+,26-,27-,28+,29-,30+,32+,33-,34+,35-/m1/s1",CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@@]34[C@@H]5C[C@@]6(O)[C@H](OC(=O)c7ccc(OC)cc7)[C@@H]5[C@@](OC(C)=O)([C@@H]([C@H](OC)[C@H]23)[C@@H]14)[C@@H](O)[C@@H]6OC,C35H49NO12,pos_2_2proton1ammonium,675.3254760079999,MGTJNQWIXFSPLC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum variegatum,586783.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum variegatum'],6,0,6.0 68286,2647,-1,,,,0.0,MS1_match,MGTJNQWIXFSPLC-DMCHUPBKSA-N,"InChI=1S/C35H49NO12/c1-8-36-15-32(16-42-3)21(38)13-22(44-5)34-20-14-33(41)29(47-31(40)18-9-11-19(43-4)12-10-18)23(20)35(48-17(2)37,28(39)30(33)46-7)24(27(34)36)25(45-6)26(32)34/h9-12,20-30,38-39,41H,8,13-16H2,1-7H3/t20-,21-,22+,23-,24+,25+,26-,27-,28+,29-,30+,32+,33-,34+,35-/m1/s1",CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@@]34[C@@H]5C[C@@]6(O)[C@H](OC(=O)c7ccc(OC)cc7)[C@@H]5[C@@](OC(C)=O)([C@@H]([C@H](OC)[C@H]23)[C@@H]14)[C@@H](O)[C@@H]6OC,C35H49NO12,pos_2_2proton1ammonium,675.3254760079999,MGTJNQWIXFSPLC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum,756111.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Unknown'],6,0,6.0 68287,2647,-1,,,,0.0,MS1_match,MGTJNQWIXFSPLC-DMCHUPBKSA-N,"InChI=1S/C35H49NO12/c1-8-36-15-32(16-42-3)21(38)13-22(44-5)34-20-14-33(41)29(47-31(40)18-9-11-19(43-4)12-10-18)23(20)35(48-17(2)37,28(39)30(33)46-7)24(27(34)36)25(45-6)26(32)34/h9-12,20-30,38-39,41H,8,13-16H2,1-7H3/t20-,21-,22+,23-,24+,25+,26-,27-,28+,29-,30+,32+,33-,34+,35-/m1/s1",CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@@]34[C@@H]5C[C@@]6(O)[C@H](OC(=O)c7ccc(OC)cc7)[C@@H]5[C@@](OC(C)=O)([C@@H]([C@H](OC)[C@H]23)[C@@H]14)[C@@H](O)[C@@H]6OC,C35H49NO12,pos_2_2proton1ammonium,675.3254760079999,MGTJNQWIXFSPLC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum sachalinense,1064657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum sachalinense'],6,0,6.0 68288,2647,-1,,,,0.0,MS1_match,MGTJNQWIXFSPLC-DMCHUPBKSA-N,"InChI=1S/C35H49NO12/c1-8-36-15-32(16-42-3)21(38)13-22(44-5)34-20-14-33(41)29(47-31(40)18-9-11-19(43-4)12-10-18)23(20)35(48-17(2)37,28(39)30(33)46-7)24(27(34)36)25(45-6)26(32)34/h9-12,20-30,38-39,41H,8,13-16H2,1-7H3/t20-,21-,22+,23-,24+,25+,26-,27-,28+,29-,30+,32+,33-,34+,35-/m1/s1",CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@@]34[C@@H]5C[C@@]6(O)[C@H](OC(=O)c7ccc(OC)cc7)[C@@H]5[C@@](OC(C)=O)([C@@H]([C@H](OC)[C@H]23)[C@@H]14)[C@@H](O)[C@@H]6OC,C35H49NO12,pos_2_2proton1ammonium,675.3254760079999,MGTJNQWIXFSPLC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum carmichaelii,549536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum carmichaelii'],6,0,6.0 68289,2647,-1,,,,0.0,MS1_match,NGQFJGJYHKQJFM-OOHMBUEHSA-N,"InChI=1S/C35H49NO12/c1-8-36-15-32(16-42-3)26-25(45-6)23-27(36)35(26,30(46-7)24(38)28(32)39)20-13-33(41)21(44-5)14-34(23,48-17(2)37)22(20)29(33)47-31(40)18-9-11-19(43-4)12-10-18/h9-12,20-30,38-39,41H,8,13-16H2,1-7H3/t20-,21+,22-,23+,24-,25+,26-,27-,28-,29-,30+,32-,33+,34-,35+/m1/s1",CCN1C[C@]2(COC)[C@H](O)[C@@H](O)[C@H](OC)[C@@]34[C@@H]5C[C@]6(O)[C@@H](OC)C[C@@](OC(C)=O)([C@H]5[C@H]6OC(=O)c5ccc(OC)cc5)[C@@H]([C@H](OC)[C@H]23)[C@@H]14,C35H49NO12,pos_2_2proton1ammonium,675.3254760079999,NGQFJGJYHKQJFM,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum transsectum,909685.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum transsectum'],6,0,6.0 68253,2646,43,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,RODXRVNMMDRFIK-UHFFFAOYSA-N,"InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3",COc1cc2ccc(=O)oc2cc1O,C10H8O4,pos_1_1proton,192.042258736,RODXRVNMMDRFIK,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Lonicera hypoleuca,5746397.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera hypoleuca'],7,3,8.5 68246,2645,73,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.40602916,ISDB,FSMNQWHKVQFXMJ-NRYKUPCLSA-N,"InChI=1S/C36H54O11/c1-31(30(44)45)15-19-18-7-8-21-33(3)11-10-23(46-29-26(41)24(39)25(40)27(47-29)28(42)43)34(4,17-37)20(33)9-12-36(21,6)35(18,5)14-13-32(19,2)22(38)16-31/h7,19-21,23-27,29,37,39-41H,8-17H2,1-6H3,(H,42,43)(H,44,45)/t19-,20+,21+,23-,24-,25-,26+,27-,29+,31-,32+,33-,34+,35+,36+/m0/s1",C[C@@]1(C(=O)O)CC(=O)[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C36H54O11,,662.366612548,FSMNQWHKVQFXMJ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Trifolium repens,116218.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Trifolium'],['Trifolium repens'],0,3,3.1241166591644287 68236,2642,-1,,,,0.0,MS1_match,FILRFEXGRQEKMM-ZYAMGDOSSA-N,"InChI=1S/C16H26O9/c1-6-7-3-10(16(2,22)14(7)23-5-8(6)18)25-15-13(21)12(20)11(19)9(4-17)24-15/h6-7,9-15,17,19-22H,3-5H2,1-2H3/t6-,7-,9-,10+,11-,12+,13-,14+,15+,16-/m1/s1",C[C@H]1C(=O)CO[C@H]2[C@@H]1C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@]2(C)O,C16H26O9,pos_1_1proton1acetonitrile,362.157682412,FILRFEXGRQEKMM,Terpenoids,Monoterpenoids,,Patrinia scabra,68239.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia scabra'],6,0,6.0 68237,2642,-1,,,,0.0,MS1_match,DPBCFTHDJGXWRI-ZYAMGDOSSA-N,"InChI=1S/C16H26O9/c1-6-7-3-10(19)16(2,14(7)23-5-8(6)18)25-15-13(22)12(21)11(20)9(4-17)24-15/h6-7,9-15,17,19-22H,3-5H2,1-2H3/t6-,7-,9-,10+,11-,12+,13-,14+,15+,16-/m1/s1",C[C@H]1C(=O)CO[C@H]2[C@@H]1C[C@H](O)[C@@]2(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H26O9,pos_1_1proton1acetonitrile,362.157682412,DPBCFTHDJGXWRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia scabra,68239.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia scabra'],6,0,6.0 68238,2642,-1,,,,0.0,MS1_match,DBLVGADGVDUSHJ-XBNYBDERSA-N,"InChI=1S/C16H26O9/c1-6-7-3-10(18)16(2,8(7)5-23-14(6)22)25-15-13(21)12(20)11(19)9(4-17)24-15/h6-13,15,17-21H,3-5H2,1-2H3/t6-,7-,8+,9-,10+,11-,12+,13-,15+,16+/m1/s1",C[C@H]1C(=O)OC[C@H]2[C@@H]1C[C@H](O)[C@@]2(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H26O9,pos_1_1proton1acetonitrile,362.157682412,DBLVGADGVDUSHJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia scabra,68239.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia scabra'],6,0,6.0 68239,2642,-1,,,,0.0,MS1_match,DBLVGADGVDUSHJ-RLIMOHGTSA-N,"InChI=1S/C16H26O9/c1-6-7-3-10(18)16(2,8(7)5-23-14(6)22)25-15-13(21)12(20)11(19)9(4-17)24-15/h6-13,15,17-21H,3-5H2,1-2H3/t6-,7+,8-,9-,10+,11-,12+,13-,15+,16+/m1/s1",C[C@H]1C(=O)OC[C@@H]2[C@H]1C[C@H](O)[C@@]2(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H26O9,pos_1_1proton1acetonitrile,362.157682412,DBLVGADGVDUSHJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia villosa,971855.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia villosa'],6,0,6.0 68240,2642,-1,,,,0.0,MS1_match,RAKWYUWXLTYDQR-LTPIHACHSA-N,"InChI=1S/C16H26O9/c1-6-7-2-10(8(3-17)9(7)5-23-15(6)22)24-16-14(21)13(20)12(19)11(4-18)25-16/h6-14,16-21H,2-5H2,1H3/t6-,7-,8-,9+,10+,11-,12-,13+,14-,16-/m1/s1",C[C@H]1C(=O)OC[C@@H]2[C@@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C[C@@H]21,C16H26O9,pos_1_1proton1acetonitrile,362.157682412,RAKWYUWXLTYDQR,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia gibbosa,231859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia gibbosa'],6,0,6.0 68241,2642,-1,,,,0.0,MS1_match,ZHEBCILICLSWEG-XBNYBDERSA-N,"InChI=1S/C16H26O9/c1-6-7-3-10(16(2,22)8(7)5-23-14(6)21)25-15-13(20)12(19)11(18)9(4-17)24-15/h6-13,15,17-20,22H,3-5H2,1-2H3/t6-,7-,8+,9-,10+,11-,12+,13-,15+,16+/m1/s1",C[C@H]1C(=O)OC[C@H]2[C@@H]1C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@]2(C)O,C16H26O9,pos_1_1proton1acetonitrile,362.15768241199993,ZHEBCILICLSWEG,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia scabra,68239.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia scabra'],6,0,6.0 68242,2642,-1,,,,0.0,MS1_match,ZHEBCILICLSWEG-XBNYBDERSA-N,"InChI=1S/C16H26O9/c1-6-7-3-10(16(2,22)8(7)5-23-14(6)21)25-15-13(20)12(19)11(18)9(4-17)24-15/h6-13,15,17-20,22H,3-5H2,1-2H3/t6-,7-,8+,9-,10+,11-,12+,13-,15+,16+/m1/s1",C[C@H]1C(=O)OC[C@H]2[C@@H]1C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@]2(C)O,C16H26O9,pos_1_1proton1acetonitrile,362.15768241199993,ZHEBCILICLSWEG,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia scabra,68239.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia scabra'],6,0,6.0 68169,2641,888,Terpenoids,Diterpenoids,Abietane diterpenoids,0.40865323,ISDB,JVRVYDCPTHHIGR-UHFFFAOYSA-N,"InChI=1S/C19H28O2/c1-11(2)14-10-12-7-8-15-13(6-5-9-19(15,3)4)16(12)18(21)17(14)20/h10-11,13,15,20-21H,5-9H2,1-4H3",CC(C)c1cc2c(c(O)c1O)C1CCCC(C)(C)C1CC2,C19H28O2,,288.208930136,JVRVYDCPTHHIGR,Terpenoids,Diterpenoids,Abietane diterpenoids,Rosmarinus officinalis,778824.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia rosmarinus'],4,3,7.1346129179000854 68168,2632,-1,,,,0.0,MS1_match,ASKNNOPNSQXQPY-XIBVQPFYSA-N,"InChI=1S/C28H30O16/c1-10(29)41-25-15(33)8-39-27(23(25)38)40-9-17-19(34)21(36)22(37)28(43-17)44-26-20(35)18-14(32)6-13(31)7-16(18)42-24(26)11-2-4-12(30)5-3-11/h2-7,15,17,19,21-23,25,27-28,30-34,36-38H,8-9H2,1H3/t15-,17+,19+,21-,22+,23-,25-,27-,28-/m0/s1",CC(=O)O[C@@H]1[C@H](O)[C@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)OC[C@@H]1O,C28H30O16,pos_2_1proton1sodium,622.15338488,ASKNNOPNSQXQPY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Thalictrum atriplex,871204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum atriplex'],6,0,6.0 68166,2624,-1,,,,0.0,MS1_match,HKMDHBXRMZEVHY-UHFFFAOYSA-N,"InChI=1S/C16H26O8/c1-7-8-3-4-16(2,9(8)6-22-14(7)21)24-15-13(20)12(19)11(18)10(5-17)23-15/h7-13,15,17-20H,3-6H2,1-2H3",CC1C(=O)OCC2C1CCC2(C)OC1OC(CO)C(O)C(O)C1O,C16H26O8,pos_3_1proton2sodium,346.1627677919999,HKMDHBXRMZEVHY,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia scabra,68239.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia scabra'],6,0,6.0 68167,2624,-1,,,,0.0,MS1_match,PLSSBWGEYMENGJ-XLIFQNPRSA-N,"InChI=1S/C16H26O8/c1-7-2-3-9-8(5-22-15(21)11(7)9)6-23-16-14(20)13(19)12(18)10(4-17)24-16/h7-14,16-20H,2-6H2,1H3/t7-,8+,9+,10+,11+,12+,13+,14-,16+/m0/s1",C[C@H]1CC[C@@H]2[C@@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)COC(=O)[C@@H]21,C16H26O8,pos_3_1proton2sodium,346.162767792,PLSSBWGEYMENGJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia villosa,971855.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia villosa'],6,0,6.0 68056,2617,947,Fatty acids,Fatty acyls,Fatty ethers,0.54588467,ISDB,ZHADMZSKNJUERU-BWLZIVRNSA-N,"InChI=1S/C19H30O3/c1-3-4-5-6-8-11-14-17-22-18-15-12-9-7-10-13-16-19(20)21-2/h4-5,8,11,14-15,17-18H,3,6-7,9-10,12-13,16H2,1-2H3/b5-4-,11-8-,17-14+,18-15+",CC/C=C\C/C=C\C=C\O/C=C/CCCCCCC(=O)OC,C19H30O3,,306.21949482,ZHADMZSKNJUERU,Fatty acids,Fatty acyls,Fatty ethers,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],4,3,7.6835386753082275 68017,2614,-1,,,,0.509751,ISDB,VHVLBZCVJBGAGR-UHFFFAOYSA-N,"InChI=1S/C9H12O/c10-9-6-2-4-7-3-1-5-8(7)9/h5,7H,1-4,6H2",O=C1CCCC2CCC=C12,C9H12O,,136.088815004,VHVLBZCVJBGAGR,,,,Nepeta nepetella,482710.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Nepeta'],['Nepeta nepetella'],4,0,6.03900408744812 68001,2612,-1,,,,0.0,MS1_match,QAIPRVGONGVQAS-DUXPYHPUSA-N,"InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+",O=C(O)/C=C/c1ccc(O)c(O)c1,C9H8O4,pos_1_1proton1ammonium,180.042258736,QAIPRVGONGVQAS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis vitalba,756499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis vitalba'],8,0,8.0 68002,2612,-1,,,,0.0,MS1_match,QAIPRVGONGVQAS-UHFFFAOYSA-N,"InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)",O=C(O)C=Cc1ccc(O)c(O)c1,C9H8O4,pos_1_1proton1ammonium,180.042258736,QAIPRVGONGVQAS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis delavayi,72769.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis delavayi'],8,0,8.0 68003,2612,-1,,,,0.0,MS1_match,KKADPXVIOXHVKN-UHFFFAOYSA-N,"InChI=1S/C9H8O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,10H,5H2,(H,12,13)",O=C(O)C(=O)Cc1ccc(O)cc1,C9H8O4,pos_1_1proton1ammonium,180.042258736,KKADPXVIOXHVKN,Shikimates and Phenylpropanoids,,,Clematis parviloba,5737758.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis parviloba'],8,0,8.0 67985,2610,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.6989405,ISDB,YJFOZRTWRVNHOG-UHFFFAOYSA-N,"InChI=1S/C13H16/c1-9-7-8-11(3)13-10(2)5-4-6-12(9)13/h4,6-8,10H,5H2,1-3H3",Cc1ccc(C)c2c1C=CCC2C,C13H16,,172.125200512,YJFOZRTWRVNHOG,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Cistus creticus,595858.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Cistaceae'],['Unknown'],['Cistus'],['Cistus creticus'],4,3,8.295762062072754 67983,2608,-1,,,,0.32572824,ISDB,,,,,,,MGYHFEOTTMNGCE,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.302912950515747 67981,2606,72,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.37820888,ISDB,CBEFWCLRPKIYCH-DKZZKAIRSA-N,"InChI=1S/C40H77NO8/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-36(44)41-33(32-48-40-39(47)38(46)37(45)35(31-42)49-40)34(43)29-27-25-23-21-19-14-12-10-8-6-4-2/h27,29,33-35,37-40,42-43,45-47H,3-26,28,30-32H2,1-2H3,(H,41,44)/b29-27+/t33-,34+,35+,37-,38-,39+,40+/m0/s1",CCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCC,C40H77NO8,,699.5649184239999,CBEFWCLRPKIYCH,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Turbo stenogyrus,714357.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Gastropoda'],['Unknown'],['Turbinidae'],['Unknown'],['Turbo'],['Turbo stenogyrus'],1,3,4.012835502624512 67971,2605,-1,,,,0.0,MS1_match,LLTOPKQGFAAMKH-UHFFFAOYSA-N,"InChI=1S/C12H12O4/c1-7-4-8(14-2)5-10-12(7)9(15-3)6-11(13)16-10/h4-6H,1-3H3",COc1cc(C)c2c(OC)cc(=O)oc2c1,C12H12O4,pos_1_1proton1ammonium,220.073558864,LLTOPKQGFAAMKH,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Clematis delavayi,72769.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis delavayi'],8,0,8.0 67957,2604,270,Shikimates and Phenylpropanoids,Chromanes,Chromones,0.6948411,ISDB,FSJZBVKUSMMYDT-ZZRRTNHHSA-N,"InChI=1S/C21H22O11/c22-11-3-5-15(14(25)8-11)31-21-20(29)19(28)18(27)16(32-21)9-30-17(26)6-2-10-1-4-12(23)13(24)7-10/h1-8,16,18-25,27-29H,9H2/b6-2+/t16-,18-,19+,20-,21-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](Oc2ccc(O)cc2O)[C@H](O)[C@@H](O)[C@@H]1O,C21H22O11,,450.116211524,FSJZBVKUSMMYDT,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Vaccinium dunalianum,348403.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ericaceae'],['Vaccinieae'],['Vaccinium'],['Vaccinium dunalianum'],4,1,7.279364347457886 67943,2595,-1,,,,0.0,MS1_match,HEYZWPRKKUGDCR-QBXMEVCASA-N,"InChI=1S/C16H22O10/c1-2-7-14(24-6-8-13(21)23-4-3-16(7,8)22)26-15-12(20)11(19)10(18)9(5-17)25-15/h2,6-7,9-12,14-15,17-20,22H,1,3-5H2/t7-,9+,10+,11-,12+,14-,15-,16+/m0/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCC[C@]21O,C16H22O10,pos_1_1potassium,374.1212969039999,HEYZWPRKKUGDCR,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 67944,2595,-1,,,,0.0,MS1_match,HEYZWPRKKUGDCR-QBXMEVCASA-N,"InChI=1S/C16H22O10/c1-2-7-14(24-6-8-13(21)23-4-3-16(7,8)22)26-15-12(20)11(19)10(18)9(5-17)25-15/h2,6-7,9-12,14-15,17-20,22H,1,3-5H2/t7-,9+,10+,11-,12+,14-,15-,16+/m0/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCC[C@]21O,C16H22O10,pos_1_1potassium,374.1212969039999,HEYZWPRKKUGDCR,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 67945,2595,-1,,,,0.0,MS1_match,PUEUIRDVQIKCCG-GMHYLCIRSA-N,"InChI=1S/C16H22O10/c1-2-7-8(3-4-17)9(14(22)23)6-24-15(7)26-16-13(21)12(20)11(19)10(5-18)25-16/h2,4,6-8,10-13,15-16,18-21H,1,3,5H2,(H,22,23)/t7?,8?,10-,11-,12+,13-,15+,16+/m1/s1",C=CC1C(CC=O)C(C(=O)O)=CO[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H22O10,pos_1_1potassium,374.1212969039999,PUEUIRDVQIKCCG,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 67946,2595,-1,,,,0.0,MS1_match,PUEUIRDVQIKCCG-UHFFFAOYSA-N,"InChI=1S/C16H22O10/c1-2-7-8(3-4-17)9(14(22)23)6-24-15(7)26-16-13(21)12(20)11(19)10(5-18)25-16/h2,4,6-8,10-13,15-16,18-21H,1,3,5H2,(H,22,23)",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)O)C1CC=O,C16H22O10,pos_1_1potassium,374.1212969039999,PUEUIRDVQIKCCG,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],7,0,7.0 67947,2595,-1,,,,0.0,MS1_match,PUEUIRDVQIKCCG-GMHYLCIRSA-N,"InChI=1S/C16H22O10/c1-2-7-8(3-4-17)9(14(22)23)6-24-15(7)26-16-13(21)12(20)11(19)10(5-18)25-16/h2,4,6-8,10-13,15-16,18-21H,1,3,5H2,(H,22,23)/t7?,8?,10-,11-,12+,13-,15+,16+/m1/s1",C=CC1C(CC=O)C(C(=O)O)=CO[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H22O10,pos_1_1potassium,374.1212969039999,PUEUIRDVQIKCCG,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 67948,2595,-1,,,,0.0,MS1_match,PUEUIRDVQIKCCG-UHFFFAOYSA-N,"InChI=1S/C16H22O10/c1-2-7-8(3-4-17)9(14(22)23)6-24-15(7)26-16-13(21)12(20)11(19)10(5-18)25-16/h2,4,6-8,10-13,15-16,18-21H,1,3,5H2,(H,22,23)",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)O)C1CC=O,C16H22O10,pos_1_1potassium,374.1212969039999,PUEUIRDVQIKCCG,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],7,0,7.0 67616,2594,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.8585423,ISDB,UFCLZKMFXSILNL-UHFFFAOYSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(35,24(33)34)11-19(30)23(20)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,35H,11-12H2,(H,33,34)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1OC(=O)C=Cc1ccc(O)c(O)c1,C25H24O12,,516.1267762079999,UFCLZKMFXSILNL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],8,3,12.934169292449951 67615,2592,-1,,,,0.0,MS1_match,OGOVVRHSMHRFIK-MYEWIJLCSA-N,"InChI=1S/C22H22O12/c1-32-15-8-11(9-16(33-2)18(15)26)4-6-17(25)34-19(20(27)28)22(31,21(29)30)10-12-3-5-13(23)14(24)7-12/h3-9,19,23-24,26,31H,10H2,1-2H3,(H,27,28)(H,29,30)/b6-4+/t19-,22-/m1/s1",COc1cc(/C=C/C(=O)O[C@H](C(=O)O)[C@](O)(Cc2ccc(O)c(O)c2)C(=O)O)cc(OC)c1O,C22H22O12,pos_1_1proton2acetonitrile,478.1111261439999,OGOVVRHSMHRFIK,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Actaea dahurica,462227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea dahurica'],6,0,6.0 67611,2590,-1,,,,0.3159405,ISDB,,,,,,,OTQWGNRJCSNJLH,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.2637619972229004 67605,2588,1021,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,DPBCFTHDJGXWRI-ZYAMGDOSSA-N,"InChI=1S/C16H26O9/c1-6-7-3-10(19)16(2,14(7)23-5-8(6)18)25-15-13(22)12(21)11(20)9(4-17)24-15/h6-7,9-15,17,19-22H,3-5H2,1-2H3/t6-,7-,9-,10+,11-,12+,13-,14+,15+,16-/m1/s1",C[C@H]1C(=O)CO[C@H]2[C@@H]1C[C@H](O)[C@@]2(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H26O9,pos_1_sodium,362.157682412,DPBCFTHDJGXWRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia scabra,68239.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia scabra'],6,3,7.5 67606,2588,1021,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,DBLVGADGVDUSHJ-XBNYBDERSA-N,"InChI=1S/C16H26O9/c1-6-7-3-10(18)16(2,8(7)5-23-14(6)22)25-15-13(21)12(20)11(19)9(4-17)24-15/h6-13,15,17-21H,3-5H2,1-2H3/t6-,7-,8+,9-,10+,11-,12+,13-,15+,16+/m1/s1",C[C@H]1C(=O)OC[C@H]2[C@@H]1C[C@H](O)[C@@]2(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H26O9,pos_1_sodium,362.157682412,DBLVGADGVDUSHJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia scabra,68239.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia scabra'],6,3,7.5 67607,2588,1021,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,DBLVGADGVDUSHJ-RLIMOHGTSA-N,"InChI=1S/C16H26O9/c1-6-7-3-10(18)16(2,8(7)5-23-14(6)22)25-15-13(21)12(20)11(19)9(4-17)24-15/h6-13,15,17-21H,3-5H2,1-2H3/t6-,7+,8-,9-,10+,11-,12+,13-,15+,16+/m1/s1",C[C@H]1C(=O)OC[C@@H]2[C@H]1C[C@H](O)[C@@]2(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H26O9,pos_1_sodium,362.157682412,DBLVGADGVDUSHJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia villosa,971855.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia villosa'],6,3,7.5 67608,2588,1021,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,RAKWYUWXLTYDQR-LTPIHACHSA-N,"InChI=1S/C16H26O9/c1-6-7-2-10(8(3-17)9(7)5-23-15(6)22)24-16-14(21)13(20)12(19)11(4-18)25-16/h6-14,16-21H,2-5H2,1H3/t6-,7-,8-,9+,10+,11-,12-,13+,14-,16-/m1/s1",C[C@H]1C(=O)OC[C@@H]2[C@@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C[C@@H]21,C16H26O9,pos_1_sodium,362.157682412,RAKWYUWXLTYDQR,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia gibbosa,231859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia gibbosa'],6,3,7.5 67609,2588,1021,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,ZHEBCILICLSWEG-XBNYBDERSA-N,"InChI=1S/C16H26O9/c1-6-7-3-10(16(2,22)8(7)5-23-14(6)21)25-15-13(20)12(19)11(18)9(4-17)24-15/h6-13,15,17-20,22H,3-5H2,1-2H3/t6-,7-,8+,9-,10+,11-,12+,13-,15+,16+/m1/s1",C[C@H]1C(=O)OC[C@H]2[C@@H]1C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@]2(C)O,C16H26O9,pos_1_sodium,362.15768241199993,ZHEBCILICLSWEG,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia scabra,68239.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia scabra'],6,3,7.5 67610,2588,1021,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,ZHEBCILICLSWEG-XBNYBDERSA-N,"InChI=1S/C16H26O9/c1-6-7-3-10(16(2,22)8(7)5-23-14(6)21)25-15-13(20)12(19)11(18)9(4-17)24-15/h6-13,15,17-20,22H,3-5H2,1-2H3/t6-,7-,8+,9-,10+,11-,12+,13-,15+,16+/m1/s1",C[C@H]1C(=O)OC[C@H]2[C@@H]1C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@]2(C)O,C16H26O9,pos_1_sodium,362.15768241199993,ZHEBCILICLSWEG,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia scabra,68239.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia scabra'],6,3,7.5 67568,2584,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-PNQZTZQXSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14+,16-/m0/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1C[C@](O)(C(=O)O)C[C@H](O)[C@H]1O,C16H18O9,pos_2MHNH3,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera bournei,5746380.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera bournei'],7,3,8.5 67569,2584,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_2MHNH3,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera macrantha,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 67570,2584,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_2MHNH3,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 67571,2584,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_2MHNH3,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera fulvotomentosa,650610.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera fulvotomentosa'],7,3,8.5 67572,2584,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_2MHNH3,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera confusa,594829.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera confusa'],7,3,8.5 67573,2584,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_2MHNH3,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera dasystyla,960340.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera dasystyla'],7,3,8.5 67574,2584,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_2MHNH3,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera similis,960338.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera similis'],7,3,8.5 67575,2584,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_2MHNH3,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera similis,960338.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera similis'],7,3,8.5 67576,2584,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_2MHNH3,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera dasystyla,960340.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera dasystyla'],7,3,8.5 67577,2584,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_2MHNH3,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera hypoglauca,235196.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera hypoglauca'],7,3,8.5 67578,2584,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_2MHNH3,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera confusa,594829.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera confusa'],7,3,8.5 67579,2584,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_2MHNH3,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera macrantha,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 67580,2584,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_2MHNH3,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera hypoglauca,235196.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera hypoglauca'],7,3,8.5 67581,2584,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_2MHNH3,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera implexa,692207.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera implexa'],7,3,8.5 67582,2584,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GWTUHAXUUFROTF-AVXJPILUSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-16(15(23)24)6-11(19)14(22)12(20)7-16/h1-5,11-12,14,17-20,22H,6-7H2,(H,23,24)/b4-2+/t11-,12-,14?,16?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC1(C(=O)O)C[C@@H](O)C(O)[C@H](O)C1,C16H18O9,pos_2MHNH3,354.0950821559999,GWTUHAXUUFROTF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 67583,2584,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GWTUHAXUUFROTF-AVXJPILUSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-16(15(23)24)6-11(19)14(22)12(20)7-16/h1-5,11-12,14,17-20,22H,6-7H2,(H,23,24)/b4-2+/t11-,12-,14?,16?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC1(C(=O)O)C[C@@H](O)C(O)[C@H](O)C1,C16H18O9,pos_2MHNH3,354.0950821559999,GWTUHAXUUFROTF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 67584,2584,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_2MHNH3,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 67585,2584,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-PNQZTZQXSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14+,16-/m0/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1C[C@](O)(C(=O)O)C[C@H](O)[C@H]1O,C16H18O9,pos_2MHNH3,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera bournei,5746380.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera bournei'],7,3,8.5 67586,2584,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_2MHNH3,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera fulvotomentosa,650610.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera fulvotomentosa'],7,3,8.5 67587,2584,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_2MHNH3,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera implexa,692207.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera implexa'],7,3,8.5 67567,2580,-1,,,,0.24435204,ISDB,,,,,,,NVQPWUVLWFUODC,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.9774081707000732 67395,2576,345,Shikimates and Phenylpropanoids,Lignans,Naphthalenes and derivatives,0.5651081,ISDB,VQTFXJZYQVWHJA-UHFFFAOYSA-N,"InChI=1S/C13H14O3/c1-8-6-9-4-5-10(14)13(16-3)12(9)11(7-8)15-2/h4-7,14H,1-3H3",COc1cc(C)cc2ccc(O)c(OC)c12,C13H14O3,,218.094294308,VQTFXJZYQVWHJA,Polyketides,Naphthalenes,Naphthalenes and derivatives,Diospyros celebica,1256.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ebenaceae'],['Unknown'],['Diospyros'],['Diospyros celebica'],4,3,7.760432481765747 67105,2571,173,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.23665673,ISDB,BGWXCNUGXLABMC-UHFFFAOYSA-N,"InChI=1S/C10H12O4/c1-4-5-3-6(11)10(2)7(5)8(12)13-9(4)14-10/h5-7,9,11H,1,3H2,2H3",C=C1C2OC(=O)C3C1CC(O)C3(C)O2,C10H12O4,,196.073558864,BGWXCNUGXLABMC,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,3,8.446626901626587 67100,2570,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.8160516,ISDB,,,,,,,ZMXMVOMPVVLKBY,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,3.2642064094543457 67049,2569,94,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.39055637,ISDB,AGHYYIRUYLLBAR-DOTOQJQBSA-N,"InChI=1S/C19H32O4/c1-15(20)9-7-5-3-2-4-6-8-10-17(21)11-16-12-18(22)14-19(23)13-16/h12-15,17,20-23H,2-11H2,1H3/t15-,17+/m0/s1",C[C@H](O)CCCCCCCCC[C@@H](O)Cc1cc(O)cc(O)c1,C19H32O4,,324.230059504,AGHYYIRUYLLBAR,Polyketides,,,Ononis pubescens,323322.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Ononis'],['Ononis pubescens'],4,0,5.5622254610061646 67030,2568,-1,,,,0.0,MS1_match,ZYKCETVKVRJFGD-UHFFFAOYSA-N,"InChI=1S/C20H17NO5/c1-23-13-8-11-12(9-14(13)24-2)19(22)18-16-10(5-6-21-18)7-15(25-3)20(26-4)17(11)16/h5-9H,1-4H3",COc1cc2c(cc1OC)-c1c(OC)c(OC)cc3ccnc(c13)C2=O,C20H17NO5,pos_1_1proton1isopropanol,351.110672644,ZYKCETVKVRJFGD,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Aquilegia ecalcarata,947694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Aquilegia'],['Aquilegia ecalcarata'],6,0,6.0 67031,2568,-1,,,,0.0,MS1_match,HJDZNSLTBDNJJW-UHFFFAOYSA-N,"InChI=1S/C20H17NO5/c1-21-16-5-11-4-14-15(24-8-23-14)6-12(11)20(16)7-10-2-3-13-18(25-9-22-13)17(10)19(21)26-20/h2-4,6,16,19H,5,7-9H2,1H3",CN1C2OC3(Cc4ccc5c(c42)OCO5)c2cc4c(cc2CC13)OCO4,C20H17NO5,pos_1_1proton1isopropanol,351.110672644,HJDZNSLTBDNJJW,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Delphinium barbeyi,591161.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium barbeyi'],6,0,6.0 67032,2568,-1,,,,0.0,MS1_match,HJDZNSLTBDNJJW-UHFFFAOYSA-N,"InChI=1S/C20H17NO5/c1-21-16-5-11-4-14-15(24-8-23-14)6-12(11)20(16)7-10-2-3-13-18(25-9-22-13)17(10)19(21)26-20/h2-4,6,16,19H,5,7-9H2,1H3",CN1C2OC3(Cc4ccc5c(c42)OCO5)c2cc4c(cc2CC13)OCO4,C20H17NO5,pos_1_1proton1isopropanol,351.110672644,HJDZNSLTBDNJJW,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Delphinium glaucum,931149.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium glaucum'],6,0,6.0 67033,2568,-1,,,,0.0,MS1_match,HJDZNSLTBDNJJW-UHFFFAOYSA-N,"InChI=1S/C20H17NO5/c1-21-16-5-11-4-14-15(24-8-23-14)6-12(11)20(16)7-10-2-3-13-18(25-9-22-13)17(10)19(21)26-20/h2-4,6,16,19H,5,7-9H2,1H3",CN1C2OC3(Cc4ccc5c(c42)OCO5)c2cc4c(cc2CC13)OCO4,C20H17NO5,pos_1_1proton1isopropanol,351.110672644,HJDZNSLTBDNJJW,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Delphinium grandiflorum,1004833.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium grandiflorum'],6,0,6.0 67034,2568,-1,,,,0.0,MS1_match,HJDZNSLTBDNJJW-UHFFFAOYSA-N,"InChI=1S/C20H17NO5/c1-21-16-5-11-4-14-15(24-8-23-14)6-12(11)20(16)7-10-2-3-13-18(25-9-22-13)17(10)19(21)26-20/h2-4,6,16,19H,5,7-9H2,1H3",CN1C2OC3(Cc4ccc5c(c42)OCO5)c2cc4c(cc2CC13)OCO4,C20H17NO5,pos_1_1proton1isopropanol,351.110672644,HJDZNSLTBDNJJW,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Delphinium occidentale,3944974.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium occidentale'],6,0,6.0 67035,2568,-1,,,,0.0,MS1_match,HJDZNSLTBDNJJW-UHFFFAOYSA-N,"InChI=1S/C20H17NO5/c1-21-16-5-11-4-14-15(24-8-23-14)6-12(11)20(16)7-10-2-3-13-18(25-9-22-13)17(10)19(21)26-20/h2-4,6,16,19H,5,7-9H2,1H3",CN1C2OC3(Cc4ccc5c(c42)OCO5)c2cc4c(cc2CC13)OCO4,C20H17NO5,pos_1_1proton1isopropanol,351.110672644,HJDZNSLTBDNJJW,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Delphinium barbeyi,591161.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium barbeyi'],6,0,6.0 67036,2568,-1,,,,0.0,MS1_match,HJDZNSLTBDNJJW-UHFFFAOYSA-N,"InChI=1S/C20H17NO5/c1-21-16-5-11-4-14-15(24-8-23-14)6-12(11)20(16)7-10-2-3-13-18(25-9-22-13)17(10)19(21)26-20/h2-4,6,16,19H,5,7-9H2,1H3",CN1C2OC3(Cc4ccc5c(c42)OCO5)c2cc4c(cc2CC13)OCO4,C20H17NO5,pos_1_1proton1isopropanol,351.110672644,HJDZNSLTBDNJJW,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Delphinium glaucum,931149.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium glaucum'],6,0,6.0 67037,2568,-1,,,,0.0,MS1_match,ZHYQCBCBTQWPLC-UHFFFAOYSA-N,"InChI=1S/C20H17NO5/c1-23-15-4-3-12-7-14-13-9-17-16(25-10-26-17)8-11(13)5-6-21(14)20(22)18(12)19(15)24-2/h3-4,7-9H,5-6,10H2,1-2H3",COc1ccc2cc3n(c(=O)c2c1OC)CCc1cc2c(cc1-3)OCO2,C20H17NO5,pos_1_1proton1isopropanol,351.110672644,ZHYQCBCBTQWPLC,Alkaloids,Tyrosine alkaloids,Protoberberine alkaloids,Thalictrum javanicum,124737.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum javanicum'],6,0,6.0 67038,2568,-1,,,,0.0,MS1_match,HJDZNSLTBDNJJW-UHFFFAOYSA-N,"InChI=1S/C20H17NO5/c1-21-16-5-11-4-14-15(24-8-23-14)6-12(11)20(16)7-10-2-3-13-18(25-9-22-13)17(10)19(21)26-20/h2-4,6,16,19H,5,7-9H2,1H3",CN1C2OC3(Cc4ccc5c(c42)OCO5)c2cc4c(cc2CC13)OCO4,C20H17NO5,pos_1_1proton1isopropanol,351.110672644,HJDZNSLTBDNJJW,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Delphinium occidentale,3944974.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium occidentale'],6,0,6.0 67039,2568,-1,,,,0.0,MS1_match,ZHYQCBCBTQWPLC-UHFFFAOYSA-N,"InChI=1S/C20H17NO5/c1-23-15-4-3-12-7-14-13-9-17-16(25-10-26-17)8-11(13)5-6-21(14)20(22)18(12)19(15)24-2/h3-4,7-9H,5-6,10H2,1-2H3",COc1ccc2cc3n(c(=O)c2c1OC)CCc1cc2c(cc1-3)OCO2,C20H17NO5,pos_1_1proton1isopropanol,351.110672644,ZHYQCBCBTQWPLC,Alkaloids,Tyrosine alkaloids,Protoberberine alkaloids,Thalictrum rugosum,421841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum dasycarpum'],6,0,6.0 67040,2568,-1,,,,0.0,MS1_match,ZHYQCBCBTQWPLC-UHFFFAOYSA-N,"InChI=1S/C20H17NO5/c1-23-15-4-3-12-7-14-13-9-17-16(25-10-26-17)8-11(13)5-6-21(14)20(22)18(12)19(15)24-2/h3-4,7-9H,5-6,10H2,1-2H3",COc1ccc2cc3n(c(=O)c2c1OC)CCc1cc2c(cc1-3)OCO2,C20H17NO5,pos_1_1proton1isopropanol,351.110672644,ZHYQCBCBTQWPLC,Alkaloids,Tyrosine alkaloids,Protoberberine alkaloids,Coptis japonica,387829.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Coptis'],['Coptis japonica'],6,0,6.0 67041,2568,-1,,,,0.0,MS1_match,ZHYQCBCBTQWPLC-UHFFFAOYSA-N,"InChI=1S/C20H17NO5/c1-23-15-4-3-12-7-14-13-9-17-16(25-10-26-17)8-11(13)5-6-21(14)20(22)18(12)19(15)24-2/h3-4,7-9H,5-6,10H2,1-2H3",COc1ccc2cc3n(c(=O)c2c1OC)CCc1cc2c(cc1-3)OCO2,C20H17NO5,pos_1_1proton1isopropanol,351.110672644,ZHYQCBCBTQWPLC,Alkaloids,Tyrosine alkaloids,Protoberberine alkaloids,Thalictrum podocarpum,119512.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum podocarpum'],6,0,6.0 67042,2568,-1,,,,0.0,MS1_match,ZHYQCBCBTQWPLC-UHFFFAOYSA-N,"InChI=1S/C20H17NO5/c1-23-15-4-3-12-7-14-13-9-17-16(25-10-26-17)8-11(13)5-6-21(14)20(22)18(12)19(15)24-2/h3-4,7-9H,5-6,10H2,1-2H3",COc1ccc2cc3n(c(=O)c2c1OC)CCc1cc2c(cc1-3)OCO2,C20H17NO5,pos_1_1proton1isopropanol,351.110672644,ZHYQCBCBTQWPLC,Alkaloids,Tyrosine alkaloids,Protoberberine alkaloids,Thalictrum alpinum,468431.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum alpinum'],6,0,6.0 67043,2568,-1,,,,0.0,MS1_match,ZHYQCBCBTQWPLC-UHFFFAOYSA-N,"InChI=1S/C20H17NO5/c1-23-15-4-3-12-7-14-13-9-17-16(25-10-26-17)8-11(13)5-6-21(14)20(22)18(12)19(15)24-2/h3-4,7-9H,5-6,10H2,1-2H3",COc1ccc2cc3n(c(=O)c2c1OC)CCc1cc2c(cc1-3)OCO2,C20H17NO5,pos_1_1proton1isopropanol,351.110672644,ZHYQCBCBTQWPLC,Alkaloids,Tyrosine alkaloids,Protoberberine alkaloids,Thalictrum foliolosum,124406.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum foliolosum'],6,0,6.0 67044,2568,-1,,,,0.0,MS1_match,ZHYQCBCBTQWPLC-UHFFFAOYSA-N,"InChI=1S/C20H17NO5/c1-23-15-4-3-12-7-14-13-9-17-16(25-10-26-17)8-11(13)5-6-21(14)20(22)18(12)19(15)24-2/h3-4,7-9H,5-6,10H2,1-2H3",COc1ccc2cc3n(c(=O)c2c1OC)CCc1cc2c(cc1-3)OCO2,C20H17NO5,pos_1_1proton1isopropanol,351.110672644,ZHYQCBCBTQWPLC,Alkaloids,Tyrosine alkaloids,Protoberberine alkaloids,Thalictrum longistylum,6133329.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum longistylum'],6,0,6.0 67045,2568,-1,,,,0.0,MS1_match,ZHYQCBCBTQWPLC-UHFFFAOYSA-N,"InChI=1S/C20H17NO5/c1-23-15-4-3-12-7-14-13-9-17-16(25-10-26-17)8-11(13)5-6-21(14)20(22)18(12)19(15)24-2/h3-4,7-9H,5-6,10H2,1-2H3",COc1ccc2cc3n(c(=O)c2c1OC)CCc1cc2c(cc1-3)OCO2,C20H17NO5,pos_1_1proton1isopropanol,351.110672644,ZHYQCBCBTQWPLC,Alkaloids,Tyrosine alkaloids,Protoberberine alkaloids,Thalictrum minus,491705.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum minus'],6,0,6.0 67046,2568,-1,,,,0.0,MS1_match,ZHYQCBCBTQWPLC-UHFFFAOYSA-N,"InChI=1S/C20H17NO5/c1-23-15-4-3-12-7-14-13-9-17-16(25-10-26-17)8-11(13)5-6-21(14)20(22)18(12)19(15)24-2/h3-4,7-9H,5-6,10H2,1-2H3",COc1ccc2cc3n(c(=O)c2c1OC)CCc1cc2c(cc1-3)OCO2,C20H17NO5,pos_1_1proton1isopropanol,351.110672644,ZHYQCBCBTQWPLC,Alkaloids,Tyrosine alkaloids,Protoberberine alkaloids,Thalictrum acutifolium,871004.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum acutifolium'],6,0,6.0 67047,2568,-1,,,,0.0,MS1_match,ZHYQCBCBTQWPLC-UHFFFAOYSA-N,"InChI=1S/C20H17NO5/c1-23-15-4-3-12-7-14-13-9-17-16(25-10-26-17)8-11(13)5-6-21(14)20(22)18(12)19(15)24-2/h3-4,7-9H,5-6,10H2,1-2H3",COc1ccc2cc3n(c(=O)c2c1OC)CCc1cc2c(cc1-3)OCO2,C20H17NO5,pos_1_1proton1isopropanol,351.110672644,ZHYQCBCBTQWPLC,Alkaloids,Tyrosine alkaloids,Protoberberine alkaloids,Thalictrum dasycarpum,421841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum dasycarpum'],6,0,6.0 67048,2568,-1,,,,0.0,MS1_match,HJDZNSLTBDNJJW-UHFFFAOYSA-N,"InChI=1S/C20H17NO5/c1-21-16-5-11-4-14-15(24-8-23-14)6-12(11)20(16)7-10-2-3-13-18(25-9-22-13)17(10)19(21)26-20/h2-4,6,16,19H,5,7-9H2,1H3",CN1C2OC3(Cc4ccc5c(c42)OCO5)c2cc4c(cc2CC13)OCO4,C20H17NO5,pos_1_1proton1isopropanol,351.110672644,HJDZNSLTBDNJJW,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Delphinium grandiflorum,1004833.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium grandiflorum'],6,0,6.0 67027,2567,189,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,VZEXGWGJXZJLPY-JVTDHSCXSA-N,"InChI=1S/C41H44O23/c42-12-24-29(51)32(54)34(56)39(60-24)58-18-10-21(47)27-23(11-18)59-35(16-4-7-19(45)20(46)9-16)36(31(27)53)63-41-38(33(55)30(52)25(13-43)61-41)64-40-37(28(50)22(48)14-57-40)62-26(49)8-3-15-1-5-17(44)6-2-15/h1-11,22,24-25,28-30,32-34,37-48,50-52,54-56H,12-14H2/b8-3+/t22-,24+,25+,28-,29-,30-,32-,33+,34+,37+,38-,39-,40-,41+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1[C@@H](O[C@H]2[C@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O[C@@H]5O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]5O)cc(O)c4c3=O)O[C@@H](CO)[C@@H](O)[C@@H]2O)OC[C@@H](O)[C@H]1O,C41H44O23,pos_1_sodium,904.227337668,VZEXGWGJXZJLPY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus biternatus,692884.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus biternatus'],6,3,7.5 67028,2567,189,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,VZEXGWGJXZJLPY-JVTDHSCXSA-N,"InChI=1S/C41H44O23/c42-12-24-29(51)32(54)34(56)39(60-24)58-18-10-21(47)27-23(11-18)59-35(16-4-7-19(45)20(46)9-16)36(31(27)53)63-41-38(33(55)30(52)25(13-43)61-41)64-40-37(28(50)22(48)14-57-40)62-26(49)8-3-15-1-5-17(44)6-2-15/h1-11,22,24-25,28-30,32-34,37-48,50-52,54-56H,12-14H2/b8-3+/t22-,24+,25+,28-,29-,30-,32-,33+,34+,37+,38-,39-,40-,41+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1[C@@H](O[C@H]2[C@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O[C@@H]5O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]5O)cc(O)c4c3=O)O[C@@H](CO)[C@@H](O)[C@@H]2O)OC[C@@H](O)[C@H]1O,C41H44O23,pos_1_sodium,904.227337668,VZEXGWGJXZJLPY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus pseudotrullifolius,456902.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus pseudotrullifolius'],6,3,7.5 67029,2567,189,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,VZEXGWGJXZJLPY-JVTDHSCXSA-N,"InChI=1S/C41H44O23/c42-12-24-29(51)32(54)34(56)39(60-24)58-18-10-21(47)27-23(11-18)59-35(16-4-7-19(45)20(46)9-16)36(31(27)53)63-41-38(33(55)30(52)25(13-43)61-41)64-40-37(28(50)22(48)14-57-40)62-26(49)8-3-15-1-5-17(44)6-2-15/h1-11,22,24-25,28-30,32-34,37-48,50-52,54-56H,12-14H2/b8-3+/t22-,24+,25+,28-,29-,30-,32-,33+,34+,37+,38-,39-,40-,41+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1[C@@H](O[C@H]2[C@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O[C@@H]5O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]5O)cc(O)c4c3=O)O[C@@H](CO)[C@@H](O)[C@@H]2O)OC[C@@H](O)[C@H]1O,C41H44O23,pos_1_sodium,904.227337668,VZEXGWGJXZJLPY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus moseleyi,6132641.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus moseleyi'],6,3,7.5 67025,2566,100,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,SUGOCCUAKZVLFE-SDTHRHJYSA-N,"InChI=1S/C19H28O10/c1-2-3-6-27-18(26)12(22)8-10-4-5-13(11(21)7-10)28-19-17(25)16(24)15(23)14(9-20)29-19/h4-5,7,12,14-17,19-25H,2-3,6,8-9H2,1H3/t12-,14-,15-,16+,17-,19-/m1/s1",CCCCOC(=O)[C@H](O)Cc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1,C19H28O10,pos_1_sodium,416.168247096,SUGOCCUAKZVLFE,,,,Ranunculus chinensis,162150.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus chinensis'],6,0,6.0 67026,2566,100,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,SUGOCCUAKZVLFE-SDTHRHJYSA-N,"InChI=1S/C19H28O10/c1-2-3-6-27-18(26)12(22)8-10-4-5-13(11(21)7-10)28-19-17(25)16(24)15(23)14(9-20)29-19/h4-5,7,12,14-17,19-25H,2-3,6,8-9H2,1H3/t12-,14-,15-,16+,17-,19-/m1/s1",CCCCOC(=O)[C@H](O)Cc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1,C19H28O10,pos_1_sodium,416.168247096,SUGOCCUAKZVLFE,,,,Ranunculus cantoniensis,118756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus cantoniensis'],6,0,6.0 67022,2565,808,Amino acids and Peptides,Nicotinic acid alkaloids,Cyanogenic glycosides,0.43969935,ISDB,KQTRNMODDGXNSU-UUTXUICWSA-N,"InChI=1S/C18H27NO10/c1-8-13(22)10(21)4-12(26-8)27-9-2-3-18(5-9,7-19)29-17-16(25)15(24)14(23)11(6-20)28-17/h2-3,8-17,20-25H,4-6H2,1H3/t8-,9+,10+,11-,12+,13+,14-,15+,16-,17+,18-/m1/s1",C[C@H]1O[C@@H](O[C@H]2C=C[C@@](C#N)(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C2)C[C@H](O)[C@H]1O,C18H27NO10,,417.163496064,KQTRNMODDGXNSU,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Passiflora capsularis,992811.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Passifloraceae'],['Unknown'],['Passiflora'],['Passiflora capsularis'],4,3,7.2587974071502686 67023,2565,808,Amino acids and Peptides,Nicotinic acid alkaloids,Cyanogenic glycosides,0.43969935,ISDB,KQTRNMODDGXNSU-UUTXUICWSA-N,"InChI=1S/C18H27NO10/c1-8-13(22)10(21)4-12(26-8)27-9-2-3-18(5-9,7-19)29-17-16(25)15(24)14(23)11(6-20)28-17/h2-3,8-17,20-25H,4-6H2,1H3/t8-,9+,10+,11-,12+,13+,14-,15+,16-,17+,18-/m1/s1",C[C@H]1O[C@@H](O[C@H]2C=C[C@@](C#N)(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C2)C[C@H](O)[C@H]1O,C18H27NO10,,417.163496064,KQTRNMODDGXNSU,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Passiflora citrina,362559.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Passifloraceae'],['Unknown'],['Passiflora'],['Passiflora citrina'],4,3,7.2587974071502686 66957,2562,486,Shikimates and Phenylpropanoids,Cyclic polyketides,Cinnamic acids and derivatives,0.46939877,ISDB,PFHBQBOWTMLEJD-MRVPVSSYSA-N,"InChI=1S/C11H16O2/c1-4-8(3)10-7-6-9(5-2)11(12)13-10/h6-8H,4-5H2,1-3H3/t8-/m1/s1",CCc1ccc([C@H](C)CC)oc1=O,C11H16O2,,180.115029752,PFHBQBOWTMLEJD,Polyketides,Cyclic polyketides,2-pyrone derivatives,Nocardiopsis,176964.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptosporangiales'],['Nocardiopsaceae'],['Unknown'],['Nocardiopsis'],['Unknown'],0,2,2.877595067024231 66948,2560,-1,,,,0.0,MS1_match,DBIKJXXBCAHHMC-WOJBJXKFSA-N,"InChI=1S/C20H26O7/c1-25-17-11-14(6-7-15(17)23)20(24)19(12-22)27-16-8-5-13(4-3-9-21)10-18(16)26-2/h5-8,10-11,19-24H,3-4,9,12H2,1-2H3/t19-,20-/m1/s1",COc1cc([C@@H](O)[C@@H](CO)Oc2ccc(CCCO)cc2OC)ccc1O,C20H26O7,pos_1_sodium,378.1678531719999,DBIKJXXBCAHHMC,Shikimates and Phenylpropanoids,Lignans,Neolignans,Euonymus alatus,601141.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus alatus'],7,0,7.0 66949,2560,-1,,,,0.0,MS1_match,DBIKJXXBCAHHMC-WOJBJXKFSA-N,"InChI=1S/C20H26O7/c1-25-17-11-14(6-7-15(17)23)20(24)19(12-22)27-16-8-5-13(4-3-9-21)10-18(16)26-2/h5-8,10-11,19-24H,3-4,9,12H2,1-2H3/t19-,20-/m1/s1",COc1cc([C@@H](O)[C@@H](CO)Oc2ccc(CCCO)cc2OC)ccc1O,C20H26O7,pos_1_sodium,378.1678531719999,DBIKJXXBCAHHMC,Shikimates and Phenylpropanoids,Lignans,Neolignans,Euonymus alatus,601141.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus alatus'],7,0,7.0 66932,2559,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.84848636,ISDB,OIIJXQMSEYQDDI-UHFFFAOYSA-N,"InChI=1S/C13H18/c1-9-7-8-11(3)13-10(2)5-4-6-12(9)13/h7-8,10H,4-6H2,1-3H3",Cc1ccc(C)c2c1CCCC2C,C13H18,,174.140850576,OIIJXQMSEYQDDI,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],4,3,8.893945455551147 66916,2558,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.8484597,ISDB,OIIJXQMSEYQDDI-UHFFFAOYSA-N,"InChI=1S/C13H18/c1-9-7-8-11(3)13-10(2)5-4-6-12(9)13/h7-8,10H,4-6H2,1-3H3",Cc1ccc(C)c2c1CCCC2C,C13H18,,174.140850576,OIIJXQMSEYQDDI,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],4,3,8.893838882446289 66915,2555,-1,,,,0.0,MS1_match,RJYIKDUVSPCWEE-UHFFFAOYSA-N,"InChI=1S/C9H8O7/c1-14-9(13)3-4(10)6(12)8-7(5(3)11)15-2-16-8/h10-12H,2H2,1H3",COC(=O)c1c(O)c(O)c2c(c1O)OCO2,C9H8O7,pos_1_1proton1ammonium,228.027002596,RJYIKDUVSPCWEE,Polyketides,,,Delphinium venulosum,885408.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium venulosum'],6,0,6.0 66902,2553,189,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,TZPMVVDDEWYHIB-VWXBVBANSA-N,"InChI=1S/C42H46O24/c1-14-28(50)32(54)35(57)40(60-14)61-17-10-22(48)27-23(11-17)62-37(16-4-6-19(45)21(47)9-16)38(31(27)53)65-42-39(34(56)29(51)24(12-43)63-42)66-41-36(58)33(55)30(52)25(64-41)13-59-26(49)7-3-15-2-5-18(44)20(46)8-15/h2-11,14,24-25,28-30,32-36,39-48,50-52,54-58H,12-13H2,1H3/b7-3+/t14-,24+,25+,28-,29+,30+,32+,33-,34-,35+,36+,39+,40-,41-,42-/m0/s1",C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](COC(=O)/C=C/c5ccc(O)c(O)c5)[C@@H](O)[C@H](O)[C@H]4O)c(-c4ccc(O)c(O)c4)oc3c2)[C@H](O)[C@H](O)[C@H]1O,C42H46O24,pos_1_sodium,934.237902352,TZPMVVDDEWYHIB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Aconitum napellus,586780.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum napellus'],6,3,7.5 66903,2553,189,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,TZPMVVDDEWYHIB-QBZXYKHESA-N,"InChI=1S/C42H46O24/c1-14-28(50)32(54)35(57)40(60-14)61-17-10-22(48)27-23(11-17)62-37(16-4-6-19(45)21(47)9-16)38(31(27)53)65-42-39(34(56)29(51)24(12-43)63-42)66-41-36(58)33(55)30(52)25(64-41)13-59-26(49)7-3-15-2-5-18(44)20(46)8-15/h2-11,14,24-25,28-30,32-36,39-48,50-52,54-58H,12-13H2,1H3/b7-3+/t14-,24+,25+,28-,29+,30+,32+,33-,34-,35+,36+,39+,40+,41-,42-/m1/s1",C[C@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O[C@H]4O[C@@H](COC(=O)/C=C/c5ccc(O)c(O)c5)[C@H](O)[C@@H](O)[C@@H]4O)c(-c4ccc(O)c(O)c4)oc3c2)[C@@H](O)[C@@H](O)[C@@H]1O,C42H46O24,pos_1_sodium,934.237902352,TZPMVVDDEWYHIB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Aconitum baicalense,1014257.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum baicalense'],6,3,7.5 66904,2553,189,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,BAYNPTIBKPKGFB-WARGXTRISA-N,"InChI=1S/C42H46O24/c1-14-28(50)38(65-41-35(57)33(55)30(52)25(64-41)13-59-26(49)7-3-15-2-5-18(44)20(46)8-15)36(58)42(60-14)61-17-10-22(48)27-23(11-17)62-37(16-4-6-19(45)21(47)9-16)39(31(27)53)66-40-34(56)32(54)29(51)24(12-43)63-40/h2-11,14,24-25,28-30,32-36,38,40-48,50-52,54-58H,12-13H2,1H3/b7-3+/t14-,24-,25-,28-,29-,30-,32+,33+,34-,35-,36-,38+,40+,41+,42+/m0/s1",C[C@@H]1O[C@H](Oc2cc(O)c3c(=O)c(O[C@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)c(-c4ccc(O)c(O)c4)oc3c2)[C@@H](O)[C@H](O[C@H]2O[C@@H](COC(=O)/C=C/c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H]1O,C42H46O24,pos_1_sodium,934.237902352,BAYNPTIBKPKGFB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Aconitum napellus,586780.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum napellus'],6,3,7.5 66905,2553,189,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,BAYNPTIBKPKGFB-XYCWGEMUSA-N,"InChI=1S/C42H46O24/c1-14-28(50)38(65-41-35(57)33(55)30(52)25(64-41)13-59-26(49)7-3-15-2-5-18(44)20(46)8-15)36(58)42(60-14)61-17-10-22(48)27-23(11-17)62-37(16-4-6-19(45)21(47)9-16)39(31(27)53)66-40-34(56)32(54)29(51)24(12-43)63-40/h2-11,14,24-25,28-30,32-36,38,40-48,50-52,54-58H,12-13H2,1H3/b7-3+/t14-,24+,25+,28-,29+,30+,32-,33-,34+,35+,36+,38+,40-,41-,42-/m0/s1",C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(-c4ccc(O)c(O)c4)oc3c2)[C@H](O)[C@H](O[C@@H]2O[C@H](COC(=O)/C=C/c3ccc(O)c(O)c3)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C42H46O24,pos_1_sodium,934.237902352,BAYNPTIBKPKGFB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Aconitum burnatii,3944952.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum burnatii'],6,3,7.5 66906,2553,189,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,MWAUOMXEJMQMFW-UNMXIFFRSA-N,"InChI=1S/C42H46O24/c1-14-28(50)34(56)39(66-41-36(58)33(55)30(52)25(64-41)13-59-26(49)7-3-15-2-5-18(44)20(46)8-15)42(60-14)61-17-10-22(48)27-23(11-17)62-37(16-4-6-19(45)21(47)9-16)38(31(27)53)65-40-35(57)32(54)29(51)24(12-43)63-40/h2-11,14,24-25,28-30,32-36,39-48,50-52,54-58H,12-13H2,1H3/b7-3+/t14-,24+,25+,28-,29+,30+,32-,33-,34+,35+,36+,39+,40-,41-,42-/m0/s1",C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(-c4ccc(O)c(O)c4)oc3c2)[C@H](O[C@@H]2O[C@H](COC(=O)/C=C/c3ccc(O)c(O)c3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O,C42H46O24,pos_1_sodium,934.237902352,MWAUOMXEJMQMFW,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Aconitum jaluense,549539.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum jaluense'],6,3,7.5 66907,2553,189,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,MWAUOMXEJMQMFW-UNMXIFFRSA-N,"InChI=1S/C42H46O24/c1-14-28(50)34(56)39(66-41-36(58)33(55)30(52)25(64-41)13-59-26(49)7-3-15-2-5-18(44)20(46)8-15)42(60-14)61-17-10-22(48)27-23(11-17)62-37(16-4-6-19(45)21(47)9-16)38(31(27)53)65-40-35(57)32(54)29(51)24(12-43)63-40/h2-11,14,24-25,28-30,32-36,39-48,50-52,54-58H,12-13H2,1H3/b7-3+/t14-,24+,25+,28-,29+,30+,32-,33-,34+,35+,36+,39+,40-,41-,42-/m0/s1",C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(-c4ccc(O)c(O)c4)oc3c2)[C@H](O[C@@H]2O[C@H](COC(=O)/C=C/c3ccc(O)c(O)c3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O,C42H46O24,pos_1_sodium,934.237902352,MWAUOMXEJMQMFW,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Aconitum chiisanense,921879.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum chiisanense'],6,3,7.5 66908,2553,189,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,BNYDLXBTNLOWPZ-YYCMBSPASA-N,"InChI=1S/C42H46O24/c1-14-28(50)32(54)35(57)40(60-14)61-17-10-22(48)27-23(11-17)62-37(16-4-6-19(45)21(47)9-16)38(31(27)53)65-42-39(66-41-36(58)33(55)29(51)24(12-43)63-41)34(56)30(52)25(64-42)13-59-26(49)7-3-15-2-5-18(44)20(46)8-15/h2-11,14,24-25,28-30,32-36,39-48,50-52,54-58H,12-13H2,1H3/b7-3+/t14-,24-,25+,28-,29+,30+,32+,33-,34-,35-,36+,39+,40-,41-,42-/m0/s1",C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@H](COC(=O)/C=C/c5ccc(O)c(O)c5)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(-c4ccc(O)c(O)c4)oc3c2)[C@@H](O)[C@H](O)[C@H]1O,C42H46O24,pos_1_sodium,934.2379023520002,BNYDLXBTNLOWPZ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Aconitum baicalense,1014257.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum baicalense'],6,3,7.5 66909,2553,189,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,DBYRCYCHEZRNKW-CVSCXZIBSA-N,"InChI=1S/C42H46O24/c43-12-23-28(51)32(55)35(58)40(61-23)59-18-10-21(49)27-22(11-18)60-36(16-4-7-19(47)20(48)9-16)37(31(27)54)65-42-39(34(57)30(53)25(14-45)63-42)66-41-38(33(56)29(52)24(13-44)62-41)64-26(50)8-3-15-1-5-17(46)6-2-15/h1-11,23-25,28-30,32-35,38-49,51-53,55-58H,12-14H2/b8-3+/t23-,24+,25-,28+,29+,30+,32+,33-,34-,35-,38+,39-,40+,41-,42-/m0/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O[C@@H]2[C@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O[C@@H]5O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]5O)cc(O)c4c3=O)O[C@@H](CO)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O,C42H46O24,pos_1_sodium,934.237902352,DBYRCYCHEZRNKW,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus biternatus,692884.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus biternatus'],6,3,7.5 66910,2553,189,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,DBYRCYCHEZRNKW-CVSCXZIBSA-N,"InChI=1S/C42H46O24/c43-12-23-28(51)32(55)35(58)40(61-23)59-18-10-21(49)27-22(11-18)60-36(16-4-7-19(47)20(48)9-16)37(31(27)54)65-42-39(34(57)30(53)25(14-45)63-42)66-41-38(33(56)29(52)24(13-44)62-41)64-26(50)8-3-15-1-5-17(46)6-2-15/h1-11,23-25,28-30,32-35,38-49,51-53,55-58H,12-14H2/b8-3+/t23-,24+,25-,28+,29+,30+,32+,33-,34-,35-,38+,39-,40+,41-,42-/m0/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O[C@@H]2[C@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O[C@@H]5O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]5O)cc(O)c4c3=O)O[C@@H](CO)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O,C42H46O24,pos_1_sodium,934.237902352,DBYRCYCHEZRNKW,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus pseudotrullifolius,456902.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus pseudotrullifolius'],6,3,7.5 66911,2553,189,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,DBYRCYCHEZRNKW-CVSCXZIBSA-N,"InChI=1S/C42H46O24/c43-12-23-28(51)32(55)35(58)40(61-23)59-18-10-21(49)27-22(11-18)60-36(16-4-7-19(47)20(48)9-16)37(31(27)54)65-42-39(34(57)30(53)25(14-45)63-42)66-41-38(33(56)29(52)24(13-44)62-41)64-26(50)8-3-15-1-5-17(46)6-2-15/h1-11,23-25,28-30,32-35,38-49,51-53,55-58H,12-14H2/b8-3+/t23-,24+,25-,28+,29+,30+,32+,33-,34-,35-,38+,39-,40+,41-,42-/m0/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O[C@@H]2[C@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O[C@@H]5O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]5O)cc(O)c4c3=O)O[C@@H](CO)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O,C42H46O24,pos_1_sodium,934.237902352,DBYRCYCHEZRNKW,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus moseleyi,6132641.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus moseleyi'],6,3,7.5 66912,2553,189,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,DBYRCYCHEZRNKW-MDGSKLIASA-N,"InChI=1S/C42H46O24/c43-12-23-28(51)32(55)35(58)40(61-23)59-18-10-21(49)27-22(11-18)60-36(16-4-7-19(47)20(48)9-16)37(31(27)54)65-42-39(34(57)30(53)25(14-45)63-42)66-41-38(33(56)29(52)24(13-44)62-41)64-26(50)8-3-15-1-5-17(46)6-2-15/h1-11,23-25,28-30,32-35,38-49,51-53,55-58H,12-14H2/b8-3+/t23-,24-,25-,28-,29-,30-,32+,33+,34+,35-,38-,39-,40-,41+,42+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O[C@H]2[C@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc(O)c4c3=O)O[C@H](CO)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O,C42H46O24,pos_1_sodium,934.237902352,DBYRCYCHEZRNKW,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus lanuginosus,714306.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus lanuginosus'],6,3,7.5 66913,2553,189,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JAZBWZUFPUBNJK-HVHNSLKISA-N,"InChI=1S/C42H46O24/c1-58-23-8-15(2-5-19(23)46)3-7-27(50)64-38-29(51)22(49)14-59-41(38)66-39-34(56)31(53)26(13-44)63-42(39)65-37-32(54)28-21(48)10-17(60-40-35(57)33(55)30(52)25(12-43)62-40)11-24(28)61-36(37)16-4-6-18(45)20(47)9-16/h2-11,22,25-26,29-31,33-35,38-49,51-53,55-57H,12-14H2,1H3/b7-3+/t22-,25+,26-,29-,30-,31-,33+,34+,35+,38-,39-,40-,41-,42+/m1/s1",COc1cc(/C=C/C(=O)O[C@H]2[C@@H](O[C@H]3[C@H](Oc4c(-c5ccc(O)c(O)c5)oc5cc(O[C@@H]6O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]6O)cc(O)c5c4=O)O[C@H](CO)[C@@H](O)[C@@H]3O)OC[C@@H](O)[C@H]2O)ccc1O,C42H46O24,pos_1_sodium,934.237902352,JAZBWZUFPUBNJK,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus,387812.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Unknown'],6,3,7.5 66774,2549,242,Fatty acids,Sesquiterpenoids,Furans,0.57329744,ISDB,OUWXZGMEFZQYEK-WQLSENKSSA-N,"InChI=1S/C16H24O2/c1-9-5-6-13(8-12(4)16(17)18)15-11(3)7-10(2)14(9)15/h8-10,13-14H,5-7H2,1-4H3,(H,17,18)/b12-8-",CC1=C2C(/C=C(/C)C(=O)O)CCC(C)C2C(C)C1,C16H24O2,,248.177630008,OUWXZGMEFZQYEK,Terpenoids,Sesquiterpenoids,Valerenane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,2,9.293189764022827 66763,2545,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.94979936,ISDB,FCJIWTZAADYCGI-LUFRPPBASA-N,"InChI=1S/C20H24O12/c21-10-6-28-19(17(26)14(10)23)29-7-12-15(24)16(25)18(27)20(32-12)30-9-3-1-8-2-4-13(22)31-11(8)5-9/h1-5,10,12,14-21,23-27H,6-7H2/t10-,12-,14+,15-,16+,17-,18-,19+,20-/m1/s1",O=c1ccc2ccc(O[C@@H]3O[C@H](CO[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc2o1,C20H24O12,,456.126776208,FCJIWTZAADYCGI,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Stellera chamaejasme,191882.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Thymelaeaceae'],['Unknown'],['Stellera'],['Stellera chamaejasme'],4,1,8.299197435379028 66756,2540,73,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.3747279,ISDB,WPEKKKYUGODPOL-JMRWPWSNSA-N,"InChI=1S/C43H66O10/c1-13-25(5)35(45)38(47)52-30-22-42(10)29(27-20-28(51-23-27)19-24(3)4)15-16-31(42)43(11)33(53-39(48)36(46)26(6)14-2)21-32(40(7,8)49)41(9,37(30)43)18-17-34(44)50-12/h13-14,16,19,27-30,32-33,35-37,45-46,49H,15,17-18,20-23H2,1-12H3/b25-13+,26-14+/t27-,28-,29+,30-,32+,33-,35-,36-,37-,41+,42+,43-/m1/s1",C/C=C(\C)[C@@H](O)C(=O)O[C@@H]1C[C@]2(C)C(=CC[C@H]2[C@H]2CO[C@H](C=C(C)C)C2)[C@@]2(C)[C@H]1[C@@](C)(CCC(=O)OC)[C@H](C(C)(C)O)C[C@H]2OC(=O)[C@H](O)/C(C)=C/C,C43H66O10,,742.465598312,WPEKKKYUGODPOL,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Aglaia argentea,627552.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Aglaia'],['Aglaia argentea'],4,2,6.498911619186401 66743,2539,-1,,,,0.37039867,ISDB,QBXRXORKIXERDE-JJPYBHRJSA-N,"InChI=1S/C42H46O25/c43-11-23-28(52)32(56)35(59)40(62-23)60-16-9-21(50)27-22(10-16)61-36(15-3-5-18(47)20(49)8-15)37(31(27)55)66-42-39(34(58)30(54)25(13-45)64-42)67-41-38(33(57)29(53)24(12-44)63-41)65-26(51)6-2-14-1-4-17(46)19(48)7-14/h1-10,23-25,28-30,32-35,38-50,52-54,56-59H,11-13H2/b6-2+/t23-,24+,25+,28+,29+,30+,32-,33-,34-,35+,38-,39-,40+,41-,42-/m0/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1[C@H](O[C@@H]2[C@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O[C@@H]5O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc(O)c4c3=O)O[C@H](CO)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O,C42H46O25,,950.232816972,QBXRXORKIXERDE,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus biternatus,692884.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus biternatus'],6,0,7.481594681739807 66744,2539,-1,,,,0.37039867,ISDB,QBXRXORKIXERDE-JJPYBHRJSA-N,"InChI=1S/C42H46O25/c43-11-23-28(52)32(56)35(59)40(62-23)60-16-9-21(50)27-22(10-16)61-36(15-3-5-18(47)20(49)8-15)37(31(27)55)66-42-39(34(58)30(54)25(13-45)64-42)67-41-38(33(57)29(53)24(12-44)63-41)65-26(51)6-2-14-1-4-17(46)19(48)7-14/h1-10,23-25,28-30,32-35,38-50,52-54,56-59H,11-13H2/b6-2+/t23-,24+,25+,28+,29+,30+,32-,33-,34-,35+,38-,39-,40+,41-,42-/m0/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1[C@H](O[C@@H]2[C@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O[C@@H]5O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc(O)c4c3=O)O[C@H](CO)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O,C42H46O25,,950.232816972,QBXRXORKIXERDE,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus pseudotrullifolius,456902.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus pseudotrullifolius'],6,0,7.481594681739807 66745,2539,-1,,,,0.37039867,ISDB,QBXRXORKIXERDE-JJPYBHRJSA-N,"InChI=1S/C42H46O25/c43-11-23-28(52)32(56)35(59)40(62-23)60-16-9-21(50)27-22(10-16)61-36(15-3-5-18(47)20(49)8-15)37(31(27)55)66-42-39(34(58)30(54)25(13-45)64-42)67-41-38(33(57)29(53)24(12-44)63-41)65-26(51)6-2-14-1-4-17(46)19(48)7-14/h1-10,23-25,28-30,32-35,38-50,52-54,56-59H,11-13H2/b6-2+/t23-,24+,25+,28+,29+,30+,32-,33-,34-,35+,38-,39-,40+,41-,42-/m0/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1[C@H](O[C@@H]2[C@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O[C@@H]5O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc(O)c4c3=O)O[C@H](CO)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O,C42H46O25,,950.232816972,QBXRXORKIXERDE,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus moseleyi,6132641.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus moseleyi'],6,0,7.481594681739807 66746,2539,-1,,,,0.37039867,ISDB,QBXRXORKIXERDE-QLYLRAMCSA-N,"InChI=1S/C42H46O25/c43-11-23-28(52)32(56)35(59)40(62-23)60-16-9-21(50)27-22(10-16)61-36(15-3-5-18(47)20(49)8-15)37(31(27)55)66-42-39(34(58)30(54)25(13-45)64-42)67-41-38(33(57)29(53)24(12-44)63-41)65-26(51)6-2-14-1-4-17(46)19(48)7-14/h1-10,23-25,28-30,32-35,38-50,52-54,56-59H,11-13H2/b6-2+/t23-,24-,25-,28-,29-,30-,32+,33+,34+,35-,38-,39-,40-,41+,42+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O[C@H]2[C@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc(O)c4c3=O)O[C@H](CO)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O,C42H46O25,,950.232816972,QBXRXORKIXERDE,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus peltatus,816424.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus peltatus'],6,0,7.481594681739807 66736,2538,-1,,,,0.37717223,ISDB,BNJOMEMREVKHBU-UHFFFAOYSA-N,"InChI=1S/C11H10O4/c1-13-9-6-11-10(14-7-15-11)5-8(9)3-2-4-12/h2-6H,7H2,1H3",COc1cc2c(cc1C=CC=O)OCO2,C11H10O4,,206.0579088,BNJOMEMREVKHBU,Shikimates and Phenylpropanoids,,,Esenbeckia almawillia,6126252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Esenbeckia'],['Esenbeckia almawillia'],4,0,5.508688926696777 66502,2535,79,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.27688673,ISDB,MHXCIKYXNYCMHY-AUSJPIAWSA-N,"InChI=1S/C20H24O6/c1-24-18-8-12(3-5-16(18)22)7-14-11-26-20(15(14)10-21)13-4-6-17(23)19(9-13)25-2/h3-6,8-9,14-15,20-23H,7,10-11H2,1-2H3/t14-,15-,20+/m0/s1",COc1cc(C[C@H]2CO[C@H](c3ccc(O)c(OC)c3)[C@H]2CO)ccc1O,C20H24O6,,360.157288488,MHXCIKYXNYCMHY,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Morina chinensis,68249.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Morina'],['Morina chinensis'],6,2,8.107546925544739 66497,2534,1,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,QNDLGCSMZUBKMI-ASTYLPHCSA-N,"InChI=1S/C26H34O12/c1-14(27)32-11-17-12-33-23(36-21(31)10-25(6,7)38-16(3)29)22-18(17)8-19(26(22)13-34-26)35-20(30)9-24(4,5)37-15(2)28/h8,12,19,22-23H,9-11,13H2,1-7H3/t19-,22+,23-,26+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)(C)OC(C)=O)[C@H]2C1=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1,C26H34O12,pos_1_1proton1ammonium,538.205026528,QNDLGCSMZUBKMI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana pulvinata,7625148.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana pulvinata'],6,3,7.5 66442,2533,79,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.30769965,ISDB,KNFOHFRALRKTOJ-DTIHIKGDSA-N,"InChI=1S/C26H34O11/c1-33-19-8-13(3-5-17(19)29)7-15-12-35-25(16(15)10-27)14-4-6-18(20(9-14)34-2)36-26-24(32)23(31)22(30)21(11-28)37-26/h3-6,8-9,15-16,21-32H,7,10-12H2,1-2H3/t15-,16-,21-,22-,23+,24-,25+,26-/m1/s1",COc1cc(C[C@@H]2CO[C@@H](c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c3)[C@@H]2CO)ccc1O,C26H34O11,,522.2101119079998,KNFOHFRALRKTOJ,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Clematis hexapetala,226633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis hexapetala'],8,2,10.230798602104187 66443,2533,79,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.30769965,ISDB,KNFOHFRALRKTOJ-SAOYRWCPSA-N,"InChI=1S/C26H34O11/c1-33-19-8-13(3-5-17(19)29)7-15-12-35-25(16(15)10-27)14-4-6-18(20(9-14)34-2)36-26-24(32)23(31)22(30)21(11-28)37-26/h3-6,8-9,15-16,21-32H,7,10-12H2,1-2H3/t15-,16-,21+,22+,23-,24+,25+,26+/m0/s1",COc1cc(C[C@H]2CO[C@H](c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c3)[C@H]2CO)ccc1O,C26H34O11,,522.2101119079998,KNFOHFRALRKTOJ,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Clematis stans,21283.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis stans'],8,2,10.230798602104187 66441,2531,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.83430046,ISDB,,,,,,,UDATXGSDHZXTEH,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,3.3372018337249756 66411,2530,-1,,,,0.51987875,ISDB,VHVLBZCVJBGAGR-UHFFFAOYSA-N,"InChI=1S/C9H12O/c10-9-6-2-4-7-3-1-5-8(7)9/h5,7H,1-4,6H2",O=C1CCCC2CCC=C12,C9H12O,,136.088815004,VHVLBZCVJBGAGR,,,,Nepeta nepetella,482710.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Nepeta'],['Nepeta nepetella'],4,0,6.079514980316162 66401,2528,73,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.29873818,ISDB,JCNOHQSTTZAMOE-STUKLFKUSA-N,"InChI=1S/C43H68O10/c1-11-30(24(2)3)13-12-25(4)34-16-17-35-33-15-14-31-22-32(18-20-42(31,9)36(33)19-21-43(34,35)10)52-41-40(51-29(8)47)39(50-28(7)46)38(49-27(6)45)37(53-41)23-48-26(5)44/h14,24-25,30,32-41H,11-13,15-23H2,1-10H3/t25-,30-,32+,33+,34-,35+,36+,37-,38-,39+,40-,41-,42+,43-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]5OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C43H68O10,,744.4812483759999,JCNOHQSTTZAMOE,Terpenoids,Steroids,Cholestane steroids,Corymbia citriodora,409369.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Eucalypteae'],['Corymbia'],['Corymbia citriodora'],4,1,5.694952726364136 66402,2528,73,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.29873818,ISDB,JCNOHQSTTZAMOE-STUKLFKUSA-N,"InChI=1S/C43H68O10/c1-11-30(24(2)3)13-12-25(4)34-16-17-35-33-15-14-31-22-32(18-20-42(31,9)36(33)19-21-43(34,35)10)52-41-40(51-29(8)47)39(50-28(7)46)38(49-27(6)45)37(53-41)23-48-26(5)44/h14,24-25,30,32-41H,11-13,15-23H2,1-10H3/t25-,30-,32+,33+,34-,35+,36+,37-,38-,39+,40-,41-,42+,43-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]5OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C43H68O10,,744.4812483759999,JCNOHQSTTZAMOE,Terpenoids,Steroids,Cholestane steroids,Rosa transmorrisonensis,3905058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa transmorrisonensis'],4,1,5.694952726364136 66403,2528,73,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.29873818,ISDB,JCNOHQSTTZAMOE-UHFFFAOYSA-N,"InChI=1S/C43H68O10/c1-11-30(24(2)3)13-12-25(4)34-16-17-35-33-15-14-31-22-32(18-20-42(31,9)36(33)19-21-43(34,35)10)52-41-40(51-29(8)47)39(50-28(7)46)38(49-27(6)45)37(53-41)23-48-26(5)44/h14,24-25,30,32-41H,11-13,15-23H2,1-10H3",CCC(CCC(C)C1CCC2C3CC=C4CC(OC5OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C5OC(C)=O)CCC4(C)C3CCC12C)C(C)C,C43H68O10,,744.481248376,JCNOHQSTTZAMOE,Terpenoids,Steroids,Cholestane steroids,Picramnia antidesma,376693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Picramniales'],['Picramniaceae'],['Unknown'],['Picramnia'],['Picramnia antidesma'],4,1,5.694952726364136 66404,2528,73,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.29873818,ISDB,JCNOHQSTTZAMOE-STUKLFKUSA-N,"InChI=1S/C43H68O10/c1-11-30(24(2)3)13-12-25(4)34-16-17-35-33-15-14-31-22-32(18-20-42(31,9)36(33)19-21-43(34,35)10)52-41-40(51-29(8)47)39(50-28(7)46)38(49-27(6)45)37(53-41)23-48-26(5)44/h14,24-25,30,32-41H,11-13,15-23H2,1-10H3/t25-,30-,32+,33+,34-,35+,36+,37-,38-,39+,40-,41-,42+,43-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]5OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C43H68O10,,744.4812483759999,JCNOHQSTTZAMOE,Terpenoids,Steroids,Cholestane steroids,Dorstenia mannii,923990.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Dorstenia'],['Dorstenia mannii'],4,1,5.694952726364136 66405,2528,73,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.29873818,ISDB,JCNOHQSTTZAMOE-STUKLFKUSA-N,"InChI=1S/C43H68O10/c1-11-30(24(2)3)13-12-25(4)34-16-17-35-33-15-14-31-22-32(18-20-42(31,9)36(33)19-21-43(34,35)10)52-41-40(51-29(8)47)39(50-28(7)46)38(49-27(6)45)37(53-41)23-48-26(5)44/h14,24-25,30,32-41H,11-13,15-23H2,1-10H3/t25-,30-,32+,33+,34-,35+,36+,37-,38-,39+,40-,41-,42+,43-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]5OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C43H68O10,,744.4812483759999,JCNOHQSTTZAMOE,Terpenoids,Steroids,Cholestane steroids,Iryanthera lancifolia,111996.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Myristicaceae'],['Unknown'],['Iryanthera'],['Iryanthera lancifolia'],4,1,5.694952726364136 66406,2528,73,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.29873818,ISDB,JCNOHQSTTZAMOE-STUKLFKUSA-N,"InChI=1S/C43H68O10/c1-11-30(24(2)3)13-12-25(4)34-16-17-35-33-15-14-31-22-32(18-20-42(31,9)36(33)19-21-43(34,35)10)52-41-40(51-29(8)47)39(50-28(7)46)38(49-27(6)45)37(53-41)23-48-26(5)44/h14,24-25,30,32-41H,11-13,15-23H2,1-10H3/t25-,30-,32+,33+,34-,35+,36+,37-,38-,39+,40-,41-,42+,43-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]5OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C43H68O10,,744.4812483759999,JCNOHQSTTZAMOE,Terpenoids,Steroids,Cholestane steroids,Eucalyptus globulus,847929.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Eucalypteae'],['Eucalyptus'],['Eucalyptus globulus'],4,1,5.694952726364136 66407,2528,73,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.29873818,ISDB,JCNOHQSTTZAMOE-STUKLFKUSA-N,"InChI=1S/C43H68O10/c1-11-30(24(2)3)13-12-25(4)34-16-17-35-33-15-14-31-22-32(18-20-42(31,9)36(33)19-21-43(34,35)10)52-41-40(51-29(8)47)39(50-28(7)46)38(49-27(6)45)37(53-41)23-48-26(5)44/h14,24-25,30,32-41H,11-13,15-23H2,1-10H3/t25-,30-,32+,33+,34-,35+,36+,37-,38-,39+,40-,41-,42+,43-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]5OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C43H68O10,,744.4812483759999,JCNOHQSTTZAMOE,Terpenoids,Steroids,Cholestane steroids,Polyalthia longifolia,204189.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Miliuseae'],['Monoon'],['Monoon longifolium'],4,1,5.694952726364136 66408,2528,73,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.29873818,ISDB,JCNOHQSTTZAMOE-STUKLFKUSA-N,"InChI=1S/C43H68O10/c1-11-30(24(2)3)13-12-25(4)34-16-17-35-33-15-14-31-22-32(18-20-42(31,9)36(33)19-21-43(34,35)10)52-41-40(51-29(8)47)39(50-28(7)46)38(49-27(6)45)37(53-41)23-48-26(5)44/h14,24-25,30,32-41H,11-13,15-23H2,1-10H3/t25-,30-,32+,33+,34-,35+,36+,37-,38-,39+,40-,41-,42+,43-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]5OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C43H68O10,,744.4812483759999,JCNOHQSTTZAMOE,Terpenoids,Steroids,Cholestane steroids,Gymnosporia diversifolia,420497.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Gymnosporia'],['Gymnosporia diversifolia'],4,1,5.694952726364136 66399,2526,-1,,,,0.0,MS1_match,MLIXRKUBDYCIFK-HQJQHLMTSA-N,"InChI=1S/C11H14O3/c1-7-4-3-5-8-10(13)14-9(12)6-11(7,8)2/h5,7H,3-4,6H2,1-2H3/t7-,11+/m1/s1",C[C@@H]1CCC=C2C(=O)OC(=O)C[C@]21C,C11H14O3,pos_2MNa,194.094294308,MLIXRKUBDYCIFK,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Nardostachys jatamansi,24101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Nardostachys'],['Nardostachys jatamansi'],6,0,6.0 66400,2526,-1,,,,0.0,MS1_match,UYGYXBOUYJLANA-CCXSFMJYSA-N,"InChI=1S/C11H14O3/c1-6-4-7(12)5-8-9(13)2-3-10(14)11(6)8/h2-3,5-7,10-12,14H,4H2,1H3/t6-,7-,10-,11+/m1/s1",C[C@@H]1C[C@@H](O)C=C2C(=O)C=C[C@@H](O)[C@H]21,C11H14O3,pos_2MNa,194.094294308,UYGYXBOUYJLANA,Terpenoids,,,Nardostachys jatamansi,24101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Nardostachys'],['Nardostachys jatamansi'],6,0,6.0 66395,2520,189,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,QBXRXORKIXERDE-JJPYBHRJSA-N,"InChI=1S/C42H46O25/c43-11-23-28(52)32(56)35(59)40(62-23)60-16-9-21(50)27-22(10-16)61-36(15-3-5-18(47)20(49)8-15)37(31(27)55)66-42-39(34(58)30(54)25(13-45)64-42)67-41-38(33(57)29(53)24(12-44)63-41)65-26(51)6-2-14-1-4-17(46)19(48)7-14/h1-10,23-25,28-30,32-35,38-50,52-54,56-59H,11-13H2/b6-2+/t23-,24+,25+,28+,29+,30+,32-,33-,34-,35+,38-,39-,40+,41-,42-/m0/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1[C@H](O[C@@H]2[C@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O[C@@H]5O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc(O)c4c3=O)O[C@H](CO)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O,C42H46O25,pos_1_sodium,950.232816972,QBXRXORKIXERDE,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus biternatus,692884.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus biternatus'],6,3,7.5 66396,2520,189,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,QBXRXORKIXERDE-JJPYBHRJSA-N,"InChI=1S/C42H46O25/c43-11-23-28(52)32(56)35(59)40(62-23)60-16-9-21(50)27-22(10-16)61-36(15-3-5-18(47)20(49)8-15)37(31(27)55)66-42-39(34(58)30(54)25(13-45)64-42)67-41-38(33(57)29(53)24(12-44)63-41)65-26(51)6-2-14-1-4-17(46)19(48)7-14/h1-10,23-25,28-30,32-35,38-50,52-54,56-59H,11-13H2/b6-2+/t23-,24+,25+,28+,29+,30+,32-,33-,34-,35+,38-,39-,40+,41-,42-/m0/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1[C@H](O[C@@H]2[C@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O[C@@H]5O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc(O)c4c3=O)O[C@H](CO)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O,C42H46O25,pos_1_sodium,950.232816972,QBXRXORKIXERDE,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus pseudotrullifolius,456902.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus pseudotrullifolius'],6,3,7.5 66397,2520,189,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,QBXRXORKIXERDE-JJPYBHRJSA-N,"InChI=1S/C42H46O25/c43-11-23-28(52)32(56)35(59)40(62-23)60-16-9-21(50)27-22(10-16)61-36(15-3-5-18(47)20(49)8-15)37(31(27)55)66-42-39(34(58)30(54)25(13-45)64-42)67-41-38(33(57)29(53)24(12-44)63-41)65-26(51)6-2-14-1-4-17(46)19(48)7-14/h1-10,23-25,28-30,32-35,38-50,52-54,56-59H,11-13H2/b6-2+/t23-,24+,25+,28+,29+,30+,32-,33-,34-,35+,38-,39-,40+,41-,42-/m0/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1[C@H](O[C@@H]2[C@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O[C@@H]5O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc(O)c4c3=O)O[C@H](CO)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O,C42H46O25,pos_1_sodium,950.232816972,QBXRXORKIXERDE,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus moseleyi,6132641.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus moseleyi'],6,3,7.5 66398,2520,189,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,QBXRXORKIXERDE-QLYLRAMCSA-N,"InChI=1S/C42H46O25/c43-11-23-28(52)32(56)35(59)40(62-23)60-16-9-21(50)27-22(10-16)61-36(15-3-5-18(47)20(49)8-15)37(31(27)55)66-42-39(34(58)30(54)25(13-45)64-42)67-41-38(33(57)29(53)24(12-44)63-41)65-26(51)6-2-14-1-4-17(46)19(48)7-14/h1-10,23-25,28-30,32-35,38-50,52-54,56-59H,11-13H2/b6-2+/t23-,24-,25-,28-,29-,30-,32+,33+,34+,35-,38-,39-,40-,41+,42+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O[C@H]2[C@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc(O)c4c3=O)O[C@H](CO)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O,C42H46O25,pos_1_sodium,950.232816972,QBXRXORKIXERDE,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus peltatus,816424.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus peltatus'],6,3,7.5 66383,2517,189,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OFQWLDJQLTUOPM-SEZQLBJOSA-N,"InChI=1S/C41H44O24/c42-11-24-29(52)32(55)34(57)39(61-24)59-16-9-21(48)27-23(10-16)60-35(15-3-5-18(45)20(47)8-15)36(31(27)54)64-41-38(33(56)30(53)25(12-43)62-41)65-40-37(28(51)22(49)13-58-40)63-26(50)6-2-14-1-4-17(44)19(46)7-14/h1-10,22,24-25,28-30,32-34,37-49,51-53,55-57H,11-13H2/b6-2+/t22-,24-,25-,28-,29+,30+,32-,33-,34+,37+,38+,39+,40+,41-/m0/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@@H](O[C@H]2[C@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O[C@@H]5O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc(O)c4c3=O)O[C@@H](CO)[C@@H](O)[C@@H]2O)OC[C@H](O)[C@@H]1O,C41H44O24,pos_1_sodium,920.222252288,OFQWLDJQLTUOPM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus biternatus,692884.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus biternatus'],6,3,7.5 66384,2517,189,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OFQWLDJQLTUOPM-SEZQLBJOSA-N,"InChI=1S/C41H44O24/c42-11-24-29(52)32(55)34(57)39(61-24)59-16-9-21(48)27-23(10-16)60-35(15-3-5-18(45)20(47)8-15)36(31(27)54)64-41-38(33(56)30(53)25(12-43)62-41)65-40-37(28(51)22(49)13-58-40)63-26(50)6-2-14-1-4-17(44)19(46)7-14/h1-10,22,24-25,28-30,32-34,37-49,51-53,55-57H,11-13H2/b6-2+/t22-,24-,25-,28-,29+,30+,32-,33-,34+,37+,38+,39+,40+,41-/m0/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@@H](O[C@H]2[C@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O[C@@H]5O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc(O)c4c3=O)O[C@@H](CO)[C@@H](O)[C@@H]2O)OC[C@H](O)[C@@H]1O,C41H44O24,pos_1_sodium,920.222252288,OFQWLDJQLTUOPM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus pseudotrullifolius,456902.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus pseudotrullifolius'],6,3,7.5 66385,2517,189,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OFQWLDJQLTUOPM-SEZQLBJOSA-N,"InChI=1S/C41H44O24/c42-11-24-29(52)32(55)34(57)39(61-24)59-16-9-21(48)27-23(10-16)60-35(15-3-5-18(45)20(47)8-15)36(31(27)54)64-41-38(33(56)30(53)25(12-43)62-41)65-40-37(28(51)22(49)13-58-40)63-26(50)6-2-14-1-4-17(44)19(46)7-14/h1-10,22,24-25,28-30,32-34,37-49,51-53,55-57H,11-13H2/b6-2+/t22-,24-,25-,28-,29+,30+,32-,33-,34+,37+,38+,39+,40+,41-/m0/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@@H](O[C@H]2[C@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O[C@@H]5O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc(O)c4c3=O)O[C@@H](CO)[C@@H](O)[C@@H]2O)OC[C@H](O)[C@@H]1O,C41H44O24,pos_1_sodium,920.222252288,OFQWLDJQLTUOPM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus moseleyi,6132641.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus moseleyi'],6,3,7.5 66386,2517,189,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OFQWLDJQLTUOPM-VTFVVPIRSA-N,"InChI=1S/C41H44O24/c42-11-24-29(52)32(55)34(57)39(61-24)59-16-9-21(48)27-23(10-16)60-35(15-3-5-18(45)20(47)8-15)36(31(27)54)64-41-38(33(56)30(53)25(12-43)62-41)65-40-37(28(51)22(49)13-58-40)63-26(50)6-2-14-1-4-17(44)19(46)7-14/h1-10,22,24-25,28-30,32-34,37-49,51-53,55-57H,11-13H2/b6-2+/t22-,24-,25+,28+,29-,30-,32-,33+,34+,37-,38+,39+,40-,41+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@@H](O[C@@H]2[C@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O[C@H]5O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]5O)cc(O)c4c3=O)O[C@@H](CO)[C@@H](O)[C@@H]2O)OC[C@@H](O)[C@@H]1O,C41H44O24,pos_1_sodium,920.2222522880004,OFQWLDJQLTUOPM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Helleborus viridis,948053.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Helleboreae'],['Helleborus'],['Helleborus viridis'],6,3,7.5 66387,2517,189,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OFQWLDJQLTUOPM-FLQGFQTKSA-N,"InChI=1S/C41H44O24/c42-11-24-29(52)32(55)34(57)39(61-24)59-16-9-21(48)27-23(10-16)60-35(15-3-5-18(45)20(47)8-15)36(31(27)54)64-41-38(33(56)30(53)25(12-43)62-41)65-40-37(28(51)22(49)13-58-40)63-26(50)6-2-14-1-4-17(44)19(46)7-14/h1-10,22,24-25,28-30,32-34,37-49,51-53,55-57H,11-13H2/b6-2+/t22-,24+,25+,28-,29+,30-,32-,33-,34+,37+,38+,39+,40-,41-/m0/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O[C@H]2[C@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc(O)c4c3=O)O[C@H](CO)[C@H](O)[C@@H]2O)OC[C@H](O)[C@@H]1O,C41H44O24,pos_1_sodium,920.2222522880004,OFQWLDJQLTUOPM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus chinensis,162150.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus chinensis'],6,3,7.5 66388,2517,189,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OFQWLDJQLTUOPM-FLQGFQTKSA-N,"InChI=1S/C41H44O24/c42-11-24-29(52)32(55)34(57)39(61-24)59-16-9-21(48)27-23(10-16)60-35(15-3-5-18(45)20(47)8-15)36(31(27)54)64-41-38(33(56)30(53)25(12-43)62-41)65-40-37(28(51)22(49)13-58-40)63-26(50)6-2-14-1-4-17(44)19(46)7-14/h1-10,22,24-25,28-30,32-34,37-49,51-53,55-57H,11-13H2/b6-2+/t22-,24+,25+,28-,29+,30-,32-,33-,34+,37+,38+,39+,40-,41-/m0/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O[C@H]2[C@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc(O)c4c3=O)O[C@H](CO)[C@H](O)[C@@H]2O)OC[C@H](O)[C@@H]1O,C41H44O24,pos_1_sodium,920.2222522880004,OFQWLDJQLTUOPM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus cantoniensis,118756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus cantoniensis'],6,3,7.5 66389,2517,189,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OFQWLDJQLTUOPM-SEZQLBJOSA-N,"InChI=1S/C41H44O24/c42-11-24-29(52)32(55)34(57)39(61-24)59-16-9-21(48)27-23(10-16)60-35(15-3-5-18(45)20(47)8-15)36(31(27)54)64-41-38(33(56)30(53)25(12-43)62-41)65-40-37(28(51)22(49)13-58-40)63-26(50)6-2-14-1-4-17(44)19(46)7-14/h1-10,22,24-25,28-30,32-34,37-49,51-53,55-57H,11-13H2/b6-2+/t22-,24-,25-,28-,29+,30+,32-,33-,34+,37+,38+,39+,40+,41-/m0/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@@H](O[C@H]2[C@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O[C@@H]5O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc(O)c4c3=O)O[C@@H](CO)[C@@H](O)[C@@H]2O)OC[C@H](O)[C@@H]1O,C41H44O24,pos_1_sodium,920.222252288,OFQWLDJQLTUOPM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus biternatus,692884.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus biternatus'],6,3,7.5 66390,2517,189,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OFQWLDJQLTUOPM-SEZQLBJOSA-N,"InChI=1S/C41H44O24/c42-11-24-29(52)32(55)34(57)39(61-24)59-16-9-21(48)27-23(10-16)60-35(15-3-5-18(45)20(47)8-15)36(31(27)54)64-41-38(33(56)30(53)25(12-43)62-41)65-40-37(28(51)22(49)13-58-40)63-26(50)6-2-14-1-4-17(44)19(46)7-14/h1-10,22,24-25,28-30,32-34,37-49,51-53,55-57H,11-13H2/b6-2+/t22-,24-,25-,28-,29+,30+,32-,33-,34+,37+,38+,39+,40+,41-/m0/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@@H](O[C@H]2[C@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O[C@@H]5O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc(O)c4c3=O)O[C@@H](CO)[C@@H](O)[C@@H]2O)OC[C@H](O)[C@@H]1O,C41H44O24,pos_1_sodium,920.222252288,OFQWLDJQLTUOPM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus pseudotrullifolius,456902.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus pseudotrullifolius'],6,3,7.5 66391,2517,189,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OFQWLDJQLTUOPM-SEZQLBJOSA-N,"InChI=1S/C41H44O24/c42-11-24-29(52)32(55)34(57)39(61-24)59-16-9-21(48)27-23(10-16)60-35(15-3-5-18(45)20(47)8-15)36(31(27)54)64-41-38(33(56)30(53)25(12-43)62-41)65-40-37(28(51)22(49)13-58-40)63-26(50)6-2-14-1-4-17(44)19(46)7-14/h1-10,22,24-25,28-30,32-34,37-49,51-53,55-57H,11-13H2/b6-2+/t22-,24-,25-,28-,29+,30+,32-,33-,34+,37+,38+,39+,40+,41-/m0/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@@H](O[C@H]2[C@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O[C@@H]5O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc(O)c4c3=O)O[C@@H](CO)[C@@H](O)[C@@H]2O)OC[C@H](O)[C@@H]1O,C41H44O24,pos_1_sodium,920.222252288,OFQWLDJQLTUOPM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus moseleyi,6132641.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus moseleyi'],6,3,7.5 66392,2517,189,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OFQWLDJQLTUOPM-VTFVVPIRSA-N,"InChI=1S/C41H44O24/c42-11-24-29(52)32(55)34(57)39(61-24)59-16-9-21(48)27-23(10-16)60-35(15-3-5-18(45)20(47)8-15)36(31(27)54)64-41-38(33(56)30(53)25(12-43)62-41)65-40-37(28(51)22(49)13-58-40)63-26(50)6-2-14-1-4-17(44)19(46)7-14/h1-10,22,24-25,28-30,32-34,37-49,51-53,55-57H,11-13H2/b6-2+/t22-,24-,25+,28+,29-,30-,32-,33+,34+,37-,38+,39+,40-,41+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@@H](O[C@@H]2[C@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O[C@H]5O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]5O)cc(O)c4c3=O)O[C@@H](CO)[C@@H](O)[C@@H]2O)OC[C@@H](O)[C@@H]1O,C41H44O24,pos_1_sodium,920.2222522880004,OFQWLDJQLTUOPM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Helleborus viridis,948053.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Helleboreae'],['Helleborus'],['Helleborus viridis'],6,3,7.5 66393,2517,189,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OFQWLDJQLTUOPM-FLQGFQTKSA-N,"InChI=1S/C41H44O24/c42-11-24-29(52)32(55)34(57)39(61-24)59-16-9-21(48)27-23(10-16)60-35(15-3-5-18(45)20(47)8-15)36(31(27)54)64-41-38(33(56)30(53)25(12-43)62-41)65-40-37(28(51)22(49)13-58-40)63-26(50)6-2-14-1-4-17(44)19(46)7-14/h1-10,22,24-25,28-30,32-34,37-49,51-53,55-57H,11-13H2/b6-2+/t22-,24+,25+,28-,29+,30-,32-,33-,34+,37+,38+,39+,40-,41-/m0/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O[C@H]2[C@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc(O)c4c3=O)O[C@H](CO)[C@H](O)[C@@H]2O)OC[C@H](O)[C@@H]1O,C41H44O24,pos_1_sodium,920.2222522880004,OFQWLDJQLTUOPM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus chinensis,162150.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus chinensis'],6,3,7.5 66394,2517,189,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OFQWLDJQLTUOPM-FLQGFQTKSA-N,"InChI=1S/C41H44O24/c42-11-24-29(52)32(55)34(57)39(61-24)59-16-9-21(48)27-23(10-16)60-35(15-3-5-18(45)20(47)8-15)36(31(27)54)64-41-38(33(56)30(53)25(12-43)62-41)65-40-37(28(51)22(49)13-58-40)63-26(50)6-2-14-1-4-17(44)19(46)7-14/h1-10,22,24-25,28-30,32-34,37-49,51-53,55-57H,11-13H2/b6-2+/t22-,24+,25+,28-,29+,30-,32-,33-,34+,37+,38+,39+,40-,41-/m0/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O[C@H]2[C@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc(O)c4c3=O)O[C@H](CO)[C@H](O)[C@@H]2O)OC[C@H](O)[C@@H]1O,C41H44O24,pos_1_sodium,920.2222522880004,OFQWLDJQLTUOPM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus cantoniensis,118756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus cantoniensis'],6,3,7.5 66344,2514,7,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.44688004,ISDB,BCNPTKKIVMTZFO-BWEORVRESA-N,"InChI=1S/C22H30O2/c1-17(9-6-7-14-23)10-8-11-18(2)12-13-21-19(3)15-20(24)16-22(21,4)5/h6-14,20,24H,15-16H2,1-5H3/b7-6+,10-8+,13-12+,17-9-,18-11+/t20-/m1/s1",CC1=C(/C=C/C(C)=C/C=C/C(C)=C\C=C\C=O)C(C)(C)C[C@H](O)C1,C22H30O2,,326.2245802,BCNPTKKIVMTZFO,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],0,1,2.287520170211792 66345,2514,7,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.44688004,ISDB,BCNPTKKIVMTZFO-UHFFFAOYSA-N,"InChI=1S/C22H30O2/c1-17(9-6-7-14-23)10-8-11-18(2)12-13-21-19(3)15-20(24)16-22(21,4)5/h6-14,20,24H,15-16H2,1-5H3",CC(C=CC=C(C)C=CC1=C(C)CC(O)CC1(C)C)=CC=CC=O,C22H30O2,,326.2245802,BCNPTKKIVMTZFO,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],0,1,2.287520170211792 66341,2513,-1,,,,0.0,MS1_match,LIXUGUUEUUHFRU-VIFPVBQESA-N,"InChI=1S/C11H14O6/c12-5-9(14)6-17-11(16)3-7-1-2-8(13)4-10(7)15/h1-2,4,9,12-15H,3,5-6H2/t9-/m0/s1",O=C(Cc1ccc(O)cc1O)OC[C@@H](O)CO,C11H14O6,pos_2MHNH3,242.079038168,LIXUGUUEUUHFRU,Shikimates and Phenylpropanoids,,,Nigella damascena,387814.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Nigelleae'],['Nigella'],['Nigella damascena'],6,0,6.0 66340,2511,-1,,,,0.0,MS1_match,RFTKPXQZIVKVOP-PMQCXRHVSA-N,"InChI=1S/C16H20O9/c1-23-10-4-2-8(6-9(10)18)3-5-12(19)25-16-15(22)14(21)13(20)11(7-17)24-16/h2-6,11,13-18,20-22H,7H2,1H3/b5-3+/t11-,13-,14+,15-,16+/m1/s1",COc1ccc(/C=C/C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1O,C16H20O9,pos_2MNa,356.11073222,RFTKPXQZIVKVOP,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Actaea racemosa,512702.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea racemosa'],6,0,6.0 66278,2510,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.8386208,ISDB,WHFHDVDXYKOSKI-UHFFFAOYSA-N,"InChI=1S/C10H12/c1-3-9-5-7-10(4-2)8-6-9/h3,5-8H,1,4H2,2H3",C=Cc1ccc(CC)cc1,C10H12,,132.093900384,WHFHDVDXYKOSKI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Magnolia kobus,664531.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia kobus'],4,0,7.354483127593994 66211,2508,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NLMURPQWNRGYTM-OGGREQCXSA-N,"InChI=1S/C30H34O16/c31-12-19-23(36)25(38)28(41)30(44-19)46-22(35)10-5-15-3-8-17(33)18(11-15)43-29-27(40)26(39)24(37)20(45-29)13-42-21(34)9-4-14-1-6-16(32)7-2-14/h1-11,19-20,23-33,36-41H,12-13H2/b9-4+,10-5+/t19-,20-,23-,24-,25+,26+,27-,28-,29-,30+/m1/s1",O=C(/C=C/c1ccc(O)cc1)OC[C@H]1O[C@@H](Oc2cc(/C=C/C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2O)[C@H](O)[C@@H](O)[C@@H]1O,C30H34O16,pos_2_1proton1sodium,650.1846850080001,NLMURPQWNRGYTM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis tashiroi,21287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tashiroi'],8,3,9.5 66212,2508,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,HFIRFUKEPOQTLQ-KTFGOVRASA-N,"InChI=1S/C30H34O16/c31-12-19-23(36)25(38)28(41)30(44-19)46-22(35)10-4-14-1-6-16(7-2-14)43-29-27(40)26(39)24(37)20(45-29)13-42-21(34)9-5-15-3-8-17(32)18(33)11-15/h1-11,19-20,23-33,36-41H,12-13H2/b9-5+,10-4+/t19-,20-,23-,24-,25+,26+,27-,28-,29-,30+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](Oc2ccc(/C=C/C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C30H34O16,pos_2_1proton1sodium,650.184685008,HFIRFUKEPOQTLQ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis tashiroi,21287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tashiroi'],8,3,9.5 66213,2508,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NJZKNNCKRZJHCK-OGGREQCXSA-N,"InChI=1S/C30H34O16/c31-12-19-23(36)25(38)28(41)30(44-19)46-22(35)10-5-15-3-8-18(17(33)11-15)43-29-27(40)26(39)24(37)20(45-29)13-42-21(34)9-4-14-1-6-16(32)7-2-14/h1-11,19-20,23-33,36-41H,12-13H2/b9-4+,10-5+/t19-,20-,23-,24-,25+,26+,27-,28-,29-,30+/m1/s1",O=C(/C=C/c1ccc(O)cc1)OC[C@H]1O[C@@H](Oc2ccc(/C=C/C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2O)[C@H](O)[C@@H](O)[C@@H]1O,C30H34O16,pos_2_1proton1sodium,650.1846850080001,NJZKNNCKRZJHCK,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis tashiroi,21287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tashiroi'],8,3,9.5 66190,2505,860,Shikimates and Phenylpropanoids,Aromatic polyketides,Griseofulvins,0.21900472,ISDB,DDUHZTYCFQRHIY-RBHXEPJQSA-N,"InChI=1S/C17H17ClO6/c1-8-5-9(19)6-12(23-4)17(8)16(20)13-10(21-2)7-11(22-3)14(18)15(13)24-17/h6-8H,5H2,1-4H3/t8-,17+/m1/s1",COC1=CC(=O)C[C@@H](C)[C@]12Oc1c(Cl)c(OC)cc(OC)c1C2=O,C17H17ClO6,,352.07136594400004,DDUHZTYCFQRHIY,Polyketides,Aromatic polyketides,Griseofulvins,Melodinus khasianus,6067868.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Melodineae'],['Melodinus'],['Melodinus khasianus'],4,3,6.3760188817977905 66191,2505,860,Shikimates and Phenylpropanoids,Aromatic polyketides,Griseofulvins,0.21900472,ISDB,DDUHZTYCFQRHIY-RBHXEPJQSA-N,"InChI=1S/C17H17ClO6/c1-8-5-9(19)6-12(23-4)17(8)16(20)13-10(21-2)7-11(22-3)14(18)15(13)24-17/h6-8H,5H2,1-4H3/t8-,17+/m1/s1",COC1=CC(=O)C[C@@H](C)[C@]12Oc1c(Cl)c(OC)cc(OC)c1C2=O,C17H17ClO6,,352.07136594400004,DDUHZTYCFQRHIY,Polyketides,Aromatic polyketides,Griseofulvins,Melodinus cochinchinensis,669208.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Melodineae'],['Melodinus'],['Melodinus cochinchinensis'],4,3,6.3760188817977905 66187,2499,-1,,,,0.0,MS1_match,ZTKRNEHDDSFTES-RFHDDPBLSA-N,"InChI=1S/C12H15ClO6/c1-5-10-18-9(15)8-11(5,16)3-7(17-6(2)14)12(8,4-13)19-10/h7-10,15-16H,1,3-4H2,2H3/t7-,8-,9+,10-,11-,12+/m1/s1",C=C1[C@@H]2O[C@H](O)[C@H]3[C@@](CCl)(O2)[C@H](OC(C)=O)C[C@@]13O,C12H15ClO6,pos_1_1proton1dmso,290.05571588,ZTKRNEHDDSFTES,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,0,6.0 66188,2499,-1,,,,0.0,MS1_match,ZTKRNEHDDSFTES-UHFFFAOYSA-N,"InChI=1S/C12H15ClO6/c1-5-10-18-9(15)8-11(5,16)3-7(17-6(2)14)12(8,4-13)19-10/h7-10,15-16H,1,3-4H2,2H3",C=C1C2OC(O)C3C1(O)CC(OC(C)=O)C3(CCl)O2,C12H15ClO6,pos_1_1proton1dmso,290.05571588,ZTKRNEHDDSFTES,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 66179,2496,72,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.3074937,ISDB,NJXYDZDDOCQODQ-FCAPPQLESA-N,"InChI=1S/C40H77NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,32-38,40,42-47H,3-18,21-31H2,1-2H3,(H,41,48)/b20-19-/t32-,33+,34+,35+,36+,37-,38+,40+/m0/s1",CCCCCCCCC/C=C\CCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H77NO9,,715.559833044,NJXYDZDDOCQODQ,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],4,3,6.729974746704102 66180,2496,72,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.3074937,ISDB,NJXYDZDDOCQODQ-WSEQXECZSA-N,"InChI=1S/C40H77NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,32-38,40,42-47H,3-18,21-31H2,1-2H3,(H,41,48)/b20-19+/t32-,33+,34+,35+,36+,37-,38+,40+/m0/s1",CCCCCCCCC/C=C/CCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H77NO9,,715.559833044,NJXYDZDDOCQODQ,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Rhaponticum chinense,27810.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Klaseopsis'],['Klaseopsis chinensis'],4,3,6.729974746704102 66181,2496,72,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.3074937,ISDB,NJXYDZDDOCQODQ-WSEQXECZSA-N,"InChI=1S/C40H77NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,32-38,40,42-47H,3-18,21-31H2,1-2H3,(H,41,48)/b20-19+/t32-,33+,34+,35+,36+,37-,38+,40+/m0/s1",CCCCCCCCC/C=C/CCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H77NO9,,715.559833044,NJXYDZDDOCQODQ,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Sagina japonica,161892.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Sagineae'],['Sagina'],['Sagina japonica'],4,3,6.729974746704102 66178,2495,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.4135684,ISDB,,,,,,,OQLJKOCUPPXSDK,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.6542736291885376 66176,2494,772,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,MYCMVOHQQRQCOM-ODXNCKRGSA-N,"InChI=1S/C27H38O13/c1-4-15-16(5-6-35-13(3)29)18(25(34)38-19-7-14-8-21(30)36-10-17(14)12(19)2)11-37-26(15)40-27-24(33)23(32)22(31)20(9-28)39-27/h4,11-12,14-17,19-20,22-24,26-28,31-33H,1,5-10H2,2-3H3/t12-,14-,15+,16+,17-,19+,20-,22-,23+,24-,26+,27+/m1/s1",C=C[C@@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)O[C@H]2C[C@@H]3CC(=O)OC[C@@H]3[C@H]2C)[C@H]1CCOC(C)=O,C27H38O13,pos_1_1proton1ammonium,570.231241276,MYCMVOHQQRQCOM,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Abelia chinensis,589178.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Abelia'],['Abelia chinensis'],6,3,7.5 66177,2494,772,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,RYNMWHZLOPICQA-SCWHPQJBSA-N,"InChI=1S/C27H38O13/c1-10-4-5-12-15(9-37-26(18(10)12)40-27-22(31)21(30)20(29)17(7-28)39-27)23(32)38-16-6-13-14(11(16)2)8-36-25(34)19(13)24(33)35-3/h9-14,16-22,26-31H,4-8H2,1-3H3/t10-,11+,12+,13-,14+,16-,17+,18-,19-,20+,21-,22+,26-,27-/m0/s1",COC(=O)[C@H]1C(=O)OC[C@@H]2[C@@H](C)[C@@H](OC(=O)C3=CO[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]4[C@@H]3CC[C@@H]4C)C[C@H]12,C27H38O13,pos_1_1proton1ammonium,570.2312412759999,RYNMWHZLOPICQA,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Dipsacus laciniatus,489131.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Dipsacus'],['Dipsacus laciniatus'],6,3,7.5 66174,2493,-1,,,,0.0,MS1_match,CVLKSGMETVVYCI-KEOMQFIYSA-N,"InChI=1S/C28H32O16/c1-37-15-7-11-3-5-13(15)41-27-23(33)21(31)19(29)17(43-27)10-40-26(36)12-4-6-14(16(8-12)38-2)42-28-24(34)22(32)20(30)18(44-28)9-39-25(11)35/h3-8,17-24,27-34H,9-10H2,1-2H3/t17-,18-,19-,20-,21-,22+,23-,24-,27-,28-/m1/s1",COc1cc2ccc1O[C@@H]1O[C@H](COC(=O)c3ccc(c(OC)c3)O[C@@H]3O[C@H](COC2=O)[C@@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]1O,C28H32O16,pos_1_1proton1ammonium,624.169034944,CVLKSGMETVVYCI,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Clematis hexapetala,226633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis hexapetala'],8,0,8.0 66175,2493,-1,,,,0.0,MS1_match,CVLKSGMETVVYCI-KEOMQFIYSA-N,"InChI=1S/C28H32O16/c1-37-15-7-11-3-5-13(15)41-27-23(33)21(31)19(29)17(43-27)10-40-26(36)12-4-6-14(16(8-12)38-2)42-28-24(34)22(32)20(30)18(44-28)9-39-25(11)35/h3-8,17-24,27-34H,9-10H2,1-2H3/t17-,18-,19-,20-,21-,22+,23-,24-,27-,28-/m1/s1",COc1cc2ccc1O[C@@H]1O[C@H](COC(=O)c3ccc(c(OC)c3)O[C@@H]3O[C@H](COC2=O)[C@@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]1O,C28H32O16,pos_1_1proton1ammonium,624.169034944,CVLKSGMETVVYCI,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Clematis hexapetala,226633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis hexapetala'],8,0,8.0 66173,2490,872,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,AHOMFGXCQWFXTC-SSEXGKCCSA-N,"InChI=1S/C36H36N2O5/c1-38-15-13-25-20-33(40-3)35(41-4)36-34(25)30(38)18-23-6-5-7-27(16-23)42-26-10-8-22(9-11-26)17-29-28-21-31(39-2)32(43-36)19-24(28)12-14-37-29/h5-11,16,19-21,30H,12-15,17-18H2,1-4H3/t30-/m1/s1",COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1cccc(c1)Oc1ccc(cc1)CC2=NCC3)N(C)CC4,C36H36N2O5,pos_1_1potassium,576.262422252,AHOMFGXCQWFXTC,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Thalictrum minus,491705.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum minus'],6,3,7.5 66100,2488,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,OZBFUQLOVFXDNK-VWYCJHECSA-N,"InChI=1S/C12H18O2/c1-7-5-11(14-8(2)13)10-6-9(7)12(10,3)4/h5,9-11H,6H2,1-4H3/t9-,10+,11+/m1/s1",CC(=O)O[C@H]1C=C(C)[C@H]2C[C@@H]1C2(C)C,C12H18O2,pos_1_1proton1methanol,194.130679816,OZBFUQLOVFXDNK,Terpenoids,Monoterpenoids,Pinane monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,1,6.5 66101,2488,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,BKATZVAUANSCKN-QWRGUYRKSA-N,"InChI=1S/C12H18O2/c1-8(13)14-7-9-4-5-10-6-11(9)12(10,2)3/h4,10-11H,5-7H2,1-3H3/t10-,11-/m0/s1",CC(=O)OCC1=CC[C@H]2C[C@@H]1C2(C)C,C12H18O2,pos_1_1proton1methanol,194.130679816,BKATZVAUANSCKN,Terpenoids,Monoterpenoids,Pinane monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,1,6.5 66102,2488,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,PBWRFXQNNGSAQG-UHFFFAOYSA-N,"InChI=1S/C12H18O2/c1-7(2)12-5-10(12)8(3)11(6-12)14-9(4)13/h7,10-11H,3,5-6H2,1-2,4H3",C=C1C(OC(C)=O)CC2(C(C)C)CC12,C12H18O2,pos_1_1proton1methanol,194.130679816,PBWRFXQNNGSAQG,Terpenoids,Monoterpenoids,Thujane monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,1,6.5 66103,2488,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,GVZSSHYAFJPRJY-GARJFASQSA-N,"InChI=1S/C12H18O2/c1-7-10-5-9(12(7,3)4)6-11(10)14-8(2)13/h9-11H,1,5-6H2,2-4H3/t9-,10-,11+/m0/s1",C=C1[C@@H]2C[C@@H](C[C@H]2OC(C)=O)C1(C)C,C12H18O2,pos_1_1proton1methanol,194.130679816,GVZSSHYAFJPRJY,Terpenoids,Monoterpenoids,Camphane monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,1,6.5 66104,2488,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,RWENJYLCELUBAE-UHFFFAOYSA-N,"InChI=1S/C12H18O2/c1-8(2)10-6-11(13-4)9(3)12(7-10)14-5/h6-8H,1-5H3",COc1cc(C(C)C)cc(OC)c1C,C12H18O2,pos_1_1proton1methanol,194.130679816,RWENJYLCELUBAE,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,1,6.5 66078,2486,7,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.23128848,ISDB,JVHYYZMBYJJGJM-ZMDGZUOKSA-N,"InChI=1S/C40H54O4/c1-29(17-13-19-31(3)21-22-35(42)38(9)26-33(41)25-36(38,5)6)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)27-34(44-40)28-39(40,10)43/h11-24,34,43H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,38-,39+,40+/m0/s1",CC(/C=C/C=C(C)/C=C/C(=O)[C@]1(C)CC(=O)CC1(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]12O[C@@H](CC1(C)C)C[C@@]2(C)O,C40H54O4,,598.402210208,JVHYYZMBYJJGJM,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],4,2,5.925153911113739 66074,2484,-1,,,,0.0,MS1_match,VRYWDBDPXMHHGE-HRPPYHBASA-N,"InChI=1S/C33H40O20/c1-10-19(38)23(42)26(45)31(47-10)48-13-6-14(37)18-15(7-13)49-28(11-2-4-12(36)5-3-11)29(22(18)41)52-33-30(25(44)21(40)17(9-35)51-33)53-32-27(46)24(43)20(39)16(8-34)50-32/h2-7,10,16-17,19-21,23-27,30-40,42-46H,8-9H2,1H3/t10-,16+,17+,19-,20+,21-,23+,24-,25-,26+,27+,30+,31-,32-,33-/m0/s1",C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@H](O)[C@H]1O,C33H40O20,pos_1_1potassium,756.21129368,VRYWDBDPXMHHGE,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Nigella damascena,387814.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Nigelleae'],['Nigella'],['Nigella damascena'],6,0,6.0 66075,2484,-1,,,,0.0,MS1_match,BFCXCFJUDBNEMU-QPIZCGMOSA-N,"InChI=1S/C33H40O20/c1-9-19(37)23(41)26(44)31(48-9)47-8-17-21(39)25(43)28(46)33(52-17)53-30-22(40)18-15(36)6-12(50-32-27(45)24(42)20(38)10(2)49-32)7-16(18)51-29(30)11-3-4-13(34)14(35)5-11/h3-7,9-10,17,19-21,23-28,31-39,41-46H,8H2,1-2H3/t9-,10-,17+,19-,20-,21-,23+,24+,25-,26+,27+,28+,31+,32-,33-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C33H40O20,pos_1_1potassium,756.2112936800003,BFCXCFJUDBNEMU,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Aconitum anthora,14057.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum anthora'],6,0,6.0 66076,2484,-1,,,,0.0,MS1_match,BFCXCFJUDBNEMU-QPIZCGMOSA-N,"InChI=1S/C33H40O20/c1-9-19(37)23(41)26(44)31(48-9)47-8-17-21(39)25(43)28(46)33(52-17)53-30-22(40)18-15(36)6-12(50-32-27(45)24(42)20(38)10(2)49-32)7-16(18)51-29(30)11-3-4-13(34)14(35)5-11/h3-7,9-10,17,19-21,23-28,31-39,41-46H,8H2,1-2H3/t9-,10-,17+,19-,20-,21-,23+,24+,25-,26+,27+,28+,31+,32-,33-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C33H40O20,pos_1_1potassium,756.2112936800003,BFCXCFJUDBNEMU,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Aconitum anthora,14057.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum anthora'],6,0,6.0 66073,2483,-1,,,,0.0,MS1_match,KZPZRTMZTKSHGK-ZLBDBGBFSA-N,"InChI=1S/C28H32O17/c1-40-12-6-11(32)15-19(36)25(23(43-24(15)18(12)35)9-2-4-10(31)5-3-9)44-28-26(21(38)17(34)14(8-30)42-28)45-27-22(39)20(37)16(33)13(7-29)41-27/h2-6,13-14,16-17,20-22,26-35,37-39H,7-8H2,1H3/t13-,14-,16-,17-,20+,21+,22-,26-,27+,28-/m1/s1",COc1cc(O)c2c(=O)c(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(-c3ccc(O)cc3)oc2c1O,C28H32O17,pos_1_1proton,640.163949564,KZPZRTMZTKSHGK,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus sardous,928421.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus sardous'],6,0,6.0 65876,2480,53,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.5399866,ISDB,SWYRVCGNMNAFEK-WENAFLHNSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17+,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Epimedium grandiflorum,655264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Berberidaceae'],['Unknown'],['Epimedium'],['Epimedium grandiflorum'],5,2,8.15994644165039 65873,2479,-1,,,,0.0,MS1_match,AZUURFWEIQDHCN-MZGJNUFDSA-N,"InChI=1S/C40H44O22/c1-14-25(46)29(50)31(52)38(55-14)56-17-10-20(45)24-21(11-17)57-33(16-7-8-18(43)19(44)9-16)35(28(24)49)61-40-36(30(51)26(47)22(12-41)59-40)62-39-32(53)34(27(48)23(13-42)58-39)60-37(54)15-5-3-2-4-6-15/h2-11,14,22-23,25-27,29-32,34,36,38-48,50-53H,12-13H2,1H3/t14-,22+,23+,25-,26+,27+,29+,30-,31+,32+,34-,36+,38+,39-,40-/m1/s1",C[C@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O[C@H]4O[C@@H](CO)[C@H](O)[C@@H](OC(=O)c5ccccc5)[C@@H]4O)c(-c4ccc(O)c(O)c4)oc3c2)[C@@H](O)[C@@H](O)[C@@H]1O,C40H44O22,pos_2_2sodium,876.232423048,AZUURFWEIQDHCN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Delphinium carolinianum,529153.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium carolinianum'],6,0,6.0 65872,2475,-1,,,,0.0,MS1_match,VJVAGEFZPPWVPV-QACLQDTKSA-N,"InChI=1S/C36H40N2O6/c1-37-13-11-23-18-32(41-3)33-19-26(23)28(37)16-22-7-10-30(39)31(17-22)43-24-8-5-21(6-9-24)15-29-27-20-34(42-4)35(40)36(44-33)25(27)12-14-38(29)2/h5-10,17-20,23,26,28-29,39-40H,11-16H2,1-4H3/t23-,26-,28-,29-/m0/s1",COC1=C[C@@H]2CCN(C)[C@H]3Cc4ccc(O)c(c4)Oc4ccc(cc4)C[C@H]4c5cc(OC)c(O)c(c5CCN4C)OC1=C[C@@H]23,C36H40N2O6,pos_1_minus1proton2potassium,596.288637,VJVAGEFZPPWVPV,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Thalictrum minus,491705.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum minus'],6,0,6.0 65468,2474,448,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.6018192,ISDB,VZZQQZMZDJETCS-GUKRZAEASA-N,"InChI=1S/C20H20O5/c1-25-20-12-15(6-11-19(20)24)5-10-18(23)13-17(22)9-4-14-2-7-16(21)8-3-14/h2-4,6-9,11-13,21-22,24H,5,10H2,1H3/b9-4+,17-13-",COc1cc(CCC(=O)/C=C(O)/C=C/c2ccc(O)cc2)ccc1O,C20H20O5,,340.13107374,VZZQQZMZDJETCS,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Aframomum letestuanum,791472.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Aframomum'],['Aframomum letestuanum'],4,3,7.90727686882019 65432,2471,153,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.6404696,ISDB,ASYWVBBBOMJYAC-DYEAUMGKSA-N,"InChI=1S/C11H12O5/c1-5-3-8-9(7(13)4-15-8)10(14)11(5)16-6(2)12/h4-5,11,13H,3H2,1-2H3/t5-,11-/m0/s1",CC(=O)O[C@@H]1C(=O)c2c(O)coc2C[C@@H]1C,C11H12O5,,224.068473484,ASYWVBBBOMJYAC,Terpenoids,,,Clinopodium ashei,248835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Clinopodium'],['Clinopodium ashei'],4,1,7.061878442764282 65429,2470,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,IZJKNGKMGFLJCM-NICCLXCISA-N,"InChI=1S/C36H52O20/c1-7-15-17(9-23(45-3)46-4)19(31(43)47-5)12-50-33(15)56-36-29(42)27(40)30-22(53-36)14-49-24(54-30)10-18-16(8-2)34(51-13-20(18)32(44)48-6)55-35-28(41)26(39)25(38)21(11-37)52-35/h7-8,12-13,15-18,21-30,33-42H,1-2,9-11,14H2,3-6H3/t15-,16-,17+,18+,21-,22-,24-,25-,26+,27-,28-,29-,30-,33+,34+,35+,36+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1C[C@@H]1OC[C@H]2O[C@@H](O[C@@H]3OC=C(C(=O)OC)[C@@H](CC(OC)OC)[C@H]3C=C)[C@H](O)[C@@H](O)[C@@H]2O1,C36H52O20,pos_2_2sodium,804.3051940640003,IZJKNGKMGFLJCM,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera korolkowii,692192.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera korolkowii'],7,3,8.5 65418,2467,-1,,,,0.3551589,ISDB,OWDQPILTDJLGCN-UHFFFAOYSA-N,"InChI=1S/C19H23NO4/c1-20-7-6-19-10-16(24-3)14(21)9-12(19)13(20)8-11-4-5-15(23-2)18(22)17(11)19/h4-5,10,12-13,22H,6-9H2,1-3H3",COC1=CC23CCN(C)C(Cc4ccc(OC)c(O)c42)C3CC1=O,C19H23NO4,,329.162708216,OWDQPILTDJLGCN,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Thalictrum tuberiferum,338809.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum tuberiferum'],6,0,7.4206355810165405 65419,2467,-1,,,,0.3551589,ISDB,OWDQPILTDJLGCN-WTOJCKNJSA-N,"InChI=1S/C19H23NO4/c1-20-7-6-19-10-16(24-3)14(21)9-12(19)13(20)8-11-4-5-15(23-2)18(22)17(11)19/h4-5,10,12-13,22H,6-9H2,1-3H3/t12-,13-,19+/m0/s1",COC1=C[C@@]23CCN(C)[C@@H](Cc4ccc(OC)c(O)c42)[C@@H]3CC1=O,C19H23NO4,,329.162708216,OWDQPILTDJLGCN,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Thalictrum urbainii,753952.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum urbainii'],6,0,7.4206355810165405 65357,2463,53,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.40844408,ISDB,QNFGCJUWVHQNGF-XVHVLHHCSA-N,"InChI=1S/C13H20O3/c1-9-6-11(16)7-13(2,3)12(9)5-4-10(15)8-14/h4-6,10,12,14-15H,7-8H2,1-3H3/b5-4+/t10-,12-/m0/s1",CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@H](O)CO,C13H20O3,,224.1412445,QNFGCJUWVHQNGF,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Aglaia archboldiana,627550.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Aglaia'],['Aglaia archboldiana'],4,3,7.133776307106018 65354,2461,-1,,,,0.0,MS1_match,PBLWZMSRSJTRHJ-NCIRKIHRSA-N,"InChI=1S/C32H44O16/c1-42-20-8-14(3-5-18(20)45-31-28(40)26(38)24(36)22(11-34)47-31)7-16-13-44-30(17(16)10-33)15-4-6-19(21(9-15)43-2)46-32-29(41)27(39)25(37)23(12-35)48-32/h3-6,8-9,16-17,22-41H,7,10-13H2,1-2H3/t16-,17-,22+,23+,24+,25+,26-,27-,28+,29+,30+,31+,32+/m0/s1",COc1cc(C[C@H]2CO[C@H](c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c3)[C@H]2CO)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C32H44O16,pos_1_sodium,684.262935328,PBLWZMSRSJTRHJ,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Clematis stans,21283.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis stans'],8,0,8.0 65353,2457,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,AZUURFWEIQDHCN-MZGJNUFDSA-N,"InChI=1S/C40H44O22/c1-14-25(46)29(50)31(52)38(55-14)56-17-10-20(45)24-21(11-17)57-33(16-7-8-18(43)19(44)9-16)35(28(24)49)61-40-36(30(51)26(47)22(12-41)59-40)62-39-32(53)34(27(48)23(13-42)58-39)60-37(54)15-5-3-2-4-6-15/h2-11,14,22-23,25-27,29-32,34,36,38-48,50-53H,12-13H2,1H3/t14-,22+,23+,25-,26+,27+,29+,30-,31+,32+,34-,36+,38+,39-,40-/m1/s1",C[C@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O[C@H]4O[C@@H](CO)[C@H](O)[C@@H](OC(=O)c5ccccc5)[C@@H]4O)c(-c4ccc(O)c(O)c4)oc3c2)[C@@H](O)[C@@H](O)[C@@H]1O,C40H44O22,pos_2_2proton,876.232423048,AZUURFWEIQDHCN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Delphinium carolinianum,529153.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium carolinianum'],6,1,6.5 65266,2455,79,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.5088372,ISDB,TZAXQHDIMDQXRD-YJQAKTFBSA-N,"InChI=1S/C19H22O5/c1-4-9-18-10-5-6-16(21)19(18,22)24-17(12(18)2)13-7-8-14(20)15(11-13)23-3/h4-8,11-12,17,20,22H,1,9-10H2,2-3H3/t12-,17+,18-,19-/m1/s1",C=CC[C@]12CC=CC(=O)[C@@]1(O)O[C@H](c1ccc(O)c(OC)c1)[C@H]2C,C19H22O5,,330.146723804,TZAXQHDIMDQXRD,Shikimates and Phenylpropanoids,Lignans,Neolignans,Aniba ferrea,6025335.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Aniba'],['Aniba ferrea'],4,3,7.535348892211914 65265,2454,62,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.60752153,ISDB,BWBYOMWIDCKMAI-LNMZYWNMSA-N,"InChI=1S/C12H18O9/c1-5(14)12(18)2-6(4-19-12)20-11-10(17)9(16)8(15)7(3-13)21-11/h2,7-11,13,15-18H,3-4H2,1H3/t7-,8-,9+,10-,11-,12?/m1/s1",CC(=O)C1(O)C=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CO1,C12H18O9,,306.095082156,BWBYOMWIDCKMAI,,,,Penicillium citrinum,226488.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Penicillium'],['Penicillium citrinum'],1,0,3.430086135864258 65254,2451,-1,,,,0.0,MS1_match,DUBCCGAQYVUYEU-ZUGPOPFOSA-N,"InChI=1S/C21H18O13/c22-7-4-10(25)12-11(5-7)32-17(6-1-2-8(23)9(24)3-6)18(13(12)26)33-21-16(29)14(27)15(28)19(34-21)20(30)31/h1-5,14-16,19,21-25,27-29H,(H,30,31)/t14-,15-,16+,19-,21+/m0/s1",O=C(O)[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C21H18O13,pos_1_sodium,478.0747406359998,DUBCCGAQYVUYEU,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Clematis stans,21283.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis stans'],8,0,8.0 65255,2451,-1,,,,0.0,MS1_match,DUBCCGAQYVUYEU-ZUGPOPFOSA-N,"InChI=1S/C21H18O13/c22-7-4-10(25)12-11(5-7)32-17(6-1-2-8(23)9(24)3-6)18(13(12)26)33-21-16(29)14(27)15(28)19(34-21)20(30)31/h1-5,14-16,19,21-25,27-29H,(H,30,31)/t14-,15-,16+,19-,21+/m0/s1",O=C(O)[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C21H18O13,pos_1_sodium,478.0747406359998,DUBCCGAQYVUYEU,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Clematis rehderiana,289952.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis rehderiana'],8,0,8.0 65256,2451,-1,,,,0.0,MS1_match,DUBCCGAQYVUYEU-ZUGPOPFOSA-N,"InChI=1S/C21H18O13/c22-7-4-10(25)12-11(5-7)32-17(6-1-2-8(23)9(24)3-6)18(13(12)26)33-21-16(29)14(27)15(28)19(34-21)20(30)31/h1-5,14-16,19,21-25,27-29H,(H,30,31)/t14-,15-,16+,19-,21+/m0/s1",O=C(O)[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C21H18O13,pos_1_sodium,478.0747406359998,DUBCCGAQYVUYEU,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Clematis stans,21283.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis stans'],8,0,8.0 65257,2451,-1,,,,0.0,MS1_match,DUBCCGAQYVUYEU-ZUGPOPFOSA-N,"InChI=1S/C21H18O13/c22-7-4-10(25)12-11(5-7)32-17(6-1-2-8(23)9(24)3-6)18(13(12)26)33-21-16(29)14(27)15(28)19(34-21)20(30)31/h1-5,14-16,19,21-25,27-29H,(H,30,31)/t14-,15-,16+,19-,21+/m0/s1",O=C(O)[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C21H18O13,pos_1_sodium,478.0747406359998,DUBCCGAQYVUYEU,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Clematis rehderiana,289952.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis rehderiana'],8,0,8.0 65258,2451,-1,,,,0.0,MS1_match,DUBCCGAQYVUYEU-ZUGPOPFOSA-N,"InChI=1S/C21H18O13/c22-7-4-10(25)12-11(5-7)32-17(6-1-2-8(23)9(24)3-6)18(13(12)26)33-21-16(29)14(27)15(28)19(34-21)20(30)31/h1-5,14-16,19,21-25,27-29H,(H,30,31)/t14-,15-,16+,19-,21+/m0/s1",O=C(O)[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C21H18O13,pos_1_sodium,478.0747406359998,DUBCCGAQYVUYEU,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Clematis stans,21283.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis stans'],8,0,8.0 65259,2451,-1,,,,0.0,MS1_match,DUBCCGAQYVUYEU-ZUGPOPFOSA-N,"InChI=1S/C21H18O13/c22-7-4-10(25)12-11(5-7)32-17(6-1-2-8(23)9(24)3-6)18(13(12)26)33-21-16(29)14(27)15(28)19(34-21)20(30)31/h1-5,14-16,19,21-25,27-29H,(H,30,31)/t14-,15-,16+,19-,21+/m0/s1",O=C(O)[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C21H18O13,pos_1_sodium,478.0747406359998,DUBCCGAQYVUYEU,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Clematis rehderiana,289952.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis rehderiana'],8,0,8.0 65232,2441,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.8334147,ISDB,GSTBDLJYXUQTFK-FXZGYOIDSA-N,"InChI=1S/C32H38O20/c1-9-19(38)28(51-30-24(43)20(39)15(37)7-46-30)26(45)31(48-9)47-8-17-21(40)23(42)25(44)32(50-17)52-29-22(41)18-14(36)5-11(33)6-16(18)49-27(29)10-2-3-12(34)13(35)4-10/h2-6,9,15,17,19-21,23-26,28,30-40,42-45H,7-8H2,1H3/t9-,15+,17+,19-,20-,21-,23-,24+,25+,26+,28+,30-,31+,32-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C32H38O20,,742.195643616,GSTBDLJYXUQTFK,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Astragalus galegiformis,530209.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus malacophyllus'],4,3,8.833658695220947 65233,2441,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.8334147,ISDB,GSTBDLJYXUQTFK-FODKTCEYSA-N,"InChI=1S/C32H38O20/c1-9-19(38)28(51-30-24(43)20(39)15(37)7-46-30)26(45)31(48-9)47-8-17-21(40)23(42)25(44)32(50-17)52-29-22(41)18-14(36)5-11(33)6-16(18)49-27(29)10-2-3-12(34)13(35)4-10/h2-6,9,15,17,19-21,23-26,28,30-40,42-45H,7-8H2,1H3/t9-,15+,17+,19-,20-,21+,23-,24+,25+,26+,28+,30-,31+,32-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C32H38O20,,742.1956436160001,GSTBDLJYXUQTFK,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Camellia japonica,1058514.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Theaceae'],['Unknown'],['Camellia'],['Camellia japonica'],4,3,8.833658695220947 65147,2440,79,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.5090773,ISDB,TZAXQHDIMDQXRD-YJQAKTFBSA-N,"InChI=1S/C19H22O5/c1-4-9-18-10-5-6-16(21)19(18,22)24-17(12(18)2)13-7-8-14(20)15(11-13)23-3/h4-8,11-12,17,20,22H,1,9-10H2,2-3H3/t12-,17+,18-,19-/m1/s1",C=CC[C@]12CC=CC(=O)[C@@]1(O)O[C@H](c1ccc(O)c(OC)c1)[C@H]2C,C19H22O5,,330.146723804,TZAXQHDIMDQXRD,Shikimates and Phenylpropanoids,Lignans,Neolignans,Aniba ferrea,6025335.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Aniba'],['Aniba ferrea'],4,3,7.536309242248535 65145,2438,212,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,0.5504286,ISDB,CMHKKALEZOJWDP-JXKRDHHRSA-N,"InChI=1S/C51H52O28/c52-16-33-39(62)42(65)45(68)51(77-33)76-32-15-23-29(13-22(53)14-30(23)74-49-46(69)43(66)40(63)34(78-49)17-71-36(59)7-3-19-1-5-24(54)26(56)9-19)73-48(32)21-11-28(58)38(61)31(12-21)75-50-47(70)44(67)41(64)35(79-50)18-72-37(60)8-4-20-2-6-25(55)27(57)10-20/h1-15,33-35,39-47,49-52,62-70H,16-18H2,(H6-,53,54,55,56,57,58,59,60,61)/t33-,34-,35-,39-,40-,41-,42+,43+,44+,45-,46-,47-,49-,50-,51-/m1/s1",O=C(C=Cc1ccc(O)c(O)c1)OC[C@H]1O[C@@H](Oc2cc(-c3[o+]c4cc(O)cc(O[C@@H]5O[C@H](COC(=O)C=Cc6ccc(O)c(O)c6)[C@@H](O)[C@H](O)[C@H]5O)c4cc3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c2[O-])[C@H](O)[C@@H](O)[C@@H]1O,C51H52O28,,1112.264511024,CMHKKALEZOJWDP,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Gentiana,168233.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Gentianaceae'],['Gentianeae'],['Gentiana'],['Unknown'],4,3,7.701714515686035 65146,2438,212,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,0.5504286,ISDB,CMHKKALEZOJWDP-JXKRDHHRSA-O,"InChI=1S/C51H52O28/c52-16-33-39(62)42(65)45(68)51(77-33)76-32-15-23-29(13-22(53)14-30(23)74-49-46(69)43(66)40(63)34(78-49)17-71-36(59)7-3-19-1-5-24(54)26(56)9-19)73-48(32)21-11-28(58)38(61)31(12-21)75-50-47(70)44(67)41(64)35(79-50)18-72-37(60)8-4-20-2-6-25(55)27(57)10-20/h1-15,33-35,39-47,49-52,62-70H,16-18H2,(H6-,53,54,55,56,57,58,59,60,61)/p+1/t33-,34-,35-,39-,40-,41-,42+,43+,44+,45-,46-,47-,49-,50-,51-/m1/s1",O=C(C=Cc1ccc(O)c(O)c1)OC[C@H]1O[C@@H](Oc2cc(-c3[o+]c4cc(O)cc(O[C@@H]5O[C@H](COC(=O)C=Cc6ccc(O)c(O)c6)[C@@H](O)[C@H](O)[C@H]5O)c4cc3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c2O)[C@H](O)[C@@H](O)[C@@H]1O,C51H53O28+,,1113.27178747609,CMHKKALEZOJWDP,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Gentiana triflora,485204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Gentianaceae'],['Gentianeae'],['Gentiana'],['Gentiana triflora'],4,3,7.701714515686035 65144,2437,73,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.2760682,ISDB,,,,,,,LXXUHHVICRZHRO,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.1042728424072266 65136,2435,72,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.4295133,ISDB,NJXYDZDDOCQODQ-FCAPPQLESA-N,"InChI=1S/C40H77NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,32-38,40,42-47H,3-18,21-31H2,1-2H3,(H,41,48)/b20-19-/t32-,33+,34+,35+,36+,37-,38+,40+/m0/s1",CCCCCCCCC/C=C\CCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H77NO9,,715.559833044,NJXYDZDDOCQODQ,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],4,3,7.218053221702576 65137,2435,72,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.4295133,ISDB,NJXYDZDDOCQODQ-WSEQXECZSA-N,"InChI=1S/C40H77NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,32-38,40,42-47H,3-18,21-31H2,1-2H3,(H,41,48)/b20-19+/t32-,33+,34+,35+,36+,37-,38+,40+/m0/s1",CCCCCCCCC/C=C/CCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H77NO9,,715.559833044,NJXYDZDDOCQODQ,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Rhaponticum chinense,27810.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Klaseopsis'],['Klaseopsis chinensis'],4,3,7.218053221702576 65138,2435,72,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.4295133,ISDB,NJXYDZDDOCQODQ-WSEQXECZSA-N,"InChI=1S/C40H77NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,32-38,40,42-47H,3-18,21-31H2,1-2H3,(H,41,48)/b20-19+/t32-,33+,34+,35+,36+,37-,38+,40+/m0/s1",CCCCCCCCC/C=C/CCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H77NO9,,715.559833044,NJXYDZDDOCQODQ,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Sagina japonica,161892.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Sagineae'],['Sagina'],['Sagina japonica'],4,3,7.218053221702576 65102,2434,627,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_2MNa,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera fulvotomentosa,650610.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera fulvotomentosa'],7,3,8.5 65103,2434,627,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_2MNa,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 65104,2434,627,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_2MNa,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera macrantha,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 65105,2434,627,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-PNQZTZQXSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14+,16-/m0/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1C[C@](O)(C(=O)O)C[C@H](O)[C@H]1O,C16H18O9,pos_2MNa,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera bournei,5746380.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera bournei'],7,3,8.5 65106,2434,627,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_2MNa,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera fulvotomentosa,650610.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera fulvotomentosa'],7,3,8.5 65107,2434,627,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_2MNa,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera confusa,594829.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera confusa'],7,3,8.5 65108,2434,627,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_2MNa,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera dasystyla,960340.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera dasystyla'],7,3,8.5 65109,2434,627,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_2MNa,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera similis,960338.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera similis'],7,3,8.5 65110,2434,627,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_2MNa,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera dasystyla,960340.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera dasystyla'],7,3,8.5 65111,2434,627,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_2MNa,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera confusa,594829.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera confusa'],7,3,8.5 65112,2434,627,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_2MNa,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera implexa,692207.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera implexa'],7,3,8.5 65113,2434,627,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_2MNa,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera macrantha,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 65114,2434,627,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_2MNa,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera hypoglauca,235196.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera hypoglauca'],7,3,8.5 65115,2434,627,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_2MNa,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera implexa,692207.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera implexa'],7,3,8.5 65116,2434,627,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_2MNa,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera similis,960338.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera similis'],7,3,8.5 65117,2434,627,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_2MNa,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 65118,2434,627,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GWTUHAXUUFROTF-AVXJPILUSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-16(15(23)24)6-11(19)14(22)12(20)7-16/h1-5,11-12,14,17-20,22H,6-7H2,(H,23,24)/b4-2+/t11-,12-,14?,16?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC1(C(=O)O)C[C@@H](O)C(O)[C@H](O)C1,C16H18O9,pos_2MNa,354.0950821559999,GWTUHAXUUFROTF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 65119,2434,627,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-PNQZTZQXSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14+,16-/m0/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1C[C@](O)(C(=O)O)C[C@H](O)[C@H]1O,C16H18O9,pos_2MNa,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera bournei,5746380.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera bournei'],7,3,8.5 65120,2434,627,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GWTUHAXUUFROTF-AVXJPILUSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-16(15(23)24)6-11(19)14(22)12(20)7-16/h1-5,11-12,14,17-20,22H,6-7H2,(H,23,24)/b4-2+/t11-,12-,14?,16?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC1(C(=O)O)C[C@@H](O)C(O)[C@H](O)C1,C16H18O9,pos_2MNa,354.0950821559999,GWTUHAXUUFROTF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 65121,2434,627,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_2MNa,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera hypoglauca,235196.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera hypoglauca'],7,3,8.5 65101,2432,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.95128596,ISDB,,,,,,,UMXDJWMIEHQSHF,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,3.8051438331604004 65100,2431,-1,,,,0.55605936,ISDB,MDUKNOYAUGMJTB-SPAOSGIGSA-N,"InChI=1S/C30H33NO7/c1-31(2)28(34)24-26(17-9-7-6-8-10-17)29(19-11-12-22(37-4)21(32)14-19)16-18-13-20(36-3)15-23(38-5)25(18)30(29,35)27(24)33/h6-15,24,26-27,32-33,35H,16H2,1-5H3/t24-,26-,27-,29-,30+/m1/s1",COc1cc2c(c(OC)c1)[C@]1(O)[C@H](O)[C@H](C(=O)N(C)C)[C@@H](c3ccccc3)[C@]1(c1ccc(OC)c(O)c1)C2,C30H33NO7,,519.225702396,MDUKNOYAUGMJTB,Shikimates and Phenylpropanoids,Stilbenoids,,Aglaia odorata,841346.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Aglaia'],['Aglaia odorata'],4,0,6.224237442016602 65098,2430,1316,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,BCPJJFPKMVYIOS-HWKANZROSA-N,"InChI=1S/C12H12O6/c1-17-10-4-2-8(6-9(10)13)3-5-12(16)18-7-11(14)15/h2-6,13H,7H2,1H3,(H,14,15)/b5-3+",COc1ccc(/C=C/C(=O)OCC(=O)O)cc1O,C12H12O6,pos_1_1proton1methanol,252.063388104,BCPJJFPKMVYIOS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Actaea simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],6,3,7.5 65099,2430,1316,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,BCPJJFPKMVYIOS-HWKANZROSA-N,"InChI=1S/C12H12O6/c1-17-10-4-2-8(6-9(10)13)3-5-12(16)18-7-11(14)15/h2-6,13H,7H2,1H3,(H,14,15)/b5-3+",COc1ccc(/C=C/C(=O)OCC(=O)O)cc1O,C12H12O6,pos_1_1proton1methanol,252.063388104,BCPJJFPKMVYIOS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cimicifuga simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],6,3,7.5 65095,2429,694,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.6253808,ISDB,CFBCZETZIPZOGW-UHFFFAOYSA-N,"InChI=1S/C8H6O2/c9-7-2-1-3-8-6(7)4-5-10-8/h1-5,9H",Oc1cccc2occc12,C8H6O2,,134.036779432,CFBCZETZIPZOGW,Polyketides,,,Lonchocarpus castilloi,3920404.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Millettieae'],['Lonchocarpus'],['Lonchocarpus castilloi'],4,0,6.50152325630188 65092,2424,189,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,XNIDEUYQVRRKJJ-FZPNTLRJSA-N,"InChI=1S/C35H34O18/c1-15(36)44-14-27-31(48-19(5)40)33(49-20(6)41)34(50-21(7)42)35(52-27)53-32-29(43)28-25(47-18(4)39)12-24(46-17(3)38)13-26(28)51-30(32)22-8-10-23(11-9-22)45-16(2)37/h8-13,27,31,33-35H,14H2,1-7H3/t27-,31-,33+,34-,35+/m1/s1",CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(OC(C)=O)cc3)oc3cc(OC(C)=O)cc(OC(C)=O)c3c2=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C35H34O18,pos_1_sodium,742.1745142480002,XNIDEUYQVRRKJJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Staphisagria macrosperma,969162.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Staphisagria'],['Staphisagria macrosperma'],6,3,7.5 65093,2424,189,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,XNIDEUYQVRRKJJ-FZPNTLRJSA-N,"InChI=1S/C35H34O18/c1-15(36)44-14-27-31(48-19(5)40)33(49-20(6)41)34(50-21(7)42)35(52-27)53-32-29(43)28-25(47-18(4)39)12-24(46-17(3)38)13-26(28)51-30(32)22-8-10-23(11-9-22)45-16(2)37/h8-13,27,31,33-35H,14H2,1-7H3/t27-,31-,33+,34-,35+/m1/s1",CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(OC(C)=O)cc3)oc3cc(OC(C)=O)cc(OC(C)=O)c3c2=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C35H34O18,pos_1_sodium,742.1745142480002,XNIDEUYQVRRKJJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Delphinium staphisagria,969162.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Staphisagria'],['Staphisagria macrosperma'],6,3,7.5 65086,2421,753,Fatty acids,Fatty Acids and Conjugates,Phenylethanoids,0.0,MS1_match,RKMQRPYLPSKVNS-UHFFFAOYSA-N,"InChI=1S/C6H10O4/c1-10-6(9)3-2-5(8)4-7/h7H,2-4H2,1H3",COC(=O)CCC(=O)CO,C6H10O4,pos_2MHCH3CN,146.0579088,RKMQRPYLPSKVNS,Fatty acids,Fatty Acids and Conjugates,,Clematis delavayi,72769.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis delavayi'],8,2,9.0 65078,2420,134,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WQSDYZZEIBAPIN-VBQORRLJSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+/t10-,12-,13+,14-,15+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O9,pos_1_1proton1dmso,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis tashiroi,21287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tashiroi'],8,3,9.5 65079,2420,134,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WQSDYZZEIBAPIN-VBQORRLJSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+/t10-,12-,13+,14-,15+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O9,pos_1_1proton1dmso,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis tashiroi,21287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tashiroi'],8,3,9.5 65080,2420,134,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WQSDYZZEIBAPIN-VBQORRLJSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+/t10-,12-,13+,14-,15+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O9,pos_1_1proton1dmso,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis tashiroi,21287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tashiroi'],8,3,9.5 65081,2420,134,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,OHEYCHKLBCPRLZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(24-10)23-9-3-1-7(5-8(9)17)2-4-11(18)19/h1-5,10,12-17,20-22H,6H2,(H,18,19)/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1,C15H18O9,pos_1_1proton1dmso,342.09508215599993,OHEYCHKLBCPRLZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis tashiroi,21287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tashiroi'],8,3,9.5 65082,2420,134,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,OHEYCHKLBCPRLZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(24-10)23-9-3-1-7(5-8(9)17)2-4-11(18)19/h1-5,10,12-17,20-22H,6H2,(H,18,19)/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1,C15H18O9,pos_1_1proton1dmso,342.09508215599993,OHEYCHKLBCPRLZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis tashiroi,21287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tashiroi'],8,3,9.5 65083,2420,134,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,OHEYCHKLBCPRLZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(24-10)23-9-3-1-7(5-8(9)17)2-4-11(18)19/h1-5,10,12-17,20-22H,6H2,(H,18,19)/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1,C15H18O9,pos_1_1proton1dmso,342.09508215599993,OHEYCHKLBCPRLZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis tashiroi,21287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tashiroi'],8,3,9.5 65084,2420,134,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JVVFTHAOTNXPOZ-SSLCBRODSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1proton1dmso,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis tashiroi,21287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tashiroi'],8,3,9.5 65085,2420,134,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JVVFTHAOTNXPOZ-SSLCBRODSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1proton1dmso,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis tashiroi,21287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tashiroi'],8,3,9.5 65076,2419,981,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,VMAPCZGMIAGZBE-MVNJUIESSA-N,"InChI=1S/C38H38O19/c1-16(2)48-28-13-25(49-18(4)40)14-29-31(28)32(46)35(33(55-29)24-10-11-26(50-19(5)41)27(12-24)51-20(6)42)57-38-37(54-23(9)45)36(53-22(8)44)34(52-21(7)43)30(56-38)15-47-17(3)39/h10-14,30,34,36-38H,1,15H2,2-9H3/t30-,34+,36+,37-,38+/m1/s1",C=C(C)Oc1cc(OC(C)=O)cc2oc(-c3ccc(OC(C)=O)c(OC(C)=O)c3)c(O[C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)c(=O)c12,C38H38O19,pos_2_1proton1sodium,798.200728996,VMAPCZGMIAGZBE,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Delphinium oliverianum,733345.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida oliveriana'],6,3,7.5 65062,2418,1555,Polyketides,Aromatic polyketides,Depsidones,0.77144307,ISDB,VOXMONAUSQZPTP-UHFFFAOYSA-N,"InChI=1S/C18H14O9/c1-6-3-10(21)8(4-19)15-11(6)18(25)27-16-9(5-20)13(22)12(17(23)24)7(2)14(16)26-15/h3-4,20-22H,5H2,1-2H3,(H,23,24)",Cc1cc(O)c(C=O)c2c1C(=O)Oc1c(CO)c(O)c(C(=O)O)c(C)c1O2,C18H14O9,,374.0637820279999,VOXMONAUSQZPTP,Polyketides,Aromatic polyketides,Depsidones,Flavoparmelia springtonensis,870362.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Lecanoromycetes'],['Lecanorales'],['Parmeliaceae'],['Unknown'],['Flavoparmelia'],['Flavoparmelia springtonensis'],1,3,5.585772275924683 65063,2418,1555,Polyketides,Aromatic polyketides,Depsidones,0.77144307,ISDB,VOXMONAUSQZPTP-UHFFFAOYSA-N,"InChI=1S/C18H14O9/c1-6-3-10(21)8(4-19)15-11(6)18(25)27-16-9(5-20)13(22)12(17(23)24)7(2)14(16)26-15/h3-4,20-22H,5H2,1-2H3,(H,23,24)",Cc1cc(O)c(C=O)c2c1C(=O)Oc1c(CO)c(O)c(C(=O)O)c(C)c1O2,C18H14O9,,374.0637820279999,VOXMONAUSQZPTP,Polyketides,Aromatic polyketides,Depsidones,Ramalina siliquosa,607539.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Lecanoromycetes'],['Lecanorales'],['Ramalinaceae'],['Unknown'],['Ramalina'],['Ramalina siliquosa'],1,3,5.585772275924683 65064,2418,1555,Polyketides,Aromatic polyketides,Depsidones,0.77144307,ISDB,VOXMONAUSQZPTP-UHFFFAOYSA-N,"InChI=1S/C18H14O9/c1-6-3-10(21)8(4-19)15-11(6)18(25)27-16-9(5-20)13(22)12(17(23)24)7(2)14(16)26-15/h3-4,20-22H,5H2,1-2H3,(H,23,24)",Cc1cc(O)c(C=O)c2c1C(=O)Oc1c(CO)c(O)c(C(=O)O)c(C)c1O2,C18H14O9,,374.0637820279999,VOXMONAUSQZPTP,Polyketides,Aromatic polyketides,Depsidones,Lepraria eburnea,773243.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Lecanoromycetes'],['Lecanorales'],['Stereocaulaceae'],['Unknown'],['Lepraria'],['Lepraria eburnea'],1,3,5.585772275924683 65065,2418,1555,Polyketides,Aromatic polyketides,Depsidones,0.77144307,ISDB,VOXMONAUSQZPTP-UHFFFAOYSA-N,"InChI=1S/C18H14O9/c1-6-3-10(21)8(4-19)15-11(6)18(25)27-16-9(5-20)13(22)12(17(23)24)7(2)14(16)26-15/h3-4,20-22H,5H2,1-2H3,(H,23,24)",Cc1cc(O)c(C=O)c2c1C(=O)Oc1c(CO)c(O)c(C(=O)O)c(C)c1O2,C18H14O9,,374.0637820279999,VOXMONAUSQZPTP,Polyketides,Aromatic polyketides,Depsidones,Cladonia cryptochlorophaea,3764991.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Lecanoromycetes'],['Lecanorales'],['Cladoniaceae'],['Unknown'],['Cladonia'],['Cladonia cryptochlorophaea'],1,3,5.585772275924683 65066,2418,1555,Polyketides,Aromatic polyketides,Depsidones,0.77144307,ISDB,VOXMONAUSQZPTP-UHFFFAOYSA-N,"InChI=1S/C18H14O9/c1-6-3-10(21)8(4-19)15-11(6)18(25)27-16-9(5-20)13(22)12(17(23)24)7(2)14(16)26-15/h3-4,20-22H,5H2,1-2H3,(H,23,24)",Cc1cc(O)c(C=O)c2c1C(=O)Oc1c(CO)c(O)c(C(=O)O)c(C)c1O2,C18H14O9,,374.0637820279999,VOXMONAUSQZPTP,Polyketides,Aromatic polyketides,Depsidones,Cladonia rei,379483.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Lecanoromycetes'],['Lecanorales'],['Cladoniaceae'],['Unknown'],['Cladonia'],['Cladonia rei'],1,3,5.585772275924683 65067,2418,1555,Polyketides,Aromatic polyketides,Depsidones,0.77144307,ISDB,VOXMONAUSQZPTP-UHFFFAOYSA-N,"InChI=1S/C18H14O9/c1-6-3-10(21)8(4-19)15-11(6)18(25)27-16-9(5-20)13(22)12(17(23)24)7(2)14(16)26-15/h3-4,20-22H,5H2,1-2H3,(H,23,24)",Cc1cc(O)c(C=O)c2c1C(=O)Oc1c(CO)c(O)c(C(=O)O)c(C)c1O2,C18H14O9,,374.0637820279999,VOXMONAUSQZPTP,Polyketides,Aromatic polyketides,Depsidones,Cladonia foliacea,955707.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Lecanoromycetes'],['Lecanorales'],['Cladoniaceae'],['Unknown'],['Cladonia'],['Cladonia foliacea'],1,3,5.585772275924683 65068,2418,1555,Polyketides,Aromatic polyketides,Depsidones,0.77144307,ISDB,VOXMONAUSQZPTP-UHFFFAOYSA-N,"InChI=1S/C18H14O9/c1-6-3-10(21)8(4-19)15-11(6)18(25)27-16-9(5-20)13(22)12(17(23)24)7(2)14(16)26-15/h3-4,20-22H,5H2,1-2H3,(H,23,24)",Cc1cc(O)c(C=O)c2c1C(=O)Oc1c(CO)c(O)c(C(=O)O)c(C)c1O2,C18H14O9,,374.0637820279999,VOXMONAUSQZPTP,Polyketides,Aromatic polyketides,Depsidones,Cladonia convoluta,655908.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Lecanoromycetes'],['Lecanorales'],['Cladoniaceae'],['Unknown'],['Cladonia'],['Cladonia convoluta'],1,3,5.585772275924683 65069,2418,1555,Polyketides,Aromatic polyketides,Depsidones,0.77144307,ISDB,VOXMONAUSQZPTP-UHFFFAOYSA-N,"InChI=1S/C18H14O9/c1-6-3-10(21)8(4-19)15-11(6)18(25)27-16-9(5-20)13(22)12(17(23)24)7(2)14(16)26-15/h3-4,20-22H,5H2,1-2H3,(H,23,24)",Cc1cc(O)c(C=O)c2c1C(=O)Oc1c(CO)c(O)c(C(=O)O)c(C)c1O2,C18H14O9,,374.0637820279999,VOXMONAUSQZPTP,Polyketides,Aromatic polyketides,Depsidones,Flavoparmelia haysomii,91069.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Lecanoromycetes'],['Lecanorales'],['Parmeliaceae'],['Unknown'],['Flavoparmelia'],['Flavoparmelia haysomii'],1,3,5.585772275924683 65070,2418,1555,Polyketides,Aromatic polyketides,Depsidones,0.77144307,ISDB,VOXMONAUSQZPTP-UHFFFAOYSA-N,"InChI=1S/C18H14O9/c1-6-3-10(21)8(4-19)15-11(6)18(25)27-16-9(5-20)13(22)12(17(23)24)7(2)14(16)26-15/h3-4,20-22H,5H2,1-2H3,(H,23,24)",Cc1cc(O)c(C=O)c2c1C(=O)Oc1c(CO)c(O)c(C(=O)O)c(C)c1O2,C18H14O9,,374.0637820279999,VOXMONAUSQZPTP,Polyketides,Aromatic polyketides,Depsidones,Cetraria islandica,305900.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Lecanoromycetes'],['Lecanorales'],['Parmeliaceae'],['Unknown'],['Cetraria'],['Cetraria islandica'],1,3,5.585772275924683 65071,2418,1555,Polyketides,Aromatic polyketides,Depsidones,0.77144307,ISDB,VOXMONAUSQZPTP-UHFFFAOYSA-N,"InChI=1S/C18H14O9/c1-6-3-10(21)8(4-19)15-11(6)18(25)27-16-9(5-20)13(22)12(17(23)24)7(2)14(16)26-15/h3-4,20-22H,5H2,1-2H3,(H,23,24)",Cc1cc(O)c(C=O)c2c1C(=O)Oc1c(CO)c(O)c(C(=O)O)c(C)c1O2,C18H14O9,,374.0637820279999,VOXMONAUSQZPTP,Polyketides,Aromatic polyketides,Depsidones,Cetraria islandica subsp. islandica,516211.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Lecanoromycetes'],['Lecanorales'],['Parmeliaceae'],['Unknown'],['Cetraria'],['Unknown'],1,3,5.585772275924683 65072,2418,1555,Polyketides,Aromatic polyketides,Depsidones,0.77144307,ISDB,VOXMONAUSQZPTP-UHFFFAOYSA-N,"InChI=1S/C18H14O9/c1-6-3-10(21)8(4-19)15-11(6)18(25)27-16-9(5-20)13(22)12(17(23)24)7(2)14(16)26-15/h3-4,20-22H,5H2,1-2H3,(H,23,24)",Cc1cc(O)c(C=O)c2c1C(=O)Oc1c(CO)c(O)c(C(=O)O)c(C)c1O2,C18H14O9,,374.0637820279999,VOXMONAUSQZPTP,Polyketides,Aromatic polyketides,Depsidones,Cetraria ericetorum,240839.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Lecanoromycetes'],['Lecanorales'],['Parmeliaceae'],['Unknown'],['Cetraria'],['Cetraria ericetorum'],1,3,5.585772275924683 65059,2413,189,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,FBBKXUQEUJYJAW-LXUWXYTASA-N,"InChI=1S/C35H34O19/c36-11-23-27(46)29(48)33(54-34-32(26(45)21(43)12-49-34)52-24(44)6-2-13-1-4-16(38)18(40)7-13)35(51-23)53-31-28(47)25-20(42)9-15(37)10-22(25)50-30(31)14-3-5-17(39)19(41)8-14/h1-10,21,23,26-27,29,32-43,45-46,48H,11-12H2/b6-2+/t21-,23+,26-,27-,29-,32+,33+,34-,35-/m0/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O[C@H]2[C@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)O[C@H](CO)[C@H](O)[C@@H]2O)OC[C@H](O)[C@@H]1O,C35H34O19,pos_1_sodium,758.1694288680003,FBBKXUQEUJYJAW,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Helleborus viridis,948053.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Helleboreae'],['Helleborus'],['Helleborus viridis'],6,3,7.5 65060,2413,189,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,FBBKXUQEUJYJAW-LXUWXYTASA-N,"InChI=1S/C35H34O19/c36-11-23-27(46)29(48)33(54-34-32(26(45)21(43)12-49-34)52-24(44)6-2-13-1-4-16(38)18(40)7-13)35(51-23)53-31-28(47)25-20(42)9-15(37)10-22(25)50-30(31)14-3-5-17(39)19(41)8-14/h1-10,21,23,26-27,29,32-43,45-46,48H,11-12H2/b6-2+/t21-,23+,26-,27-,29-,32+,33+,34-,35-/m0/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O[C@H]2[C@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)O[C@H](CO)[C@H](O)[C@@H]2O)OC[C@H](O)[C@@H]1O,C35H34O19,pos_1_sodium,758.1694288680003,FBBKXUQEUJYJAW,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus cantoniensis,118756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus cantoniensis'],6,3,7.5 65061,2413,189,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,FBBKXUQEUJYJAW-LXUWXYTASA-N,"InChI=1S/C35H34O19/c36-11-23-27(46)29(48)33(54-34-32(26(45)21(43)12-49-34)52-24(44)6-2-13-1-4-16(38)18(40)7-13)35(51-23)53-31-28(47)25-20(42)9-15(37)10-22(25)50-30(31)14-3-5-17(39)19(41)8-14/h1-10,21,23,26-27,29,32-43,45-46,48H,11-12H2/b6-2+/t21-,23+,26-,27-,29-,32+,33+,34-,35-/m0/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O[C@H]2[C@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)O[C@H](CO)[C@H](O)[C@@H]2O)OC[C@H](O)[C@@H]1O,C35H34O19,pos_1_sodium,758.1694288680003,FBBKXUQEUJYJAW,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus chinensis,162150.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus chinensis'],6,3,7.5 65055,2412,61,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,0.72518885,ISDB,OPURFTKJCNDEDB-UOLJMSNASA-N,"InChI=1S/C14H14O7/c1-14(19)11(7-20-13(14)18)21-12(17)5-3-8-2-4-9(15)10(16)6-8/h2-6,11,15-16,19H,7H2,1H3/b5-3+/t11-,14-/m1/s1",C[C@]1(O)C(=O)OC[C@H]1OC(=O)/C=C/c1ccc(O)c(O)c1,C14H14O7,,294.073952788,OPURFTKJCNDEDB,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Bidens pilosa,315599.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Coreopsideae'],['Bidens'],['Bidens pilosa'],4,1,7.400755405426025 65046,2407,-1,,,,0.0,MS1_match,WQSDYZZEIBAPIN-VBQORRLJSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+/t10-,12-,13+,14-,15+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O9,pos_2MNa,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis tashiroi,21287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tashiroi'],8,0,8.0 65047,2407,-1,,,,0.0,MS1_match,WQSDYZZEIBAPIN-VBQORRLJSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+/t10-,12-,13+,14-,15+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O9,pos_2MNa,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis tashiroi,21287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tashiroi'],8,0,8.0 65048,2407,-1,,,,0.0,MS1_match,WQSDYZZEIBAPIN-VBQORRLJSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+/t10-,12-,13+,14-,15+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O9,pos_2MNa,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis tashiroi,21287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tashiroi'],8,0,8.0 65049,2407,-1,,,,0.0,MS1_match,OHEYCHKLBCPRLZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(24-10)23-9-3-1-7(5-8(9)17)2-4-11(18)19/h1-5,10,12-17,20-22H,6H2,(H,18,19)/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1,C15H18O9,pos_2MNa,342.09508215599993,OHEYCHKLBCPRLZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis tashiroi,21287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tashiroi'],8,0,8.0 65050,2407,-1,,,,0.0,MS1_match,OHEYCHKLBCPRLZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(24-10)23-9-3-1-7(5-8(9)17)2-4-11(18)19/h1-5,10,12-17,20-22H,6H2,(H,18,19)/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1,C15H18O9,pos_2MNa,342.09508215599993,OHEYCHKLBCPRLZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis tashiroi,21287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tashiroi'],8,0,8.0 65051,2407,-1,,,,0.0,MS1_match,OHEYCHKLBCPRLZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(24-10)23-9-3-1-7(5-8(9)17)2-4-11(18)19/h1-5,10,12-17,20-22H,6H2,(H,18,19)/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1,C15H18O9,pos_2MNa,342.09508215599993,OHEYCHKLBCPRLZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis tashiroi,21287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tashiroi'],8,0,8.0 65052,2407,-1,,,,0.0,MS1_match,JVVFTHAOTNXPOZ-SSLCBRODSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_2MNa,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis tashiroi,21287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tashiroi'],8,0,8.0 65053,2407,-1,,,,0.0,MS1_match,JVVFTHAOTNXPOZ-SSLCBRODSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_2MNa,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis tashiroi,21287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tashiroi'],8,0,8.0 65054,2407,-1,,,,0.0,MS1_match,NEVMWOQJRSZYIC-UUANRDTJSA-N,"InChI=1S/C30H36O18/c1-39-13-5-11-6-14(40-2)25(13)47-29-23(35)21(33)19(31)17(45-29)10-44-28(38)12-7-15(41-3)26(16(8-12)42-4)48-30-24(36)22(34)20(32)18(46-30)9-43-27(11)37/h5-8,17-24,29-36H,9-10H2,1-4H3/t17-,18-,19-,20-,21+,22+,23-,24-,29+,30+/m1/s1",COc1cc2cc(OC)c1O[C@@H]1O[C@H](COC(=O)c3cc(OC)c(c(OC)c3)O[C@@H]3O[C@H](COC2=O)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]1O,C30H36O18,pos_1_sodium,684.190164312,NEVMWOQJRSZYIC,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Clematis hexapetala,226633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis hexapetala'],8,0,8.0 65036,2404,-1,,,,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_2MK,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Dipsacus asper,365911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Dipsacus'],['Dipsacus asper'],6,0,6.0 65037,2404,-1,,,,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_2MK,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Dipsacus inermis,776357.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Dipsacus'],['Dipsacus inermis'],6,0,6.0 65038,2404,-1,,,,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_2MK,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Cephalaria procera,6061197.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Cephalaria'],['Cephalaria procera'],6,0,6.0 65039,2404,-1,,,,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_2MK,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Cephalaria kotschyi,6061197.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Cephalaria'],['Cephalaria procera'],6,0,6.0 65040,2404,-1,,,,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_2MK,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Cephalaria nachiczevanica,6061192.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Cephalaria'],['Cephalaria nachiczevanica'],6,0,6.0 65041,2404,-1,,,,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_2MK,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Dipsacus asper,365911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Dipsacus'],['Dipsacus asper'],6,0,6.0 65042,2404,-1,,,,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_2MK,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Dipsacus inermis,776357.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Dipsacus'],['Dipsacus inermis'],6,0,6.0 65043,2404,-1,,,,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_2MK,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Cephalaria procera,6061197.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Cephalaria'],['Cephalaria procera'],6,0,6.0 65044,2404,-1,,,,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_2MK,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Cephalaria kotschyi,6061197.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Cephalaria'],['Cephalaria procera'],6,0,6.0 65045,2404,-1,,,,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_2MK,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Cephalaria nachiczevanica,6061192.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Cephalaria'],['Cephalaria nachiczevanica'],6,0,6.0 65035,2402,707,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,HGQDVTBUGONPNS-XIKSMUEASA-N,"InChI=1S/C20H24O12/c1-9-6-14(7-16(25)27-9)31-20-19(30-13(5)24)18(29-12(4)23)17(28-11(3)22)15(32-20)8-26-10(2)21/h6-7,15,17-20H,8H2,1-5H3/t15-,17-,18+,19-,20-/m1/s1",CC(=O)OC[C@H]1O[C@@H](Oc2cc(C)oc(=O)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C20H24O12,pos_1_1proton1ammonium,456.126776208,HGQDVTBUGONPNS,,,,Delphinium gracile,209872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium gracile'],6,0,6.0 65033,2401,79,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,PBLWZMSRSJTRHJ-NCIRKIHRSA-N,"InChI=1S/C32H44O16/c1-42-20-8-14(3-5-18(20)45-31-28(40)26(38)24(36)22(11-34)47-31)7-16-13-44-30(17(16)10-33)15-4-6-19(21(9-15)43-2)46-32-29(41)27(39)25(37)23(12-35)48-32/h3-6,8-9,16-17,22-41H,7,10-13H2,1-2H3/t16-,17-,22+,23+,24+,25+,26-,27-,28+,29+,30+,31+,32+/m0/s1",COc1cc(C[C@H]2CO[C@H](c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c3)[C@H]2CO)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C32H44O16,pos_1_1proton1ammonium,684.262935328,PBLWZMSRSJTRHJ,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Clematis stans,21283.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis stans'],8,2,9.0 65032,2400,-1,,,,0.0,MS1_match,KRKNYBCHXYNGOX-UHFFFAOYSA-N,"InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)",O=C(O)CC(O)(CC(=O)O)C(=O)O,C6H8O7,pos_1_1proton1ammonium,192.027002596,KRKNYBCHXYNGOX,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],7,0,7.0 65012,2399,1234,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,UTECWQIXBMWRRR-QXHWVZJPSA-N,"InChI=1S/C27H30O17/c28-6-14-17(34)19(36)21(38)26(41-14)43-24-15(7-29)42-27(22(39)20(24)37)44-25-18(35)16-12(33)4-9(30)5-13(16)40-23(25)8-1-2-10(31)11(32)3-8/h1-5,14-15,17,19-22,24,26-34,36-39H,6-7H2/t14-,15-,17-,19+,20-,21-,22-,24-,26+,27+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_sodium,626.1482995000001,UTECWQIXBMWRRR,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus biternatus,692884.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus biternatus'],6,3,7.5 65013,2399,1234,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RDUAJIJVNHKTQC-UJECXLDQSA-N,"InChI=1S/C27H30O17/c28-6-14-17(34)20(37)22(39)26(41-14)44-25-21(38)18(35)15(7-29)42-27(25)43-24-19(36)16-12(33)4-9(30)5-13(16)40-23(24)8-1-2-10(31)11(32)3-8/h1-5,14-15,17-18,20-22,25-35,37-39H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,25-,26+,27+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_sodium,626.1482995,RDUAJIJVNHKTQC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus sphaerospermus,1033259.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus sphaerospermus'],6,3,7.5 65014,2399,1234,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RDUAJIJVNHKTQC-UJECXLDQSA-N,"InChI=1S/C27H30O17/c28-6-14-17(34)20(37)22(39)26(41-14)44-25-21(38)18(35)15(7-29)42-27(25)43-24-19(36)16-12(33)4-9(30)5-13(16)40-23(24)8-1-2-10(31)11(32)3-8/h1-5,14-15,17-18,20-22,25-35,37-39H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,25-,26+,27+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_sodium,626.1482995,RDUAJIJVNHKTQC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus aquatilis var. diffusus,5264025.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus aquatilis'],6,3,7.5 65015,2399,1234,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RDUAJIJVNHKTQC-UJECXLDQSA-N,"InChI=1S/C27H30O17/c28-6-14-17(34)20(37)22(39)26(41-14)44-25-21(38)18(35)15(7-29)42-27(25)43-24-19(36)16-12(33)4-9(30)5-13(16)40-23(24)8-1-2-10(31)11(32)3-8/h1-5,14-15,17-18,20-22,25-35,37-39H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,25-,26+,27+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_sodium,626.1482995,RDUAJIJVNHKTQC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus aquatilis,491491.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus aquatilis'],6,3,7.5 65016,2399,1234,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RDUAJIJVNHKTQC-UJECXLDQSA-N,"InChI=1S/C27H30O17/c28-6-14-17(34)20(37)22(39)26(41-14)44-25-21(38)18(35)15(7-29)42-27(25)43-24-19(36)16-12(33)4-9(30)5-13(16)40-23(24)8-1-2-10(31)11(32)3-8/h1-5,14-15,17-18,20-22,25-35,37-39H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,25-,26+,27+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_sodium,626.1482995,RDUAJIJVNHKTQC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus penicillatus,492327.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus penicillatus'],6,3,7.5 65017,2399,1234,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RDUAJIJVNHKTQC-UJECXLDQSA-N,"InChI=1S/C27H30O17/c28-6-14-17(34)20(37)22(39)26(41-14)44-25-21(38)18(35)15(7-29)42-27(25)43-24-19(36)16-12(33)4-9(30)5-13(16)40-23(24)8-1-2-10(31)11(32)3-8/h1-5,14-15,17-18,20-22,25-35,37-39H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,25-,26+,27+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_sodium,626.1482995,RDUAJIJVNHKTQC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus fluitans,961752.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus fluitans'],6,3,7.5 65018,2399,1234,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RDUAJIJVNHKTQC-UJECXLDQSA-N,"InChI=1S/C27H30O17/c28-6-14-17(34)20(37)22(39)26(41-14)44-25-21(38)18(35)15(7-29)42-27(25)43-24-19(36)16-12(33)4-9(30)5-13(16)40-23(24)8-1-2-10(31)11(32)3-8/h1-5,14-15,17-18,20-22,25-35,37-39H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,25-,26+,27+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_sodium,626.1482995,RDUAJIJVNHKTQC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus peltatus,816424.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus peltatus'],6,3,7.5 65019,2399,1234,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RDUAJIJVNHKTQC-UJECXLDQSA-N,"InChI=1S/C27H30O17/c28-6-14-17(34)20(37)22(39)26(41-14)44-25-21(38)18(35)15(7-29)42-27(25)43-24-19(36)16-12(33)4-9(30)5-13(16)40-23(24)8-1-2-10(31)11(32)3-8/h1-5,14-15,17-18,20-22,25-35,37-39H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,25-,26+,27+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_sodium,626.1482995,RDUAJIJVNHKTQC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus rionii,593374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus rionii'],6,3,7.5 65020,2399,1234,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,BNSCASRSSGJHQH-DEFKTLOSSA-N,"InChI=1S/C27H30O17/c28-6-14-17(33)20(36)22(38)26(42-14)40-9-4-12(32)16-13(5-9)41-24(8-1-2-10(30)11(31)3-8)25(19(16)35)44-27-23(39)21(37)18(34)15(7-29)43-27/h1-5,14-15,17-18,20-23,26-34,36-39H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,23-,26-,27+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C27H30O17,pos_1_sodium,626.1482995,BNSCASRSSGJHQH,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus peltatus,816424.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus peltatus'],6,3,7.5 65021,2399,1234,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,BNSCASRSSGJHQH-DEFKTLOSSA-N,"InChI=1S/C27H30O17/c28-6-14-17(33)20(36)22(38)26(42-14)40-9-4-12(32)16-13(5-9)41-24(8-1-2-10(30)11(31)3-8)25(19(16)35)44-27-23(39)21(37)18(34)15(7-29)43-27/h1-5,14-15,17-18,20-23,26-34,36-39H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,23-,26-,27+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C27H30O17,pos_1_sodium,626.1482995,BNSCASRSSGJHQH,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus peltatus,816424.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus peltatus'],6,3,7.5 65022,2399,1234,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,FDRQPMVGJOQVTL-DEFKTLOSSA-N,"InChI=1S/C27H30O17/c28-6-14-17(33)20(36)22(38)26(42-14)40-7-15-18(34)21(37)23(39)27(43-15)44-25-19(35)16-12(32)4-9(29)5-13(16)41-24(25)8-1-2-10(30)11(31)3-8/h1-5,14-15,17-18,20-23,26-34,36-39H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,23-,26-,27+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_sodium,626.1482995,FDRQPMVGJOQVTL,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus moseleyi,6132641.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus moseleyi'],6,3,7.5 65023,2399,1234,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,FDRQPMVGJOQVTL-DEFKTLOSSA-N,"InChI=1S/C27H30O17/c28-6-14-17(33)20(36)22(38)26(42-14)40-7-15-18(34)21(37)23(39)27(43-15)44-25-19(35)16-12(32)4-9(29)5-13(16)41-24(25)8-1-2-10(30)11(31)3-8/h1-5,14-15,17-18,20-23,26-34,36-39H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,23-,26-,27+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_sodium,626.1482995,FDRQPMVGJOQVTL,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus biternatus,692884.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus biternatus'],6,3,7.5 65024,2399,1234,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,FDRQPMVGJOQVTL-DEFKTLOSSA-N,"InChI=1S/C27H30O17/c28-6-14-17(33)20(36)22(38)26(42-14)40-7-15-18(34)21(37)23(39)27(43-15)44-25-19(35)16-12(32)4-9(29)5-13(16)41-24(25)8-1-2-10(30)11(31)3-8/h1-5,14-15,17-18,20-23,26-34,36-39H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,23-,26-,27+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_sodium,626.1482995,FDRQPMVGJOQVTL,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus pseudotrullifolius,456902.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus pseudotrullifolius'],6,3,7.5 65025,2399,1234,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,UTECWQIXBMWRRR-QXHWVZJPSA-N,"InChI=1S/C27H30O17/c28-6-14-17(34)19(36)21(38)26(41-14)43-24-15(7-29)42-27(22(39)20(24)37)44-25-18(35)16-12(33)4-9(30)5-13(16)40-23(25)8-1-2-10(31)11(32)3-8/h1-5,14-15,17,19-22,24,26-34,36-39H,6-7H2/t14-,15-,17-,19+,20-,21-,22-,24-,26+,27+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_sodium,626.1482995000001,UTECWQIXBMWRRR,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus moseleyi,6132641.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus moseleyi'],6,3,7.5 65026,2399,1234,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,UTECWQIXBMWRRR-QXHWVZJPSA-N,"InChI=1S/C27H30O17/c28-6-14-17(34)19(36)21(38)26(41-14)43-24-15(7-29)42-27(22(39)20(24)37)44-25-18(35)16-12(33)4-9(30)5-13(16)40-23(25)8-1-2-10(31)11(32)3-8/h1-5,14-15,17,19-22,24,26-34,36-39H,6-7H2/t14-,15-,17-,19+,20-,21-,22-,24-,26+,27+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_sodium,626.1482995000001,UTECWQIXBMWRRR,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus pseudotrullifolius,456902.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus pseudotrullifolius'],6,3,7.5 65027,2399,1234,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,UTECWQIXBMWRRR-QXHWVZJPSA-N,"InChI=1S/C27H30O17/c28-6-14-17(34)19(36)21(38)26(41-14)43-24-15(7-29)42-27(22(39)20(24)37)44-25-18(35)16-12(33)4-9(30)5-13(16)40-23(25)8-1-2-10(31)11(32)3-8/h1-5,14-15,17,19-22,24,26-34,36-39H,6-7H2/t14-,15-,17-,19+,20-,21-,22-,24-,26+,27+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_sodium,626.1482995000001,UTECWQIXBMWRRR,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus biternatus,692884.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus biternatus'],6,3,7.5 65028,2399,1234,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,UTECWQIXBMWRRR-QXHWVZJPSA-N,"InChI=1S/C27H30O17/c28-6-14-17(34)19(36)21(38)26(41-14)43-24-15(7-29)42-27(22(39)20(24)37)44-25-18(35)16-12(33)4-9(30)5-13(16)40-23(25)8-1-2-10(31)11(32)3-8/h1-5,14-15,17,19-22,24,26-34,36-39H,6-7H2/t14-,15-,17-,19+,20-,21-,22-,24-,26+,27+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_sodium,626.1482995000001,UTECWQIXBMWRRR,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus moseleyi,6132641.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus moseleyi'],6,3,7.5 65029,2399,1234,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,UTECWQIXBMWRRR-QXHWVZJPSA-N,"InChI=1S/C27H30O17/c28-6-14-17(34)19(36)21(38)26(41-14)43-24-15(7-29)42-27(22(39)20(24)37)44-25-18(35)16-12(33)4-9(30)5-13(16)40-23(25)8-1-2-10(31)11(32)3-8/h1-5,14-15,17,19-22,24,26-34,36-39H,6-7H2/t14-,15-,17-,19+,20-,21-,22-,24-,26+,27+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_sodium,626.1482995000001,UTECWQIXBMWRRR,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus pseudotrullifolius,456902.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus pseudotrullifolius'],6,3,7.5 65030,2399,1234,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RDUAJIJVNHKTQC-UJECXLDQSA-N,"InChI=1S/C27H30O17/c28-6-14-17(34)20(37)22(39)26(41-14)44-25-21(38)18(35)15(7-29)42-27(25)43-24-19(36)16-12(33)4-9(30)5-13(16)40-23(24)8-1-2-10(31)11(32)3-8/h1-5,14-15,17-18,20-22,25-35,37-39H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,25-,26+,27+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_sodium,626.1482995,RDUAJIJVNHKTQC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus hederaceus,566818.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus hederaceus'],6,3,7.5 65031,2399,1234,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RDUAJIJVNHKTQC-IROKYFGSSA-N,"InChI=1S/C27H30O17/c28-6-14-17(34)20(37)22(39)26(41-14)44-25-21(38)18(35)15(7-29)42-27(25)43-24-19(36)16-12(33)4-9(30)5-13(16)40-23(24)8-1-2-10(31)11(32)3-8/h1-5,14-15,17-18,20-22,25-35,37-39H,6-7H2/t14?,15?,17-,18-,20?,21?,22-,25?,26+,27+/m1/s1",O=c1c(O[C@@H]2OC(CO)[C@@H](O)C(O)C2O[C@@H]2OC(CO)[C@@H](O)C(O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_sodium,626.1482995,RDUAJIJVNHKTQC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus ololeucos,566818.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus hederaceus'],6,3,7.5 64989,2398,189,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CAXLTZYEJPQCKD-SBQRELSASA-N,"InChI=1S/C33H40O21/c1-9-19(39)23(43)26(46)31(48-9)49-11-5-14(38)18-15(6-11)50-28(10-2-3-12(36)13(37)4-10)29(22(18)42)53-33-30(25(45)21(41)17(8-35)52-33)54-32-27(47)24(44)20(40)16(7-34)51-32/h2-6,9,16-17,19-21,23-27,30-41,43-47H,7-8H2,1H3/t9-,16+,17+,19-,20+,21+,23+,24-,25-,26+,27+,30+,31-,32-,33-/m0/s1",C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(-c4ccc(O)c(O)c4)oc3c2)[C@H](O)[C@H](O)[C@H]1O,C33H40O21,pos_1_1potassium,772.2062083,CAXLTZYEJPQCKD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Aconitum napellus,586780.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum napellus'],6,3,7.5 64990,2398,189,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,MGAFCXOXRHSKIA-WYXVZEBFSA-N,"InChI=1S/C33H40O21/c34-7-15-19(40)23(44)26(47)31(49-15)53-29-24(45)20(41)17(9-36)51-33(29)54-30-25(46)21(42)16(8-35)50-32(30)52-28-22(43)18-13(39)5-12(38)6-14(18)48-27(28)10-1-3-11(37)4-2-10/h1-6,15-17,19-21,23-26,29-42,44-47H,7-9H2/t15-,16-,17-,19-,20+,21-,23+,24+,25+,26-,29-,30-,31+,32+,33+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C33H40O21,pos_1_1potassium,772.2062083,MGAFCXOXRHSKIA,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Nigella glandulifera,5737891.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Nigelleae'],['Nigella'],['Nigella glandulifera'],6,3,7.5 64991,2398,189,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,MGAFCXOXRHSKIA-WYXVZEBFSA-N,"InChI=1S/C33H40O21/c34-7-15-19(40)23(44)26(47)31(49-15)53-29-24(45)20(41)17(9-36)51-33(29)54-30-25(46)21(42)16(8-35)50-32(30)52-28-22(43)18-13(39)5-12(38)6-14(18)48-27(28)10-1-3-11(37)4-2-10/h1-6,15-17,19-21,23-26,29-42,44-47H,7-9H2/t15-,16-,17-,19-,20+,21-,23+,24+,25+,26-,29-,30-,31+,32+,33+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C33H40O21,pos_1_1potassium,772.2062083,MGAFCXOXRHSKIA,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Nigella sativa,142360.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Nigelleae'],['Nigella'],['Nigella sativa'],6,3,7.5 64992,2398,189,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,SPUFXPFDJYNCFD-YQJBXTIASA-N,"InChI=1S/C33H40O21/c1-9-19(38)23(42)26(45)31(49-9)48-8-17-21(40)25(44)28(47)33(53-17)54-30-22(41)18-14(37)5-11(50-32-27(46)24(43)20(39)16(7-34)52-32)6-15(18)51-29(30)10-2-3-12(35)13(36)4-10/h2-6,9,16-17,19-21,23-28,31-40,42-47H,7-8H2,1H3/t9-,16+,17+,19-,20+,21+,23+,24-,25-,26+,27+,28+,31+,32+,33-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C33H40O21,pos_1_1potassium,772.2062083000003,SPUFXPFDJYNCFD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus aquatilis,491491.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus aquatilis'],6,3,7.5 64993,2398,189,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,SPUFXPFDJYNCFD-YQJBXTIASA-N,"InChI=1S/C33H40O21/c1-9-19(38)23(42)26(45)31(49-9)48-8-17-21(40)25(44)28(47)33(53-17)54-30-22(41)18-14(37)5-11(50-32-27(46)24(43)20(39)16(7-34)52-32)6-15(18)51-29(30)10-2-3-12(35)13(36)4-10/h2-6,9,16-17,19-21,23-28,31-40,42-47H,7-8H2,1H3/t9-,16+,17+,19-,20+,21+,23+,24-,25-,26+,27+,28+,31+,32+,33-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C33H40O21,pos_1_1potassium,772.2062083000003,SPUFXPFDJYNCFD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus penicillatus,492327.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus penicillatus'],6,3,7.5 64994,2398,189,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,SPUFXPFDJYNCFD-YQJBXTIASA-N,"InChI=1S/C33H40O21/c1-9-19(38)23(42)26(45)31(49-9)48-8-17-21(40)25(44)28(47)33(53-17)54-30-22(41)18-14(37)5-11(50-32-27(46)24(43)20(39)16(7-34)52-32)6-15(18)51-29(30)10-2-3-12(35)13(36)4-10/h2-6,9,16-17,19-21,23-28,31-40,42-47H,7-8H2,1H3/t9-,16+,17+,19-,20+,21+,23+,24-,25-,26+,27+,28+,31+,32+,33-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C33H40O21,pos_1_1potassium,772.2062083000003,SPUFXPFDJYNCFD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus fluitans,961752.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus fluitans'],6,3,7.5 64995,2398,189,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,SPUFXPFDJYNCFD-YQJBXTIASA-N,"InChI=1S/C33H40O21/c1-9-19(38)23(42)26(45)31(49-9)48-8-17-21(40)25(44)28(47)33(53-17)54-30-22(41)18-14(37)5-11(50-32-27(46)24(43)20(39)16(7-34)52-32)6-15(18)51-29(30)10-2-3-12(35)13(36)4-10/h2-6,9,16-17,19-21,23-28,31-40,42-47H,7-8H2,1H3/t9-,16+,17+,19-,20+,21+,23+,24-,25-,26+,27+,28+,31+,32+,33-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C33H40O21,pos_1_1potassium,772.2062083000003,SPUFXPFDJYNCFD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus rionii,593374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus rionii'],6,3,7.5 64996,2398,189,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,SPUFXPFDJYNCFD-YQJBXTIASA-N,"InChI=1S/C33H40O21/c1-9-19(38)23(42)26(45)31(49-9)48-8-17-21(40)25(44)28(47)33(53-17)54-30-22(41)18-14(37)5-11(50-32-27(46)24(43)20(39)16(7-34)52-32)6-15(18)51-29(30)10-2-3-12(35)13(36)4-10/h2-6,9,16-17,19-21,23-28,31-40,42-47H,7-8H2,1H3/t9-,16+,17+,19-,20+,21+,23+,24-,25-,26+,27+,28+,31+,32+,33-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C33H40O21,pos_1_1potassium,772.2062083000003,SPUFXPFDJYNCFD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus hederaceus,566818.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus hederaceus'],6,3,7.5 64997,2398,189,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,SPUFXPFDJYNCFD-YQJBXTIASA-N,"InChI=1S/C33H40O21/c1-9-19(38)23(42)26(45)31(49-9)48-8-17-21(40)25(44)28(47)33(53-17)54-30-22(41)18-14(37)5-11(50-32-27(46)24(43)20(39)16(7-34)52-32)6-15(18)51-29(30)10-2-3-12(35)13(36)4-10/h2-6,9,16-17,19-21,23-28,31-40,42-47H,7-8H2,1H3/t9-,16+,17+,19-,20+,21+,23+,24-,25-,26+,27+,28+,31+,32+,33-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C33H40O21,pos_1_1potassium,772.2062083000003,SPUFXPFDJYNCFD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus peltatus,816424.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus peltatus'],6,3,7.5 64998,2398,189,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,SPUFXPFDJYNCFD-YQJBXTIASA-N,"InChI=1S/C33H40O21/c1-9-19(38)23(42)26(45)31(49-9)48-8-17-21(40)25(44)28(47)33(53-17)54-30-22(41)18-14(37)5-11(50-32-27(46)24(43)20(39)16(7-34)52-32)6-15(18)51-29(30)10-2-3-12(35)13(36)4-10/h2-6,9,16-17,19-21,23-28,31-40,42-47H,7-8H2,1H3/t9-,16+,17+,19-,20+,21+,23+,24-,25-,26+,27+,28+,31+,32+,33-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C33H40O21,pos_1_1potassium,772.2062083000003,SPUFXPFDJYNCFD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus sphaerospermus,1033259.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus sphaerospermus'],6,3,7.5 64999,2398,189,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,MGAFCXOXRHSKIA-WYXVZEBFSA-N,"InChI=1S/C33H40O21/c34-7-15-19(40)23(44)26(47)31(49-15)53-29-24(45)20(41)17(9-36)51-33(29)54-30-25(46)21(42)16(8-35)50-32(30)52-28-22(43)18-13(39)5-12(38)6-14(18)48-27(28)10-1-3-11(37)4-2-10/h1-6,15-17,19-21,23-26,29-42,44-47H,7-9H2/t15-,16-,17-,19-,20+,21-,23+,24+,25+,26-,29-,30-,31+,32+,33+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C33H40O21,pos_1_1potassium,772.2062083,MGAFCXOXRHSKIA,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Nigella sativa,142360.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Nigelleae'],['Nigella'],['Nigella sativa'],6,3,7.5 65000,2398,189,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,SPUFXPFDJYNCFD-YQJBXTIASA-N,"InChI=1S/C33H40O21/c1-9-19(38)23(42)26(45)31(49-9)48-8-17-21(40)25(44)28(47)33(53-17)54-30-22(41)18-14(37)5-11(50-32-27(46)24(43)20(39)16(7-34)52-32)6-15(18)51-29(30)10-2-3-12(35)13(36)4-10/h2-6,9,16-17,19-21,23-28,31-40,42-47H,7-8H2,1H3/t9-,16+,17+,19-,20+,21+,23+,24-,25-,26+,27+,28+,31+,32+,33-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C33H40O21,pos_1_1potassium,772.2062083000003,SPUFXPFDJYNCFD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus aquatilis var. diffusus,5264025.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus aquatilis'],6,3,7.5 65001,2398,189,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,SPUFXPFDJYNCFD-YQJBXTIASA-N,"InChI=1S/C33H40O21/c1-9-19(38)23(42)26(45)31(49-9)48-8-17-21(40)25(44)28(47)33(53-17)54-30-22(41)18-14(37)5-11(50-32-27(46)24(43)20(39)16(7-34)52-32)6-15(18)51-29(30)10-2-3-12(35)13(36)4-10/h2-6,9,16-17,19-21,23-28,31-40,42-47H,7-8H2,1H3/t9-,16+,17+,19-,20+,21+,23+,24-,25-,26+,27+,28+,31+,32+,33-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C33H40O21,pos_1_1potassium,772.2062083000003,SPUFXPFDJYNCFD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus aquatilis,491491.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus aquatilis'],6,3,7.5 65002,2398,189,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,SPUFXPFDJYNCFD-YQJBXTIASA-N,"InChI=1S/C33H40O21/c1-9-19(38)23(42)26(45)31(49-9)48-8-17-21(40)25(44)28(47)33(53-17)54-30-22(41)18-14(37)5-11(50-32-27(46)24(43)20(39)16(7-34)52-32)6-15(18)51-29(30)10-2-3-12(35)13(36)4-10/h2-6,9,16-17,19-21,23-28,31-40,42-47H,7-8H2,1H3/t9-,16+,17+,19-,20+,21+,23+,24-,25-,26+,27+,28+,31+,32+,33-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C33H40O21,pos_1_1potassium,772.2062083000003,SPUFXPFDJYNCFD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus penicillatus,492327.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus penicillatus'],6,3,7.5 65003,2398,189,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,SPUFXPFDJYNCFD-YQJBXTIASA-N,"InChI=1S/C33H40O21/c1-9-19(38)23(42)26(45)31(49-9)48-8-17-21(40)25(44)28(47)33(53-17)54-30-22(41)18-14(37)5-11(50-32-27(46)24(43)20(39)16(7-34)52-32)6-15(18)51-29(30)10-2-3-12(35)13(36)4-10/h2-6,9,16-17,19-21,23-28,31-40,42-47H,7-8H2,1H3/t9-,16+,17+,19-,20+,21+,23+,24-,25-,26+,27+,28+,31+,32+,33-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C33H40O21,pos_1_1potassium,772.2062083000003,SPUFXPFDJYNCFD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus fluitans,961752.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus fluitans'],6,3,7.5 65004,2398,189,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,SPUFXPFDJYNCFD-YQJBXTIASA-N,"InChI=1S/C33H40O21/c1-9-19(38)23(42)26(45)31(49-9)48-8-17-21(40)25(44)28(47)33(53-17)54-30-22(41)18-14(37)5-11(50-32-27(46)24(43)20(39)16(7-34)52-32)6-15(18)51-29(30)10-2-3-12(35)13(36)4-10/h2-6,9,16-17,19-21,23-28,31-40,42-47H,7-8H2,1H3/t9-,16+,17+,19-,20+,21+,23+,24-,25-,26+,27+,28+,31+,32+,33-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C33H40O21,pos_1_1potassium,772.2062083000003,SPUFXPFDJYNCFD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus rionii,593374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus rionii'],6,3,7.5 65005,2398,189,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,SPUFXPFDJYNCFD-YQJBXTIASA-N,"InChI=1S/C33H40O21/c1-9-19(38)23(42)26(45)31(49-9)48-8-17-21(40)25(44)28(47)33(53-17)54-30-22(41)18-14(37)5-11(50-32-27(46)24(43)20(39)16(7-34)52-32)6-15(18)51-29(30)10-2-3-12(35)13(36)4-10/h2-6,9,16-17,19-21,23-28,31-40,42-47H,7-8H2,1H3/t9-,16+,17+,19-,20+,21+,23+,24-,25-,26+,27+,28+,31+,32+,33-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C33H40O21,pos_1_1potassium,772.2062083000003,SPUFXPFDJYNCFD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus hederaceus,566818.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus hederaceus'],6,3,7.5 65006,2398,189,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,SPUFXPFDJYNCFD-YQJBXTIASA-N,"InChI=1S/C33H40O21/c1-9-19(38)23(42)26(45)31(49-9)48-8-17-21(40)25(44)28(47)33(53-17)54-30-22(41)18-14(37)5-11(50-32-27(46)24(43)20(39)16(7-34)52-32)6-15(18)51-29(30)10-2-3-12(35)13(36)4-10/h2-6,9,16-17,19-21,23-28,31-40,42-47H,7-8H2,1H3/t9-,16+,17+,19-,20+,21+,23+,24-,25-,26+,27+,28+,31+,32+,33-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C33H40O21,pos_1_1potassium,772.2062083000003,SPUFXPFDJYNCFD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus peltatus,816424.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus peltatus'],6,3,7.5 65007,2398,189,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,SPUFXPFDJYNCFD-YQJBXTIASA-N,"InChI=1S/C33H40O21/c1-9-19(38)23(42)26(45)31(49-9)48-8-17-21(40)25(44)28(47)33(53-17)54-30-22(41)18-14(37)5-11(50-32-27(46)24(43)20(39)16(7-34)52-32)6-15(18)51-29(30)10-2-3-12(35)13(36)4-10/h2-6,9,16-17,19-21,23-28,31-40,42-47H,7-8H2,1H3/t9-,16+,17+,19-,20+,21+,23+,24-,25-,26+,27+,28+,31+,32+,33-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C33H40O21,pos_1_1potassium,772.2062083000003,SPUFXPFDJYNCFD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus sphaerospermus,1033259.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus sphaerospermus'],6,3,7.5 65008,2398,189,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,SPUFXPFDJYNCFD-YQJBXTIASA-N,"InChI=1S/C33H40O21/c1-9-19(38)23(42)26(45)31(49-9)48-8-17-21(40)25(44)28(47)33(53-17)54-30-22(41)18-14(37)5-11(50-32-27(46)24(43)20(39)16(7-34)52-32)6-15(18)51-29(30)10-2-3-12(35)13(36)4-10/h2-6,9,16-17,19-21,23-28,31-40,42-47H,7-8H2,1H3/t9-,16+,17+,19-,20+,21+,23+,24-,25-,26+,27+,28+,31+,32+,33-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C33H40O21,pos_1_1potassium,772.2062083000003,SPUFXPFDJYNCFD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus aquatilis var. diffusus,5264025.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus aquatilis'],6,3,7.5 65009,2398,189,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,SPUFXPFDJYNCFD-HUGNALTDSA-N,"InChI=1S/C33H40O21/c1-9-19(38)23(42)26(45)31(49-9)48-8-17-21(40)25(44)28(47)33(53-17)54-30-22(41)18-14(37)5-11(50-32-27(46)24(43)20(39)16(7-34)52-32)6-15(18)51-29(30)10-2-3-12(35)13(36)4-10/h2-6,9,16-17,19-21,23-28,31-40,42-47H,7-8H2,1H3/t9?,16?,17?,19-,20+,21+,23-,24-,25?,26?,27?,28?,31+,32+,33-/m0/s1",CC1O[C@@H](OCC2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O[C@@H]5OC(CO)[C@@H](O)[C@H](O)C5O)cc(O)c4c3=O)C(O)C(O)[C@@H]2O)C(O)[C@@H](O)[C@H]1O,C33H40O21,pos_1_1potassium,772.2062083000003,SPUFXPFDJYNCFD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus ololeucos,566818.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus hederaceus'],6,3,7.5 65010,2398,189,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,SPUFXPFDJYNCFD-HUGNALTDSA-N,"InChI=1S/C33H40O21/c1-9-19(38)23(42)26(45)31(49-9)48-8-17-21(40)25(44)28(47)33(53-17)54-30-22(41)18-14(37)5-11(50-32-27(46)24(43)20(39)16(7-34)52-32)6-15(18)51-29(30)10-2-3-12(35)13(36)4-10/h2-6,9,16-17,19-21,23-28,31-40,42-47H,7-8H2,1H3/t9?,16?,17?,19-,20+,21+,23-,24-,25?,26?,27?,28?,31+,32+,33-/m0/s1",CC1O[C@@H](OCC2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O[C@@H]5OC(CO)[C@@H](O)[C@H](O)C5O)cc(O)c4c3=O)C(O)C(O)[C@@H]2O)C(O)[C@@H](O)[C@H]1O,C33H40O21,pos_1_1potassium,772.2062083000003,SPUFXPFDJYNCFD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus ololeucos,566818.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus hederaceus'],6,3,7.5 65011,2398,189,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,MGAFCXOXRHSKIA-WYXVZEBFSA-N,"InChI=1S/C33H40O21/c34-7-15-19(40)23(44)26(47)31(49-15)53-29-24(45)20(41)17(9-36)51-33(29)54-30-25(46)21(42)16(8-35)50-32(30)52-28-22(43)18-13(39)5-12(38)6-14(18)48-27(28)10-1-3-11(37)4-2-10/h1-6,15-17,19-21,23-26,29-42,44-47H,7-9H2/t15-,16-,17-,19-,20+,21-,23+,24+,25+,26-,29-,30-,31+,32+,33+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C33H40O21,pos_1_1potassium,772.2062083,MGAFCXOXRHSKIA,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Nigella glandulifera,5737891.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Nigelleae'],['Nigella'],['Nigella glandulifera'],6,3,7.5 64981,2396,58,Polyketides,Glycerolipids,Glycosyldiacylglycerols,0.30798325,ISDB,QIVLWPIJESKEMW-JHJDZIRVSA-N,"InChI=1S/C37H60O5/c1-25(17-23-41-27(3)38)12-14-29-26(2)13-15-30-35(29,7)19-11-20-36(30,8)32(39)42-37(9)21-10-18-34(6)22-16-28(24-31(34)37)33(4,5)40/h17,28-31,40H,2,10-16,18-24H2,1,3-9H3/b25-17+/t28-,29+,30-,31-,34-,35-,36+,37-/m1/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O[C@]2(C)CCC[C@]3(C)CC[C@@H](C(C)(C)O)C[C@H]32)[C@H]1CC/C(C)=C/COC(C)=O,C37H60O5,,584.4440750199999,QIVLWPIJESKEMW,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinalia japonica,3979206.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Podochileae'],['Conchidium'],['Conchidium japonicum'],4,0,5.231932997703552 64982,2396,58,Polyketides,Glycerolipids,Glycosyldiacylglycerols,0.30798325,ISDB,QIVLWPIJESKEMW-JHJDZIRVSA-N,"InChI=1S/C37H60O5/c1-25(17-23-41-27(3)38)12-14-29-26(2)13-15-30-35(29,7)19-11-20-36(30,8)32(39)42-37(9)21-10-18-34(6)22-16-28(24-31(34)37)33(4,5)40/h17,28-31,40H,2,10-16,18-24H2,1,3-9H3/b25-17+/t28-,29+,30-,31-,34-,35-,36+,37-/m1/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O[C@]2(C)CCC[C@]3(C)CC[C@@H](C(C)(C)O)C[C@H]32)[C@H]1CC/C(C)=C/COC(C)=O,C37H60O5,,584.4440750199999,QIVLWPIJESKEMW,Terpenoids,Diterpenoids,Labdane diterpenoids,Conchidium japonicum,3979206.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Podochileae'],['Conchidium'],['Conchidium japonicum'],4,0,5.231932997703552 64980,2394,325,Shikimates and Phenylpropanoids,Flavonoids,Iridoids monoterpenoids,0.22789995,ISDB,HKSWNVKSXBFJGZ-YMILTQATSA-N,"InChI=1S/C16H18O10/c17-4-11-13(21)14(22)15(23)16(26-11)24-5-7-3-9(20)12-8(19)1-6(18)2-10(12)25-7/h1-3,11,13-19,21-23H,4-5H2/t11-,13-,14+,15-,16-/m1/s1",O=c1cc(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)oc2cc(O)cc(O)c12,C16H18O10,,370.089996776,HKSWNVKSXBFJGZ,Polyketides,Chromanes,Chromones,Cnidium monnieri,993235.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Selineae'],['Cnidium'],['Cnidium monnieri'],4,0,4.911599814891815 64976,2391,1514,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,0.5513649,ISDB,SAMOBDXITATWFO-GBQWXGIDSA-N,"InChI=1S/C35H34O18/c36-16-9-20(39)17-11-25(32(50-24(17)10-16)15-3-5-19(38)22(41)8-15)51-35-33(53-34-31(47)28(44)23(42)12-49-34)30(46)29(45)26(52-35)13-48-27(43)6-2-14-1-4-18(37)21(40)7-14/h1-11,23,26,28-31,33-38,40-42,44-47H,12-13H2/t23-,26-,28+,29+,30+,31-,33-,34+,35-/m1/s1",O=C(C=Cc1ccc(O)c(O)c1)OC[C@H]1O[C@@H](Oc2cc3c(=O)cc(O)cc-3oc2-c2ccc(O)c(O)c2)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,C35H34O18,,742.174514248,SAMOBDXITATWFO,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Camellia reticulata,83755.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Theaceae'],['Unknown'],['Camellia'],['Camellia reticulata'],4,3,7.7054595947265625 64977,2391,1514,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,0.5513649,ISDB,SAMOBDXITATWFO-GCNWMLFFSA-N,"InChI=1S/C35H34O18/c36-16-9-20(39)17-11-25(32(50-24(17)10-16)15-3-5-19(38)22(41)8-15)51-35-33(53-34-31(47)28(44)23(42)12-49-34)30(46)29(45)26(52-35)13-48-27(43)6-2-14-1-4-18(37)21(40)7-14/h1-11,23,26,28-31,33-38,40-42,44-47H,12-13H2/t23-,26+,28-,29+,30-,31-,33+,34-,35+/m0/s1",O=C(C=Cc1ccc(O)c(O)c1)OC[C@H]1O[C@@H](Oc2cc3c(=O)cc(O)cc-3oc2-c2ccc(O)c(O)c2)[C@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O,C35H34O18,,742.174514248,SAMOBDXITATWFO,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Begonia,530190.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cucurbitales'],['Begoniaceae'],['Unknown'],['Begonia'],['Unknown'],4,3,7.7054595947265625 64946,2390,205,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.58875304,ISDB,MPYHGNAJOKCMAQ-UHFFFAOYSA-N,"InChI=1S/C20H25NO4/c1-21-8-7-14-11-19(24-3)20(25-4)12-15(14)16(21)9-13-5-6-18(23-2)17(22)10-13/h5-6,10-12,16,22H,7-9H2,1-4H3",COc1ccc(CC2c3cc(OC)c(OC)cc3CCN2C)cc1O,C20H25NO4,,343.17835828,MPYHGNAJOKCMAQ,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Stephania macrantha,5503511.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Menispermaceae'],['Cissampelideae'],['Stephania'],['Stephania macrantha'],5,3,8.85501217842102 64947,2390,205,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.58875304,ISDB,MPYHGNAJOKCMAQ-UHFFFAOYSA-N,"InChI=1S/C20H25NO4/c1-21-8-7-14-11-19(24-3)20(25-4)12-15(14)16(21)9-13-5-6-18(23-2)17(22)10-13/h5-6,10-12,16,22H,7-9H2,1-4H3",COc1ccc(CC2c3cc(OC)c(OC)cc3CCN2C)cc1O,C20H25NO4,,343.17835828,MPYHGNAJOKCMAQ,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver somniferum,438118.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver somniferum'],5,3,8.85501217842102 64948,2390,205,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.58875304,ISDB,MPYHGNAJOKCMAQ-UHFFFAOYSA-N,"InChI=1S/C20H25NO4/c1-21-8-7-14-11-19(24-3)20(25-4)12-15(14)16(21)9-13-5-6-18(23-2)17(22)10-13/h5-6,10-12,16,22H,7-9H2,1-4H3",COc1ccc(CC2c3cc(OC)c(OC)cc3CCN2C)cc1O,C20H25NO4,,343.17835828,MPYHGNAJOKCMAQ,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Stephania aculeata,5727732.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Menispermaceae'],['Anomospermeae'],['Echinostephia'],['Echinostephia aculeata'],5,3,8.85501217842102 64949,2390,205,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.58875304,ISDB,MPYHGNAJOKCMAQ-UHFFFAOYSA-N,"InChI=1S/C20H25NO4/c1-21-8-7-14-11-19(24-3)20(25-4)12-15(14)16(21)9-13-5-6-18(23-2)17(22)10-13/h5-6,10-12,16,22H,7-9H2,1-4H3",COc1ccc(CC2c3cc(OC)c(OC)cc3CCN2C)cc1O,C20H25NO4,,343.17835828,MPYHGNAJOKCMAQ,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Stephania bancroftii,6130042.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Menispermaceae'],['Cissampelideae'],['Stephania'],['Stephania bancroftii'],5,3,8.85501217842102 64950,2390,205,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.58875304,ISDB,MPYHGNAJOKCMAQ-INIZCTEOSA-N,"InChI=1S/C20H25NO4/c1-21-8-7-14-11-19(24-3)20(25-4)12-15(14)16(21)9-13-5-6-18(23-2)17(22)10-13/h5-6,10-12,16,22H,7-9H2,1-4H3/t16-/m0/s1",COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CCN2C)cc1O,C20H25NO4,,343.17835828,MPYHGNAJOKCMAQ,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Stephania cephalantha,292978.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Menispermaceae'],['Cissampelideae'],['Stephania'],['Stephania cephalantha'],5,3,8.85501217842102 64951,2390,205,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.58875304,ISDB,MPYHGNAJOKCMAQ-INIZCTEOSA-N,"InChI=1S/C20H25NO4/c1-21-8-7-14-11-19(24-3)20(25-4)12-15(14)16(21)9-13-5-6-18(23-2)17(22)10-13/h5-6,10-12,16,22H,7-9H2,1-4H3/t16-/m0/s1",COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CCN2C)cc1O,C20H25NO4,,343.17835828,MPYHGNAJOKCMAQ,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Stephania viridiflavens,5503510.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Menispermaceae'],['Cissampelideae'],['Stephania'],['Stephania viridiflavens'],5,3,8.85501217842102 64945,2389,73,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.35072777,ISDB,LZUMFOJNPXMVHE-FOAIJFERSA-N,"InChI=1S/C45H66O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,29-32,38-39,42-46,49-51H,3-4,9-10,15-16,21-22,27-28,33-37H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-/t38-,39-,42+,43+,44-,45-/m1/s1",CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,C45H66O10,,766.4655983119999,LZUMFOJNPXMVHE,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Heterocapsa circularisquama,817277.0,['Eukaryota'],['Unknown'],['Unknown'],['Dinophyceae'],['Peridiniales'],['Unknown'],['Unknown'],['Heterocapsa'],['Heterocapsa circularisquama'],1,0,2.402911067008972 64940,2387,253,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.48075652,ISDB,GVSGSHGXUXLQNS-UHFFFAOYSA-N,"InChI=1S/C7H5BrO3/c8-5-1-4(3-9)2-6(10)7(5)11/h1-3,10-11H",O=Cc1cc(O)c(O)c(Br)c1,C7H5BrO3,,215.94220612,GVSGSHGXUXLQNS,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Rhodomela confervoides,855466.0,['Eukaryota'],['Archaeplastida'],['Rhodophyta'],['Florideophycidae'],['Unknown'],['Unknown'],['Unknown'],['Rhodomela'],['Rhodomela confervoides'],2,3,5.423026084899902 64941,2387,253,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.48075652,ISDB,GVSGSHGXUXLQNS-UHFFFAOYSA-N,"InChI=1S/C7H5BrO3/c8-5-1-4(3-9)2-6(10)7(5)11/h1-3,10-11H",O=Cc1cc(O)c(O)c(Br)c1,C7H5BrO3,,215.94220612,GVSGSHGXUXLQNS,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Polysiphonia lanosa,359042.0,['Eukaryota'],['Archaeplastida'],['Rhodophyta'],['Florideophycidae'],['Unknown'],['Unknown'],['Unknown'],['Vertebrata'],['Vertebrata lanosa'],2,3,5.423026084899902 64942,2387,253,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.48075652,ISDB,GVSGSHGXUXLQNS-UHFFFAOYSA-N,"InChI=1S/C7H5BrO3/c8-5-1-4(3-9)2-6(10)7(5)11/h1-3,10-11H",O=Cc1cc(O)c(O)c(Br)c1,C7H5BrO3,,215.94220612,GVSGSHGXUXLQNS,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Polysiphonia stricta,670250.0,['Eukaryota'],['Archaeplastida'],['Rhodophyta'],['Florideophycidae'],['Unknown'],['Unknown'],['Unknown'],['Polysiphonia'],['Polysiphonia stricta'],2,3,5.423026084899902 64943,2387,253,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.48075652,ISDB,GVSGSHGXUXLQNS-UHFFFAOYSA-N,"InChI=1S/C7H5BrO3/c8-5-1-4(3-9)2-6(10)7(5)11/h1-3,10-11H",O=Cc1cc(O)c(O)c(Br)c1,C7H5BrO3,,215.94220612,GVSGSHGXUXLQNS,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Polysiphonia urceolata,795169.0,['Eukaryota'],['Archaeplastida'],['Rhodophyta'],['Florideophycidae'],['Unknown'],['Unknown'],['Unknown'],['Polysiphonia'],['Polysiphonia urceolata'],2,3,5.423026084899902 64944,2387,253,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.48075652,ISDB,GVSGSHGXUXLQNS-UHFFFAOYSA-N,"InChI=1S/C7H5BrO3/c8-5-1-4(3-9)2-6(10)7(5)11/h1-3,10-11H",O=Cc1cc(O)c(O)c(Br)c1,C7H5BrO3,,215.94220612,GVSGSHGXUXLQNS,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Polysiphonia morrowii,723100.0,['Eukaryota'],['Archaeplastida'],['Rhodophyta'],['Florideophycidae'],['Unknown'],['Unknown'],['Unknown'],['Polysiphonia'],['Polysiphonia morrowii'],2,3,5.423026084899902 64938,2386,632,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,NMAOZVAEJYOPOF-SECBINFHSA-N,"InChI=1S/C10H12O5/c1-15-10(14)9(13)5-6-2-3-7(11)8(12)4-6/h2-4,9,11-13H,5H2,1H3/t9-/m1/s1",COC(=O)[C@H](O)Cc1ccc(O)c(O)c1,C10H12O5,pos_2MHNH3,212.068473484,NMAOZVAEJYOPOF,Shikimates and Phenylpropanoids,,,Ranunculus chinensis,162150.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus chinensis'],6,0,6.0 64939,2386,632,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,NMAOZVAEJYOPOF-SECBINFHSA-N,"InChI=1S/C10H12O5/c1-15-10(14)9(13)5-6-2-3-7(11)8(12)4-6/h2-4,9,11-13H,5H2,1H3/t9-/m1/s1",COC(=O)[C@H](O)Cc1ccc(O)c(O)c1,C10H12O5,pos_2MHNH3,212.068473484,NMAOZVAEJYOPOF,Shikimates and Phenylpropanoids,,,Ranunculus cantoniensis,118756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus cantoniensis'],6,0,6.0 64912,2385,477,Terpenoids,Apocarotenoids,Megastigmanes,0.5661211,ISDB,ROTRZDNJZBPLJO-MLONCLLVSA-N,"InChI=1S/C19H34O7/c1-10-5-8-14(21)19(3,4)12(10)7-6-11(2)25-18-17(24)16(23)15(22)13(9-20)26-18/h11,13-18,20-24H,5-9H2,1-4H3/t11-,13-,14-,15-,16+,17-,18-/m1/s1",CC1=C(CC[C@@H](C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@H](O)CC1,C19H34O7,,374.230453428,ROTRZDNJZBPLJO,Terpenoids,Apocarotenoids,Megastigmanes,Alangium platanifolium,414781.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Alangium'],['Alangium platanifolium'],4,3,7.764484405517578 64907,2382,1342,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,NFUHNVZGHNEYRG-GKRKWVKGSA-N,"InChI=1S/C26H36O12/c1-34-18-11-15(6-7-16(18)29)22(30)20(12-27)37-17-8-5-14(10-19(17)35-2)4-3-9-36-26-25(33)24(32)23(31)21(13-28)38-26/h5-8,10-11,20-33H,3-4,9,12-13H2,1-2H3/t20-,21-,22+,23-,24+,25-,26-/m1/s1",COc1cc([C@H](O)[C@@H](CO)Oc2ccc(CCCO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2OC)ccc1O,C26H36O12,pos_1_sodium,540.2206765919998,NFUHNVZGHNEYRG,Shikimates and Phenylpropanoids,Lignans,Neolignans,Lonicera gracilipes,920854.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera gracilipes'],7,3,8.5 64908,2382,1342,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,NFUHNVZGHNEYRG-GKRKWVKGSA-N,"InChI=1S/C26H36O12/c1-34-18-11-15(6-7-16(18)29)22(30)20(12-27)37-17-8-5-14(10-19(17)35-2)4-3-9-36-26-25(33)24(32)23(31)21(13-28)38-26/h5-8,10-11,20-33H,3-4,9,12-13H2,1-2H3/t20-,21-,22+,23-,24+,25-,26-/m1/s1",COc1cc([C@H](O)[C@@H](CO)Oc2ccc(CCCO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2OC)ccc1O,C26H36O12,pos_1_sodium,540.2206765919998,NFUHNVZGHNEYRG,Shikimates and Phenylpropanoids,Lignans,Neolignans,Lonicera gracilipes,920854.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera gracilipes'],7,3,8.5 64909,2382,1342,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,VHHJRIJKJTYYIZ-GKRKWVKGSA-N,"InChI=1S/C26H36O12/c1-34-18-10-14(4-3-9-27)5-7-16(18)36-20(12-28)22(30)15-6-8-17(19(11-15)35-2)37-26-25(33)24(32)23(31)21(13-29)38-26/h5-8,10-11,20-33H,3-4,9,12-13H2,1-2H3/t20-,21-,22+,23-,24+,25-,26-/m1/s1",COc1cc([C@H](O)[C@@H](CO)Oc2ccc(CCCO)cc2OC)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C26H36O12,pos_1_sodium,540.220676592,VHHJRIJKJTYYIZ,Shikimates and Phenylpropanoids,Lignans,Neolignans,Lonicera gracilipes,920854.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera gracilipes'],7,3,8.5 64910,2382,1342,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,HZYWTYSKPVTFNA-URGBZLTBSA-N,"InChI=1S/C26H36O12/c1-34-18-11-15(6-7-16(18)30)25(38-26-24(33)23(32)22(31)20(12-28)37-26)21(13-29)36-17-8-5-14(4-3-9-27)10-19(17)35-2/h5-8,10-11,20-33H,3-4,9,12-13H2,1-2H3/t20-,21+,22-,23+,24-,25+,26+/m1/s1",COc1cc([C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](CO)Oc2ccc(CCCO)cc2OC)ccc1O,C26H36O12,pos_1_sodium,540.220676592,HZYWTYSKPVTFNA,Shikimates and Phenylpropanoids,Lignans,Neolignans,Lonicera gracilipes,920854.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera gracilipes'],7,3,8.5 64905,2377,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,NKFZLEYLWAFYEH-NSSLBSGISA-N,"InChI=1S/C26H28O16/c27-6-15-18(34)20(36)24(42-25-21(37)17(33)13(32)7-38-25)26(40-15)41-23-19(35)16-12(31)4-9(28)5-14(16)39-22(23)8-1-2-10(29)11(30)3-8/h1-5,13,15,17-18,20-21,24-34,36-37H,6-7H2/t13-,15+,17-,18-,20-,21+,24+,25-,26-/m0/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C26H28O16,pos_1_1proton,596.1377348159999,NKFZLEYLWAFYEH,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Helleborus viridis,948053.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Helleboreae'],['Helleborus'],['Helleborus viridis'],6,3,7.5 64906,2377,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,NKFZLEYLWAFYEH-NSSLBSGISA-N,"InChI=1S/C26H28O16/c27-6-15-18(34)20(36)24(42-25-21(37)17(33)13(32)7-38-25)26(40-15)41-23-19(35)16-12(31)4-9(28)5-14(16)39-22(23)8-1-2-10(29)11(30)3-8/h1-5,13,15,17-18,20-21,24-34,36-37H,6-7H2/t13-,15+,17-,18-,20-,21+,24+,25-,26-/m0/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C26H28O16,pos_1_1proton,596.1377348159999,NKFZLEYLWAFYEH,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Helleborus viridis,948053.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Helleboreae'],['Helleborus'],['Helleborus viridis'],6,3,7.5 64898,2376,1514,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,0.5555237,ISDB,FBBKXUQEUJYJAW-LXUWXYTASA-N,"InChI=1S/C35H34O19/c36-11-23-27(46)29(48)33(54-34-32(26(45)21(43)12-49-34)52-24(44)6-2-13-1-4-16(38)18(40)7-13)35(51-23)53-31-28(47)25-20(42)9-15(37)10-22(25)50-30(31)14-3-5-17(39)19(41)8-14/h1-10,21,23,26-27,29,32-43,45-46,48H,11-12H2/b6-2+/t21-,23+,26-,27-,29-,32+,33+,34-,35-/m0/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O[C@H]2[C@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)O[C@H](CO)[C@H](O)[C@@H]2O)OC[C@H](O)[C@@H]1O,C35H34O19,,758.1694288680003,FBBKXUQEUJYJAW,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Helleborus viridis,948053.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Helleboreae'],['Helleborus'],['Helleborus viridis'],6,2,9.222094774246216 64899,2376,1514,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,0.5555237,ISDB,FBBKXUQEUJYJAW-LXUWXYTASA-N,"InChI=1S/C35H34O19/c36-11-23-27(46)29(48)33(54-34-32(26(45)21(43)12-49-34)52-24(44)6-2-13-1-4-16(38)18(40)7-13)35(51-23)53-31-28(47)25-20(42)9-15(37)10-22(25)50-30(31)14-3-5-17(39)19(41)8-14/h1-10,21,23,26-27,29,32-43,45-46,48H,11-12H2/b6-2+/t21-,23+,26-,27-,29-,32+,33+,34-,35-/m0/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O[C@H]2[C@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)O[C@H](CO)[C@H](O)[C@@H]2O)OC[C@H](O)[C@@H]1O,C35H34O19,,758.1694288680003,FBBKXUQEUJYJAW,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus cantoniensis,118756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus cantoniensis'],6,2,9.222094774246216 64900,2376,1514,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,0.5555237,ISDB,FBBKXUQEUJYJAW-LXUWXYTASA-N,"InChI=1S/C35H34O19/c36-11-23-27(46)29(48)33(54-34-32(26(45)21(43)12-49-34)52-24(44)6-2-13-1-4-16(38)18(40)7-13)35(51-23)53-31-28(47)25-20(42)9-15(37)10-22(25)50-30(31)14-3-5-17(39)19(41)8-14/h1-10,21,23,26-27,29,32-43,45-46,48H,11-12H2/b6-2+/t21-,23+,26-,27-,29-,32+,33+,34-,35-/m0/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O[C@H]2[C@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)O[C@H](CO)[C@H](O)[C@@H]2O)OC[C@H](O)[C@@H]1O,C35H34O19,,758.1694288680003,FBBKXUQEUJYJAW,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus chinensis,162150.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus chinensis'],6,2,9.222094774246216 64886,2375,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,DUBCCGAQYVUYEU-ZUGPOPFOSA-N,"InChI=1S/C21H18O13/c22-7-4-10(25)12-11(5-7)32-17(6-1-2-8(23)9(24)3-6)18(13(12)26)33-21-16(29)14(27)15(28)19(34-21)20(30)31/h1-5,14-16,19,21-25,27-29H,(H,30,31)/t14-,15-,16+,19-,21+/m0/s1",O=C(O)[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C21H18O13,pos_1_1proton,478.0747406359998,DUBCCGAQYVUYEU,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Clematis stans,21283.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis stans'],8,3,9.5 64887,2375,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,DUBCCGAQYVUYEU-ZUGPOPFOSA-N,"InChI=1S/C21H18O13/c22-7-4-10(25)12-11(5-7)32-17(6-1-2-8(23)9(24)3-6)18(13(12)26)33-21-16(29)14(27)15(28)19(34-21)20(30)31/h1-5,14-16,19,21-25,27-29H,(H,30,31)/t14-,15-,16+,19-,21+/m0/s1",O=C(O)[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C21H18O13,pos_1_1proton,478.0747406359998,DUBCCGAQYVUYEU,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Clematis rehderiana,289952.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis rehderiana'],8,3,9.5 64888,2375,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,DUBCCGAQYVUYEU-ZUGPOPFOSA-N,"InChI=1S/C21H18O13/c22-7-4-10(25)12-11(5-7)32-17(6-1-2-8(23)9(24)3-6)18(13(12)26)33-21-16(29)14(27)15(28)19(34-21)20(30)31/h1-5,14-16,19,21-25,27-29H,(H,30,31)/t14-,15-,16+,19-,21+/m0/s1",O=C(O)[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C21H18O13,pos_1_1proton,478.0747406359998,DUBCCGAQYVUYEU,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Clematis stans,21283.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis stans'],8,3,9.5 64889,2375,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,DUBCCGAQYVUYEU-ZUGPOPFOSA-N,"InChI=1S/C21H18O13/c22-7-4-10(25)12-11(5-7)32-17(6-1-2-8(23)9(24)3-6)18(13(12)26)33-21-16(29)14(27)15(28)19(34-21)20(30)31/h1-5,14-16,19,21-25,27-29H,(H,30,31)/t14-,15-,16+,19-,21+/m0/s1",O=C(O)[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C21H18O13,pos_1_1proton,478.0747406359998,DUBCCGAQYVUYEU,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Clematis rehderiana,289952.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis rehderiana'],8,3,9.5 64890,2375,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,DUBCCGAQYVUYEU-ZUGPOPFOSA-N,"InChI=1S/C21H18O13/c22-7-4-10(25)12-11(5-7)32-17(6-1-2-8(23)9(24)3-6)18(13(12)26)33-21-16(29)14(27)15(28)19(34-21)20(30)31/h1-5,14-16,19,21-25,27-29H,(H,30,31)/t14-,15-,16+,19-,21+/m0/s1",O=C(O)[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C21H18O13,pos_1_1proton,478.0747406359998,DUBCCGAQYVUYEU,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Clematis stans,21283.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis stans'],8,3,9.5 64891,2375,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,DUBCCGAQYVUYEU-ZUGPOPFOSA-N,"InChI=1S/C21H18O13/c22-7-4-10(25)12-11(5-7)32-17(6-1-2-8(23)9(24)3-6)18(13(12)26)33-21-16(29)14(27)15(28)19(34-21)20(30)31/h1-5,14-16,19,21-25,27-29H,(H,30,31)/t14-,15-,16+,19-,21+/m0/s1",O=C(O)[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C21H18O13,pos_1_1proton,478.0747406359998,DUBCCGAQYVUYEU,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Clematis rehderiana,289952.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis rehderiana'],8,3,9.5 64873,2374,290,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.25010058,ISDB,QBXRXORKIXERDE-JJPYBHRJSA-N,"InChI=1S/C42H46O25/c43-11-23-28(52)32(56)35(59)40(62-23)60-16-9-21(50)27-22(10-16)61-36(15-3-5-18(47)20(49)8-15)37(31(27)55)66-42-39(34(58)30(54)25(13-45)64-42)67-41-38(33(57)29(53)24(12-44)63-41)65-26(51)6-2-14-1-4-17(46)19(48)7-14/h1-10,23-25,28-30,32-35,38-50,52-54,56-59H,11-13H2/b6-2+/t23-,24+,25+,28+,29+,30+,32-,33-,34-,35+,38-,39-,40+,41-,42-/m0/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1[C@H](O[C@@H]2[C@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O[C@@H]5O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc(O)c4c3=O)O[C@H](CO)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O,C42H46O25,,950.232816972,QBXRXORKIXERDE,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus biternatus,692884.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus biternatus'],6,3,8.500402331352234 64874,2374,290,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.25010058,ISDB,QBXRXORKIXERDE-JJPYBHRJSA-N,"InChI=1S/C42H46O25/c43-11-23-28(52)32(56)35(59)40(62-23)60-16-9-21(50)27-22(10-16)61-36(15-3-5-18(47)20(49)8-15)37(31(27)55)66-42-39(34(58)30(54)25(13-45)64-42)67-41-38(33(57)29(53)24(12-44)63-41)65-26(51)6-2-14-1-4-17(46)19(48)7-14/h1-10,23-25,28-30,32-35,38-50,52-54,56-59H,11-13H2/b6-2+/t23-,24+,25+,28+,29+,30+,32-,33-,34-,35+,38-,39-,40+,41-,42-/m0/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1[C@H](O[C@@H]2[C@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O[C@@H]5O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc(O)c4c3=O)O[C@H](CO)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O,C42H46O25,,950.232816972,QBXRXORKIXERDE,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus pseudotrullifolius,456902.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus pseudotrullifolius'],6,3,8.500402331352234 64875,2374,290,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.25010058,ISDB,QBXRXORKIXERDE-JJPYBHRJSA-N,"InChI=1S/C42H46O25/c43-11-23-28(52)32(56)35(59)40(62-23)60-16-9-21(50)27-22(10-16)61-36(15-3-5-18(47)20(49)8-15)37(31(27)55)66-42-39(34(58)30(54)25(13-45)64-42)67-41-38(33(57)29(53)24(12-44)63-41)65-26(51)6-2-14-1-4-17(46)19(48)7-14/h1-10,23-25,28-30,32-35,38-50,52-54,56-59H,11-13H2/b6-2+/t23-,24+,25+,28+,29+,30+,32-,33-,34-,35+,38-,39-,40+,41-,42-/m0/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1[C@H](O[C@@H]2[C@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O[C@@H]5O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc(O)c4c3=O)O[C@H](CO)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O,C42H46O25,,950.232816972,QBXRXORKIXERDE,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus moseleyi,6132641.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus moseleyi'],6,3,8.500402331352234 64876,2374,290,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.25010058,ISDB,QBXRXORKIXERDE-QLYLRAMCSA-N,"InChI=1S/C42H46O25/c43-11-23-28(52)32(56)35(59)40(62-23)60-16-9-21(50)27-22(10-16)61-36(15-3-5-18(47)20(49)8-15)37(31(27)55)66-42-39(34(58)30(54)25(13-45)64-42)67-41-38(33(57)29(53)24(12-44)63-41)65-26(51)6-2-14-1-4-17(46)19(48)7-14/h1-10,23-25,28-30,32-35,38-50,52-54,56-59H,11-13H2/b6-2+/t23-,24-,25-,28-,29-,30-,32+,33+,34+,35-,38-,39-,40-,41+,42+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O[C@H]2[C@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc(O)c4c3=O)O[C@H](CO)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O,C42H46O25,,950.232816972,QBXRXORKIXERDE,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus peltatus,816424.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus peltatus'],6,3,8.500402331352234 64855,2373,595,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.48378187,ISDB,OFQWLDJQLTUOPM-SEZQLBJOSA-N,"InChI=1S/C41H44O24/c42-11-24-29(52)32(55)34(57)39(61-24)59-16-9-21(48)27-23(10-16)60-35(15-3-5-18(45)20(47)8-15)36(31(27)54)64-41-38(33(56)30(53)25(12-43)62-41)65-40-37(28(51)22(49)13-58-40)63-26(50)6-2-14-1-4-17(44)19(46)7-14/h1-10,22,24-25,28-30,32-34,37-49,51-53,55-57H,11-13H2/b6-2+/t22-,24-,25-,28-,29+,30+,32-,33-,34+,37+,38+,39+,40+,41-/m0/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@@H](O[C@H]2[C@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O[C@@H]5O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc(O)c4c3=O)O[C@@H](CO)[C@@H](O)[C@@H]2O)OC[C@H](O)[C@@H]1O,C41H44O24,,920.222252288,OFQWLDJQLTUOPM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus biternatus,692884.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus biternatus'],6,3,9.43512749671936 64856,2373,595,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.48378187,ISDB,OFQWLDJQLTUOPM-SEZQLBJOSA-N,"InChI=1S/C41H44O24/c42-11-24-29(52)32(55)34(57)39(61-24)59-16-9-21(48)27-23(10-16)60-35(15-3-5-18(45)20(47)8-15)36(31(27)54)64-41-38(33(56)30(53)25(12-43)62-41)65-40-37(28(51)22(49)13-58-40)63-26(50)6-2-14-1-4-17(44)19(46)7-14/h1-10,22,24-25,28-30,32-34,37-49,51-53,55-57H,11-13H2/b6-2+/t22-,24-,25-,28-,29+,30+,32-,33-,34+,37+,38+,39+,40+,41-/m0/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@@H](O[C@H]2[C@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O[C@@H]5O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc(O)c4c3=O)O[C@@H](CO)[C@@H](O)[C@@H]2O)OC[C@H](O)[C@@H]1O,C41H44O24,,920.222252288,OFQWLDJQLTUOPM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus pseudotrullifolius,456902.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus pseudotrullifolius'],6,3,9.43512749671936 64857,2373,595,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.48378187,ISDB,OFQWLDJQLTUOPM-SEZQLBJOSA-N,"InChI=1S/C41H44O24/c42-11-24-29(52)32(55)34(57)39(61-24)59-16-9-21(48)27-23(10-16)60-35(15-3-5-18(45)20(47)8-15)36(31(27)54)64-41-38(33(56)30(53)25(12-43)62-41)65-40-37(28(51)22(49)13-58-40)63-26(50)6-2-14-1-4-17(44)19(46)7-14/h1-10,22,24-25,28-30,32-34,37-49,51-53,55-57H,11-13H2/b6-2+/t22-,24-,25-,28-,29+,30+,32-,33-,34+,37+,38+,39+,40+,41-/m0/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@@H](O[C@H]2[C@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O[C@@H]5O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc(O)c4c3=O)O[C@@H](CO)[C@@H](O)[C@@H]2O)OC[C@H](O)[C@@H]1O,C41H44O24,,920.222252288,OFQWLDJQLTUOPM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus moseleyi,6132641.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus moseleyi'],6,3,9.43512749671936 64858,2373,595,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.48378187,ISDB,OFQWLDJQLTUOPM-VTFVVPIRSA-N,"InChI=1S/C41H44O24/c42-11-24-29(52)32(55)34(57)39(61-24)59-16-9-21(48)27-23(10-16)60-35(15-3-5-18(45)20(47)8-15)36(31(27)54)64-41-38(33(56)30(53)25(12-43)62-41)65-40-37(28(51)22(49)13-58-40)63-26(50)6-2-14-1-4-17(44)19(46)7-14/h1-10,22,24-25,28-30,32-34,37-49,51-53,55-57H,11-13H2/b6-2+/t22-,24-,25+,28+,29-,30-,32-,33+,34+,37-,38+,39+,40-,41+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@@H](O[C@@H]2[C@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O[C@H]5O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]5O)cc(O)c4c3=O)O[C@@H](CO)[C@@H](O)[C@@H]2O)OC[C@@H](O)[C@@H]1O,C41H44O24,,920.2222522880004,OFQWLDJQLTUOPM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Helleborus viridis,948053.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Helleboreae'],['Helleborus'],['Helleborus viridis'],6,3,9.43512749671936 64859,2373,595,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.48378187,ISDB,OFQWLDJQLTUOPM-FLQGFQTKSA-N,"InChI=1S/C41H44O24/c42-11-24-29(52)32(55)34(57)39(61-24)59-16-9-21(48)27-23(10-16)60-35(15-3-5-18(45)20(47)8-15)36(31(27)54)64-41-38(33(56)30(53)25(12-43)62-41)65-40-37(28(51)22(49)13-58-40)63-26(50)6-2-14-1-4-17(44)19(46)7-14/h1-10,22,24-25,28-30,32-34,37-49,51-53,55-57H,11-13H2/b6-2+/t22-,24+,25+,28-,29+,30-,32-,33-,34+,37+,38+,39+,40-,41-/m0/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O[C@H]2[C@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc(O)c4c3=O)O[C@H](CO)[C@H](O)[C@@H]2O)OC[C@H](O)[C@@H]1O,C41H44O24,,920.2222522880004,OFQWLDJQLTUOPM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus chinensis,162150.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus chinensis'],6,3,9.43512749671936 64860,2373,595,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.48378187,ISDB,OFQWLDJQLTUOPM-FLQGFQTKSA-N,"InChI=1S/C41H44O24/c42-11-24-29(52)32(55)34(57)39(61-24)59-16-9-21(48)27-23(10-16)60-35(15-3-5-18(45)20(47)8-15)36(31(27)54)64-41-38(33(56)30(53)25(12-43)62-41)65-40-37(28(51)22(49)13-58-40)63-26(50)6-2-14-1-4-17(44)19(46)7-14/h1-10,22,24-25,28-30,32-34,37-49,51-53,55-57H,11-13H2/b6-2+/t22-,24+,25+,28-,29+,30-,32-,33-,34+,37+,38+,39+,40-,41-/m0/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O[C@H]2[C@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc(O)c4c3=O)O[C@H](CO)[C@H](O)[C@@H]2O)OC[C@H](O)[C@@H]1O,C41H44O24,,920.2222522880004,OFQWLDJQLTUOPM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus cantoniensis,118756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus cantoniensis'],6,3,9.43512749671936 64841,2371,-1,,,,0.44507796,ISDB,NWOCYFGKUMMLPD-IIYHAVRMSA-N,"InChI=1S/C36H36O20/c37-11-22-26(46)29(49)33(54-24(45)6-2-13-1-4-16(40)18(42)7-13)35(52-22)56-34-30(50)27(47)23(12-38)53-36(34)55-32-28(48)25-20(44)9-15(39)10-21(25)51-31(32)14-3-5-17(41)19(43)8-14/h1-10,22-23,26-27,29-30,33-44,46-47,49-50H,11-12H2/b6-2+/t22-,23-,26+,27+,29+,30-,33-,34+,35-,36-/m0/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1[C@H](O[C@H]2[C@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)O[C@@H](CO)[C@@H](O)[C@@H]2O)O[C@@H](CO)[C@@H](O)[C@H]1O,C36H36O20,,788.179993552,NWOCYFGKUMMLPD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus,387812.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Unknown'],6,0,7.780311822891235 64842,2371,-1,,,,0.44507796,ISDB,NWOCYFGKUMMLPD-ZJNIXLGPSA-N,"InChI=1S/C36H36O20/c37-11-22-26(46)29(49)33(54-24(45)6-2-13-1-4-16(40)18(42)7-13)35(52-22)56-34-30(50)27(47)23(12-38)53-36(34)55-32-28(48)25-20(44)9-15(39)10-21(25)51-31(32)14-3-5-17(41)19(43)8-14/h1-10,22-23,26-27,29-30,33-44,46-47,49-50H,11-12H2/b6-2+/t22-,23-,26-,27-,29+,30+,33-,34-,35+,36+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O[C@H]2[C@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)O[C@H](CO)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O,C36H36O20,,788.179993552,NWOCYFGKUMMLPD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus peltatus,816424.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus peltatus'],6,0,7.780311822891235 64840,2370,409,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,QRERZFJPBDZLNU-UHFFFAOYSA-N,"InChI=1S/C38H42N2O5/c1-39-14-12-25-19-27-20-30-37-26(21-36(43-4)38(30)44-5)13-15-40(2)32(37)17-24-8-11-33(41)35(18-24)45-28-9-6-23(7-10-28)16-31(39)29(25)22-34(27)42-3/h6-11,18-19,21-22,31-32,41H,12-17,20H2,1-5H3",COc1cc2c3cc1Cc1c(OC)c(OC)cc4c1C(Cc1ccc(O)c(c1)Oc1ccc(cc1)CC2N(C)CC3)N(C)CC4,C38H42N2O5,pos_2_2sodium,606.309372444,QRERZFJPBDZLNU,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Thalictrum minus,491705.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum minus'],6,3,7.5 64834,2369,-1,,,,0.0,MS1_match,GZCGUPFRVQAUEE-SLPGGIOYSA-N,"InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5+,6+/m0/s1",O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,C6H12O6,pos_1_1potassium,180.063388104,GZCGUPFRVQAUEE,Carbohydrates,Saccharides,Monosaccharides,Thalictrum aquilegiifolium,815364.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum aquilegiifolium'],6,0,6.0 64835,2369,-1,,,,0.0,MS1_match,GZCGUPFRVQAUEE-SLPGGIOYSA-N,"InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5+,6+/m0/s1",O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,C6H12O6,pos_1_1potassium,180.063388104,GZCGUPFRVQAUEE,Carbohydrates,Saccharides,Monosaccharides,Thalictrum aquilegifolium,815364.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum aquilegiifolium'],6,0,6.0 64836,2369,-1,,,,0.0,MS1_match,WQZGKKKJIJFFOK-GASJEMHNSA-N,"InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6?/m1/s1",OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,C6H12O6,pos_1_1potassium,180.063388104,WQZGKKKJIJFFOK,Carbohydrates,Saccharides,Disaccharides,Thalictrum aquilegiifolium,815364.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum aquilegiifolium'],6,0,6.0 64837,2369,-1,,,,0.0,MS1_match,WQZGKKKJIJFFOK-GASJEMHNSA-N,"InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6?/m1/s1",OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,C6H12O6,pos_1_1potassium,180.063388104,WQZGKKKJIJFFOK,Carbohydrates,Saccharides,Disaccharides,Thalictrum aquilegifolium,815364.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum aquilegiifolium'],6,0,6.0 64838,2369,-1,,,,0.0,MS1_match,CDAISMWEOUEBRE-UHFFFAOYSA-N,InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H,OC1C(O)C(O)C(O)C(O)C1O,C6H12O6,pos_1_1potassium,180.063388104,CDAISMWEOUEBRE,Carbohydrates,Polyols,Cyclitols,Aconitum japonicum,5511352.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum japonicum'],6,0,6.0 64839,2369,-1,,,,0.0,MS1_match,GLMCNOVFVQRZNZ-RDTXWAMCSA-N,"InChI=1S/C18H16O10/c19-11-4-2-10(3-5-11)16(24)28-14(15(22)23)18(27,17(25)26)8-9-1-6-12(20)13(21)7-9/h1-7,14,19-21,27H,8H2,(H,22,23)(H,25,26)/t14-,18-/m1/s1",O=C(O[C@H](C(=O)O)[C@](O)(Cc1ccc(O)c(O)c1)C(=O)O)c1ccc(O)cc1,C18H16O10,pos_2_2sodium,392.0743467119999,GLMCNOVFVQRZNZ,Shikimates and Phenylpropanoids,,,Actaea dahurica,462227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea dahurica'],6,0,6.0 64780,2366,15,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,0.7176119,ISDB,BXBVPYSHEOQGHP-UHFFFAOYSA-N,"InChI=1S/C17H26O4/c1-13(2)7-5-4-6-8-17(19)21-12-14-9-10-15(18)16(11-14)20-3/h9-11,13,18H,4-8,12H2,1-3H3",COc1cc(COC(=O)CCCCCC(C)C)ccc1O,C17H26O4,,294.183109312,BXBVPYSHEOQGHP,Alkaloids,Pseudoalkaloids,Capsaicins and Capsaicinoids,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],4,0,6.870447635650635 64759,2364,520,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.3497167,ISDB,NWDBBLFNNILKKJ-MXMFLMJRSA-N,"InChI=1S/C11H18O3/c1-5-11(3,13)8-6-7-9(2)10(12)14-4/h5,7,13H,1,6,8H2,2-4H3/b9-7+/t11-/m1/s1",C=C[C@@](C)(O)CC/C=C(\C)C(=O)OC,C11H18O3,,198.125594436,NWDBBLFNNILKKJ,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Piper aduncum,110421.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper aduncum'],4,2,6.398866772651672 64756,2363,72,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.33929983,ISDB,YQZPQSWEHQDLFL-ZACQAIPSSA-N,"InChI=1S/C18H37NO4/c1-2-3-4-9-12-15(20)13-10-7-5-6-8-11-14-16(21)17(19)18(22)23/h15-17,20-21H,2-14,19H2,1H3,(H,22,23)/t15-,16-,17+/m1/s1",CCCCCC[C@@H](O)CCCCCCCC[C@@H](O)[C@H](N)C(=O)O,C18H37NO4,,331.272258664,YQZPQSWEHQDLFL,Fatty acids,Fatty Acids and Conjugates,,Simplicillium minatense,411367.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Hypocreales'],['Cordycipitaceae'],['Unknown'],['Simplicillium'],['Simplicillium minatense'],1,1,2.8571993112564087 64636,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_2_1proton1sodium,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana edulis,646604.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana edulis'],6,2,7.0 64637,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_2_1proton1sodium,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana grossheimii,6061646.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana grossheimii'],6,2,7.0 64638,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_2_1proton1sodium,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana wolgensis,5746446.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana wolgensis'],6,2,7.0 64639,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_2_1proton1sodium,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana capensis,135852.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana capensis'],6,2,7.0 64640,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_2_1proton1sodium,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana glechomifolia,6061640.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana glechomifolia'],6,2,7.0 64641,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_2_1proton1sodium,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana chionophila,6061606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana chionophila'],6,2,7.0 64642,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_2_1proton1sodium,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana fedtschenkoi,139316.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana longiflora'],6,2,7.0 64643,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_2_1proton1sodium,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana pulvinata,7625148.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana pulvinata'],6,2,7.0 64644,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_2_1proton1sodium,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana dageletiana,7625130.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana dageletiana'],6,2,7.0 64645,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_2_1proton1sodium,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana officinalis var. latifolia,430697.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,2,7.0 64646,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,BDIAUFOIMFAIPU-GUGJDKNPSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20-,21+,22+/m0/s1",CC(=O)OCC1=CO[C@H](OC(=O)CC(C)C)[C@@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_2_1proton1sodium,422.19406792,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana microphylla,21453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana microphylla'],6,2,7.0 64647,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_2_1proton1sodium,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana sitchensis,21459.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana sitchensis'],6,2,7.0 64648,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_2_1proton1sodium,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plectritis macrocera,945858.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Plectritis'],['Plectritis macrocera'],6,2,7.0 64649,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_2_1proton1sodium,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana altaica,6061579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana altaica'],6,2,7.0 64650,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_2_1proton1sodium,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plectritis congesta,830567.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Plectritis'],['Plectritis congesta'],6,2,7.0 64651,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_2_1proton1sodium,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Centranthus macrosiphon,231861.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Centranthus'],['Centranthus macrosiphon'],6,2,7.0 64652,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_2_1proton1sodium,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Centranthus ruber,759056.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Centranthus'],['Centranthus ruber'],6,2,7.0 64653,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_2_1proton1sodium,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valerianella dentata,476255.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valerianella'],['Valerianella dentata'],6,2,7.0 64654,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_2_1proton1sodium,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Fedia cornucopiae,945863.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Fedia'],['Fedia cornucopiae'],6,2,7.0 64655,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_2_1proton1sodium,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valerianella coronata,445620.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valerianella'],['Valerianella coronata'],6,2,7.0 64656,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_2_1proton1sodium,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,2,7.0 64657,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_2_1proton1sodium,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana sambucifolia,746279.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana sambucifolia'],6,2,7.0 64658,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_2_1proton1sodium,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valerianella locusta,459098.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valerianella'],['Valerianella locusta'],6,2,7.0 64659,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,BDIAUFOIMFAIPU-UHFFFAOYSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3",CC(=O)OCC1=COC(OC(=O)CC(C)C)C2C1=CC(OC(=O)CC(C)C)C21CO1,C22H30O8,pos_2_1proton1sodium,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana sorbifolia,445623.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana sorbifolia'],6,2,7.0 64660,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,BDIAUFOIMFAIPU-UHFFFAOYSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3",CC(=O)OCC1=COC(OC(=O)CC(C)C)C2C1=CC(OC(=O)CC(C)C)C21CO1,C22H30O8,pos_2_1proton1sodium,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Centranthus,759046.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Centranthus'],['Unknown'],6,2,7.0 64661,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_2_1proton1sodium,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana pulchella,5746422.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana pulchella'],6,2,7.0 64662,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_2_1proton1sodium,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana prionophylla,526653.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana prionophylla'],6,2,7.0 64663,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_2_1proton1sodium,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana pseudofficinalis,245963.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana pseudofficinalis'],6,2,7.0 64664,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_2_1proton1sodium,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana condamoana,6061611.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana condamoana'],6,2,7.0 64665,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_2_1proton1sodium,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana tuberosa,981574.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana tuberosa'],6,2,7.0 64666,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_2_1proton1sodium,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana alpestris,5746412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana alpestris'],6,2,7.0 64667,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,XLACUABANMZLCJ-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)O[C@H]1C=C2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H30O8,pos_2_1proton1sodium,422.1940679199999,XLACUABANMZLCJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana capensis,135852.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana capensis'],6,2,7.0 64668,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,XLACUABANMZLCJ-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)O[C@H]1C=C2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H30O8,pos_2_1proton1sodium,422.1940679199999,XLACUABANMZLCJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana pulvinata,7625148.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana pulvinata'],6,2,7.0 64669,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,XLACUABANMZLCJ-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)O[C@H]1C=C2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H30O8,pos_2_1proton1sodium,422.1940679199999,XLACUABANMZLCJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana microphylla,21453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana microphylla'],6,2,7.0 64670,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,XLACUABANMZLCJ-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)O[C@H]1C=C2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H30O8,pos_2_1proton1sodium,422.1940679199999,XLACUABANMZLCJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana sitchensis,21459.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana sitchensis'],6,2,7.0 64671,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,XLACUABANMZLCJ-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)O[C@H]1C=C2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H30O8,pos_2_1proton1sodium,422.1940679199999,XLACUABANMZLCJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plectritis macrocera,945858.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Plectritis'],['Plectritis macrocera'],6,2,7.0 64672,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,XLACUABANMZLCJ-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)O[C@H]1C=C2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H30O8,pos_2_1proton1sodium,422.1940679199999,XLACUABANMZLCJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plectritis congesta,830567.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Plectritis'],['Plectritis congesta'],6,2,7.0 64673,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,XLACUABANMZLCJ-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)O[C@H]1C=C2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H30O8,pos_2_1proton1sodium,422.1940679199999,XLACUABANMZLCJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Centranthus macrosiphon,231861.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Centranthus'],['Centranthus macrosiphon'],6,2,7.0 64674,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,XLACUABANMZLCJ-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)O[C@H]1C=C2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H30O8,pos_2_1proton1sodium,422.1940679199999,XLACUABANMZLCJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Centranthus ruber,759056.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Centranthus'],['Centranthus ruber'],6,2,7.0 64675,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,XLACUABANMZLCJ-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)O[C@H]1C=C2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H30O8,pos_2_1proton1sodium,422.1940679199999,XLACUABANMZLCJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valerianella dentata,476255.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valerianella'],['Valerianella dentata'],6,2,7.0 64676,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,XLACUABANMZLCJ-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)O[C@H]1C=C2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H30O8,pos_2_1proton1sodium,422.1940679199999,XLACUABANMZLCJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valerianella coronata,445620.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valerianella'],['Valerianella coronata'],6,2,7.0 64677,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,XLACUABANMZLCJ-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)O[C@H]1C=C2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H30O8,pos_2_1proton1sodium,422.1940679199999,XLACUABANMZLCJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Fedia cornucopiae,945863.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Fedia'],['Fedia cornucopiae'],6,2,7.0 64678,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,XLACUABANMZLCJ-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)O[C@H]1C=C2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H30O8,pos_2_1proton1sodium,422.1940679199999,XLACUABANMZLCJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana sambucifolia,746279.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana sambucifolia'],6,2,7.0 64679,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_2_1proton1sodium,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana colchica,6061608.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana colchica'],6,2,7.0 64680,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,XLACUABANMZLCJ-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)O[C@H]1C=C2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H30O8,pos_2_1proton1sodium,422.1940679199999,XLACUABANMZLCJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valerianella locusta,459098.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valerianella'],['Valerianella locusta'],6,2,7.0 64681,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,XLACUABANMZLCJ-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)O[C@H]1C=C2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H30O8,pos_2_1proton1sodium,422.1940679199999,XLACUABANMZLCJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana micropterina,6061682.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana micropterina'],6,2,7.0 64682,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,XLACUABANMZLCJ-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)O[C@H]1C=C2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H30O8,pos_2_1proton1sodium,422.1940679199999,XLACUABANMZLCJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana eriophylla,6061633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana eriophylla'],6,2,7.0 64683,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,XLACUABANMZLCJ-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)O[C@H]1C=C2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H30O8,pos_2_1proton1sodium,422.1940679199999,XLACUABANMZLCJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana pulchella,5746422.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana pulchella'],6,2,7.0 64684,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,XLACUABANMZLCJ-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)O[C@H]1C=C2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H30O8,pos_2_1proton1sodium,422.1940679199999,XLACUABANMZLCJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana prionophylla,526653.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana prionophylla'],6,2,7.0 64685,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,XLACUABANMZLCJ-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)O[C@H]1C=C2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H30O8,pos_2_1proton1sodium,422.1940679199999,XLACUABANMZLCJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana condamoana,6061611.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana condamoana'],6,2,7.0 64686,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,XLACUABANMZLCJ-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)O[C@H]1C=C2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H30O8,pos_2_1proton1sodium,422.1940679199999,XLACUABANMZLCJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana edulis,646604.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana edulis'],6,2,7.0 64687,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,XLACUABANMZLCJ-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)O[C@H]1C=C2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H30O8,pos_2_1proton1sodium,422.1940679199999,XLACUABANMZLCJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,2,7.0 64688,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_2_1proton1sodium,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana,393345.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Unknown'],6,2,7.0 64689,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,BDIAUFOIMFAIPU-UHFFFAOYSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3",CC(=O)OCC1=COC(OC(=O)CC(C)C)C2C1=CC(OC(=O)CC(C)C)C21CO1,C22H30O8,pos_2_1proton1sodium,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana alliariifolia,5746411.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana alliariifolia'],6,2,7.0 64690,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_2_1proton1sodium,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana tripteris,445625.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana tripteris'],6,2,7.0 64691,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_2_1proton1sodium,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana stolonifera,5746447.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana stolonifera'],6,2,7.0 64692,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_2_1proton1sodium,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana capitata,746281.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana capitata'],6,2,7.0 64693,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,XLACUABANMZLCJ-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)O[C@H]1C=C2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H30O8,pos_2_1proton1sodium,422.1940679199999,XLACUABANMZLCJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,2,7.0 64694,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_2_1proton1sodium,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana micropterina,6061682.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana micropterina'],6,2,7.0 64695,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,XLACUABANMZLCJ-UHFFFAOYSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3",CC(=O)OC1C=C2C(COC(=O)CC(C)C)=COC(OC(=O)CC(C)C)C2C12CO2,C22H30O8,pos_2_1proton1sodium,422.1940679199999,XLACUABANMZLCJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana,393345.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Unknown'],6,2,7.0 64696,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_2_1proton1sodium,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,2,7.0 64697,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_2_1proton1sodium,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana pseudofficinalis,245963.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana pseudofficinalis'],6,2,7.0 64698,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_2_1proton1sodium,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Centranthus macrosiphon,231861.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Centranthus'],['Centranthus macrosiphon'],6,2,7.0 64699,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_2_1proton1sodium,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Centranthus ruber,759056.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Centranthus'],['Centranthus ruber'],6,2,7.0 64700,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,XLACUABANMZLCJ-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)O[C@H]1C=C2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H30O8,pos_2_1proton1sodium,422.1940679199999,XLACUABANMZLCJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana sorbifolia,445623.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana sorbifolia'],6,2,7.0 64701,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_2_1proton1sodium,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Fedia cornucopiae,945863.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Fedia'],['Fedia cornucopiae'],6,2,7.0 64702,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_2_1proton1sodium,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valerianella coronata,445620.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valerianella'],['Valerianella coronata'],6,2,7.0 64703,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_2_1proton1sodium,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,2,7.0 64704,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_2_1proton1sodium,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana sambucifolia,746279.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana sambucifolia'],6,2,7.0 64705,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_2_1proton1sodium,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valerianella locusta,459098.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valerianella'],['Valerianella locusta'],6,2,7.0 64706,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_2_1proton1sodium,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plectritis congesta,830567.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Plectritis'],['Plectritis congesta'],6,2,7.0 64707,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,BDIAUFOIMFAIPU-UHFFFAOYSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3",CC(=O)OCC1=COC(OC(=O)CC(C)C)C2C1=CC(OC(=O)CC(C)C)C21CO1,C22H30O8,pos_2_1proton1sodium,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana sorbifolia,445623.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana sorbifolia'],6,2,7.0 64708,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_2_1proton1sodium,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana pulchella,5746422.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana pulchella'],6,2,7.0 64709,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_2_1proton1sodium,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana prionophylla,526653.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana prionophylla'],6,2,7.0 64710,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_2_1proton1sodium,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana condamoana,6061611.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana condamoana'],6,2,7.0 64711,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_2_1proton1sodium,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana micropterina,6061682.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana micropterina'],6,2,7.0 64712,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_2_1proton1sodium,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana edulis,646604.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana edulis'],6,2,7.0 64713,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_2_1proton1sodium,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,2,7.0 64714,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_2_1proton1sodium,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana cardamines,6061598.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana cardamines'],6,2,7.0 64715,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_2_1proton1sodium,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana eriophylla,6061633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana eriophylla'],6,2,7.0 64716,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_2_1proton1sodium,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana rossica,6061718.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana rossica'],6,2,7.0 64717,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,BDIAUFOIMFAIPU-UHFFFAOYSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3",CC(=O)OCC1=COC(OC(=O)CC(C)C)C2C1=CC(OC(=O)CC(C)C)C21CO1,C22H30O8,pos_2_1proton1sodium,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Centranthus,759046.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Centranthus'],['Unknown'],6,2,7.0 64718,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_2_1proton1sodium,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plectritis macrocera,945858.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Plectritis'],['Plectritis macrocera'],6,2,7.0 64719,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_2_1proton1sodium,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valerianella dentata,476255.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valerianella'],['Valerianella dentata'],6,2,7.0 64720,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,BDIAUFOIMFAIPU-GUGJDKNPSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20-,21+,22+/m0/s1",CC(=O)OCC1=CO[C@H](OC(=O)CC(C)C)[C@@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_2_1proton1sodium,422.19406792,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana microphylla,21453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana microphylla'],6,2,7.0 64721,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_2_1proton1sodium,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana cardamines,6061598.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana cardamines'],6,2,7.0 64722,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_2_1proton1sodium,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana eriophylla,6061633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana eriophylla'],6,2,7.0 64723,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_2_1proton1sodium,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana rossica,6061718.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana rossica'],6,2,7.0 64724,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_2_1proton1sodium,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana,393345.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Unknown'],6,2,7.0 64725,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_2_1proton1sodium,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana sitchensis,21459.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana sitchensis'],6,2,7.0 64726,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_2_1proton1sodium,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana tripteris,445625.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana tripteris'],6,2,7.0 64727,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_2_1proton1sodium,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana stolonifera,5746447.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana stolonifera'],6,2,7.0 64728,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_2_1proton1sodium,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana capitata,746281.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana capitata'],6,2,7.0 64729,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_2_1proton1sodium,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana alpestris,5746412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana alpestris'],6,2,7.0 64730,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_2_1proton1sodium,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana colchica,6061608.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana colchica'],6,2,7.0 64731,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,BDIAUFOIMFAIPU-UHFFFAOYSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3",CC(=O)OCC1=COC(OC(=O)CC(C)C)C2C1=CC(OC(=O)CC(C)C)C21CO1,C22H30O8,pos_2_1proton1sodium,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana alliariifolia,5746411.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana alliariifolia'],6,2,7.0 64732,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_2_1proton1sodium,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana altaica,6061579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana altaica'],6,2,7.0 64733,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_2_1proton1sodium,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana grossheimii,6061646.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana grossheimii'],6,2,7.0 64734,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_2_1proton1sodium,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana wolgensis,5746446.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana wolgensis'],6,2,7.0 64735,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_2_1proton1sodium,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana capensis,135852.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana capensis'],6,2,7.0 64736,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_2_1proton1sodium,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana glechomifolia,6061640.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana glechomifolia'],6,2,7.0 64737,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_2_1proton1sodium,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana chionophila,6061606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana chionophila'],6,2,7.0 64738,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_2_1proton1sodium,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana fedtschenkoi,139316.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana longiflora'],6,2,7.0 64739,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_2_1proton1sodium,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana pulvinata,7625148.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana pulvinata'],6,2,7.0 64740,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_2_1proton1sodium,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana dageletiana,7625130.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana dageletiana'],6,2,7.0 64741,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_2_1proton1sodium,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana officinalis var. latifolia,430697.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,2,7.0 64742,2362,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,BDIAUFOIMFAIPU-KVJIRVJXSA-N,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H30O8,pos_2_1proton1sodium,422.1940679199999,BDIAUFOIMFAIPU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana tuberosa,981574.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana tuberosa'],6,2,7.0 64628,2360,-1,,,,0.0,MS1_match,JOZKFWLRHCDGJA-LLVKDONJSA-N,"InChI=1S/C12H22O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,11H,5,7-9H2,1-4H3/t11-/m1/s1",CC(=O)OCC[C@H](C)CCC=C(C)C,C12H22O2,pos_2MH,198.161979944,JOZKFWLRHCDGJA,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 64622,2358,-1,,,,0.0,MS1_match,FBUKVWPVBMHYJY-UHFFFAOYSA-N,"InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)",CCCCCCCCC(=O)O,C9H18O2,pos_2MNa,158.130679816,FBUKVWPVBMHYJY,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Staphisagria macrosperma,969162.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Staphisagria'],['Staphisagria macrosperma'],6,0,6.0 64623,2358,-1,,,,0.0,MS1_match,FBUKVWPVBMHYJY-UHFFFAOYSA-N,"InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)",CCCCCCCCC(=O)O,C9H18O2,pos_2MNa,158.130679816,FBUKVWPVBMHYJY,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Delphinium staphisagria,969162.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Staphisagria'],['Staphisagria macrosperma'],6,0,6.0 64624,2358,-1,,,,0.0,MS1_match,FBUKVWPVBMHYJY-UHFFFAOYSA-N,"InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)",CCCCCCCCC(=O)O,C9H18O2,pos_2MNa,158.130679816,FBUKVWPVBMHYJY,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Actaea simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],6,0,6.0 64625,2358,-1,,,,0.0,MS1_match,FBUKVWPVBMHYJY-UHFFFAOYSA-N,"InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)",CCCCCCCCC(=O)O,C9H18O2,pos_2MNa,158.130679816,FBUKVWPVBMHYJY,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Cimicifuga simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],6,0,6.0 64626,2358,-1,,,,0.0,MS1_match,ADNADZOSMJDVIS-UHFFFAOYSA-N,"InChI=1S/C9H18O2/c1-4-5-6-9(10)11-7-8(2)3/h8H,4-7H2,1-3H3",CCCCC(=O)OCC(C)C,C9H18O2,pos_2MNa,158.130679816,ADNADZOSMJDVIS,Fatty acids,Fatty esters,Wax monoesters,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 64627,2358,-1,,,,0.0,MS1_match,OKJADYKTJJGKDX-UHFFFAOYSA-N,"InChI=1S/C9H18O2/c1-3-5-7-9(10)11-8-6-4-2/h3-8H2,1-2H3",CCCCOC(=O)CCCC,C9H18O2,pos_2MNa,158.130679816,OKJADYKTJJGKDX,Fatty acids,Fatty esters,Wax monoesters,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 64608,2354,15,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,0.0,MS1_match,MQNYOYOQPDJLJV-PEXFBTPGSA-N,"InChI=1S/C17H24O3/c1-12(18)20-11-13-5-4-6-14(19)8-10-16-15(9-7-13)17(16,2)3/h5,8,10,15-16H,4,6-7,9,11H2,1-3H3/b10-8-,13-5+/t15-,16+/m1/s1",CC(=O)OC/C1=C/CCC(=O)/C=C\[C@H]2[C@@H](CC1)C2(C)C,C17H24O3,pos_1_1proton1methanol,276.172544628,MQNYOYOQPDJLJV,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,3,7.5 64609,2354,15,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,0.0,MS1_match,MQNYOYOQPDJLJV-PEXFBTPGSA-N,"InChI=1S/C17H24O3/c1-12(18)20-11-13-5-4-6-14(19)8-10-16-15(9-7-13)17(16,2)3/h5,8,10,15-16H,4,6-7,9,11H2,1-3H3/b10-8-,13-5+/t15-,16+/m1/s1",CC(=O)OC/C1=C/CCC(=O)/C=C\[C@H]2[C@@H](CC1)C2(C)C,C17H24O3,pos_1_1proton1methanol,276.172544628,MQNYOYOQPDJLJV,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,Valeriana fauriei,228778.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana fauriei'],6,3,7.5 64610,2354,15,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,0.0,MS1_match,BESWSXOVDJDSKQ-HUJQHWLQSA-N,"InChI=1S/C17H24O3/c1-11-6-5-7-13(19)8-9-14-16(17(14,3)4)15(10-11)20-12(2)18/h6,8-9,14-16H,5,7,10H2,1-4H3/b9-8-,11-6-/t14-,15+,16-/m0/s1",CC(=O)O[C@@H]1C/C(C)=C\CCC(=O)/C=C\[C@H]2[C@@H]1C2(C)C,C17H24O3,pos_1_1proton1methanol,276.172544628,BESWSXOVDJDSKQ,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,3,7.5 64611,2354,15,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,0.0,MS1_match,BESWSXOVDJDSKQ-HUJQHWLQSA-N,"InChI=1S/C17H24O3/c1-11-6-5-7-13(19)8-9-14-16(17(14,3)4)15(10-11)20-12(2)18/h6,8-9,14-16H,5,7,10H2,1-4H3/b9-8-,11-6-/t14-,15+,16-/m0/s1",CC(=O)O[C@@H]1C/C(C)=C\CCC(=O)/C=C\[C@H]2[C@@H]1C2(C)C,C17H24O3,pos_1_1proton1methanol,276.172544628,BESWSXOVDJDSKQ,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,Valeriana fauriei,228778.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana fauriei'],6,3,7.5 64612,2354,15,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,0.0,MS1_match,VGOHBZXHAWVRBT-UHFFFAOYSA-N,"InChI=1S/C17H24O3/c1-12(19)20-11-13-5-4-6-14(10-18)9-16-15(8-7-13)17(16,2)3/h5,9-10,15-16H,4,6-8,11H2,1-3H3",CC(=O)OCC1=CCCC(C=O)=CC2C(CC1)C2(C)C,C17H24O3,pos_1_1proton1methanol,276.172544628,VGOHBZXHAWVRBT,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,Valeriana dageletiana,7625130.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana dageletiana'],6,3,7.5 64613,2354,15,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,0.0,MS1_match,VGOHBZXHAWVRBT-UHFFFAOYSA-N,"InChI=1S/C17H24O3/c1-12(19)20-11-13-5-4-6-14(10-18)9-16-15(8-7-13)17(16,2)3/h5,9-10,15-16H,4,6-8,11H2,1-3H3",CC(=O)OCC1=CCCC(C=O)=CC2C(CC1)C2(C)C,C17H24O3,pos_1_1proton1methanol,276.172544628,VGOHBZXHAWVRBT,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,3,7.5 64570,2353,-1,,,,0.0,MS1_match,CIDJXBNFIKRPHX-UHFFFAOYSA-N,"InChI=1S/C13H12O3/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,13-16H",Oc1ccc(C(O)c2ccc(O)cc2)cc1,C13H12O3,pos_1_1proton1acetonitrile,216.078644244,CIDJXBNFIKRPHX,Shikimates and Phenylpropanoids,,,Delphinium elatum,518362.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium elatum'],6,0,6.0 64071,2352,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.3397267,ISDB,GUZAIURHRDPBKE-HIEJAJBWSA-N,"InChI=1S/C30H46O3/c1-17(2)18-9-12-22-29(18,7)25(33)16-28(6)19-10-11-21-26(3,4)23(31)13-14-27(21,5)20(19)15-24(32)30(22,28)8/h10,15,17-18,21-23,25,31,33H,9,11-14,16H2,1-8H3/t18-,21+,22-,23-,25-,27-,28-,29-,30-/m1/s1",CC(C)[C@H]1CC[C@@H]2[C@]1(C)[C@H](O)C[C@]1(C)C3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)C3=CC(=O)[C@@]21C,C30H46O3,,454.344695332,GUZAIURHRDPBKE,Terpenoids,Triterpenoids,Fernane and Arborinane triterpenoids,Lonicera gracilipes,920854.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera gracilipes'],7,2,9.358906745910645 63965,2351,58,Polyketides,Glycerolipids,Glycosyldiacylglycerols,0.33244264,ISDB,BZHAVEINVWSUOC-CXUHLZMHSA-N,"InChI=1S/C20H32O4/c1-14(2)7-6-8-16(5)9-10-19(23)11-17(21)12-20(24,13-19)18(22)15(3)4/h7,9,12,15,21,23-24H,6,8,10-11,13H2,1-5H3/b16-9+",CC(C)=CCC/C(C)=C/CC1(O)CC(O)=CC(O)(C(=O)C(C)C)C1,C20H32O4,,336.230059504,BZHAVEINVWSUOC,Polyketides,Meroterpenoids,Polyprenylated cyclic polyketides (Hop meroterpenoids),Esenbeckia nesiotica,6126271.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Esenbeckia'],['Esenbeckia nesiotica'],4,1,5.829770565032959 63560,2345,582,Terpenoids,Diterpenoids,Estrane steroids,0.21918379,ISDB,SXCVPGXYCJAUPB-YLAKUSLOSA-N,"InChI=1S/C20H32O3/c1-13(2)15-7-8-20(6)11-16(9-14(3)17(20)10-15)23-18(21)12-19(4,5)22/h15-17,22H,1,3,7-12H2,2,4-6H3/t15-,16+,17+,20+/m1/s1",C=C(C)[C@@H]1CC[C@@]2(C)C[C@@H](OC(=O)CC(C)(C)O)CC(=C)[C@@H]2C1,C20H32O3,,320.235144884,SXCVPGXYCJAUPB,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Nardostachys jatamansi,24101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Nardostachys'],['Nardostachys jatamansi'],6,1,7.376735150814056 63559,2342,93,Alkaloids,Tryptophan alkaloids,Betalain alkaloids,0.20076652,ISDB,PZXIJQKQPJKPLE-UHFFFAOYSA-N,"InChI=1S/C17H20N2O5/c1-17(22,10-20)7-6-11-4-3-5-13-12(9-18-15(11)13)8-14(19-23)16(21)24-2/h3-7,9,18,20,22-23H,8,10H2,1-2H3",COC(=O)C(Cc1c[nH]c2c(C=CC(C)(O)CO)cccc12)=NO,C17H20N2O5,,332.13722174,PZXIJQKQPJKPLE,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Conoideocrella luteorostrata,505968.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Hypocreales'],['Clavicipitaceae'],['Unknown'],['Conoideocrella'],['Conoideocrella luteorostrata'],1,2,2.803066074848175 63558,2339,7,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.0,MS1_match,ATBOMIWRCZXYSZ-XZBBILGWSA-N,"InChI=1S/C40H75O10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13,17-18,37-38,41-42H,3-10,12,14-16,19-36H2,1-2H3,(H,45,46)/b13-11+,18-17+",CCCCC/C=C/C/C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCC(O)CO,C40H75O10P,pos_2_1proton1potassium,746.50978523,ATBOMIWRCZXYSZ,Fatty acids,Glycerophospholipids,Glycerophosphoglycerols,Ranunculus glacialis,225728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus glacialis'],6,0,6.0 63503,2338,920,Polyketides,Aromatic polyketides,Catechols with side chains,0.45095193,ISDB,BENPXLIQKFYNHW-UHFFFAOYSA-N,"InChI=1S/C27H46O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)20-24-21-26(29)23-27(30)22-24/h21-23,29-30H,2-20H2,1H3",CCCCCCCCCCCCCCCCCCCC(=O)Cc1cc(O)cc(O)c1,C27H46O3,,418.344695332,BENPXLIQKFYNHW,Polyketides,Aromatic polyketides,Catechols with side chains,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],4,3,7.303807735443115 63504,2338,920,Polyketides,Aromatic polyketides,Catechols with side chains,0.45095193,ISDB,BENPXLIQKFYNHW-UHFFFAOYSA-N,"InChI=1S/C27H46O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)20-24-21-26(29)23-27(30)22-24/h21-23,29-30H,2-20H2,1H3",CCCCCCCCCCCCCCCCCCCC(=O)Cc1cc(O)cc(O)c1,C27H46O3,,418.344695332,BENPXLIQKFYNHW,Polyketides,Aromatic polyketides,Catechols with side chains,Secale cereale,553015.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Secale'],['Secale cereale'],4,3,7.303807735443115 63485,2337,-1,,,,0.63353646,ISDB,XSNMUAUBDFNEIO-SECBINFHSA-N,"InChI=1S/C15H16N2O2/c1-9(8-18)14-15-13(12(19-2)7-16-14)10-5-3-4-6-11(10)17-15/h3-7,9,17-18H,8H2,1-2H3/t9-/m1/s1",COc1cnc([C@H](C)CO)c2[nH]c3ccccc3c12,C15H16N2O2,,256.121177752,XSNMUAUBDFNEIO,Alkaloids,Tryptophan alkaloids,Carboline alkaloids,Picrasma quassioides,113667.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Simaroubaceae'],['Unknown'],['Picrasma'],['Picrasma quassioides'],4,0,6.534145832061768 63481,2336,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,YYXXGJKFOHXSML-QEJZJMRPSA-N,"InChI=1S/C15H20O2/c1-13(2)12-8-7-11(16)10-6-5-9-14(3,17-13)15(10,12)4/h6-8,12H,5,9H2,1-4H3/t12-,14-,15-/m0/s1",CC1(C)O[C@@]2(C)CCC=C3C(=O)C=C[C@@H]1[C@]32C,C15H20O2,pos_2MH,232.14632988,YYXXGJKFOHXSML,Terpenoids,Sesquiterpenoids,Nardosinane sesquiterpenoids,Nardostachys jatamansi,24101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Nardostachys'],['Nardostachys jatamansi'],6,0,6.0 63478,2335,-1,,,,0.0,MS1_match,UEULPUBYHGYCFW-LEUGNMFFSA-N,"InChI=1S/C31H38O7/c1-15-13-30(5)21(14-31(6,27(36)38-8)26(35)25(30)34)29(4)10-9-28(3)17-11-20(33)24(37-7)16(2)22(17)19(32)12-18(28)23(15)29/h11-12,21,26,33,35H,9-10,13-14H2,1-8H3/t21-,26-,28-,29-,30+,31-/m0/s1",COC(=O)[C@@]1(C)C[C@@H]2[C@@](C)(CC(C)=C3C4=CC(=O)c5c(cc(O)c(OC)c5C)[C@]4(C)CC[C@]32C)C(=O)[C@@H]1O,C31H38O7,pos_1_sodium,522.261753556,UEULPUBYHGYCFW,Terpenoids,,,Cheiloclinium cognatum,583081.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Cheiloclinium'],['Cheiloclinium cognatum'],6,0,6.0 63479,2335,-1,,,,0.0,MS1_match,KZDFWLSTGYHGFQ-YWTJNYGPSA-N,"InChI=1S/C31H38O7/c1-16-13-31(27(36)38-7)15-23(33)30(5,26(35)37-6)14-22(31)29(4)11-10-28(3)19(24(16)29)9-8-18-17(2)25(34)21(32)12-20(18)28/h8-9,12,22-23,33-34H,10-11,13-15H2,1-7H3/t22-,23-,28+,29-,30-,31+/m0/s1",COC(=O)[C@@]12CC(C)=C3C4=CC=C5C(=CC(=O)C(O)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]1C[C@](C)(C(=O)OC)[C@@H](O)C2,C31H38O7,pos_1_sodium,522.261753556,KZDFWLSTGYHGFQ,Terpenoids,,,Cheiloclinium cognatum,583081.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Cheiloclinium'],['Cheiloclinium cognatum'],6,0,6.0 63480,2335,-1,,,,0.0,MS1_match,KZDFWLSTGYHGFQ-UHFFFAOYSA-N,"InChI=1S/C31H38O7/c1-16-13-31(27(36)38-7)15-23(33)30(5,26(35)37-6)14-22(31)29(4)11-10-28(3)19(24(16)29)9-8-18-17(2)25(34)21(32)12-20(18)28/h8-9,12,22-23,33-34H,10-11,13-15H2,1-7H3",COC(=O)C1(C)CC2C3(C)CCC4(C)C5=CC(=O)C(O)=C(C)C5=CC=C4C3=C(C)CC2(C(=O)OC)CC1O,C31H38O7,pos_1_sodium,522.261753556,KZDFWLSTGYHGFQ,Terpenoids,,,Orthosphenia mexicana,755524.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Orthosphenia'],['Orthosphenia mexicana'],6,0,6.0 63477,2334,1324,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,IUCHKMAZAWJNBJ-RCYXVVTDSA-N,"InChI=1S/C36H56O9/c1-31(2)14-16-36(30(42)43)17-15-34(6)19(20(36)18-31)8-9-22-33(5)12-11-23(32(3,4)21(33)10-13-35(22,34)7)44-29-26(39)24(37)25(38)27(45-29)28(40)41/h8,20-27,29,37-39H,9-18H2,1-7H3,(H,40,41)(H,42,43)/t20-,21-,22+,23-,24-,25-,26+,27-,29+,33-,34+,35+,36-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C36H56O9,pos_1_1proton1isopropanol,632.392433372,IUCHKMAZAWJNBJ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lonicera nigra,179065.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera nigra'],7,3,8.5 63392,2332,-1,,,,0.7888901,ISDB,HBRFKORKLCCQOQ-IDOKYYSUSA-N,"InChI=1S/C18H28O3/c1-11-15(20)13(19)9-14-17(11,3)6-5-12-10-16(2,21)7-8-18(12,14)4/h12,14,20-21H,5-10H2,1-4H3/t12-,14-,16-,17+,18-/m0/s1",CC1=C(O)C(=O)C[C@@H]2[C@@]3(C)CC[C@](C)(O)C[C@@H]3CC[C@]12C,C18H28O3,,292.203844756,HBRFKORKLCCQOQ,Terpenoids,Diterpenoids,Erythroxylane diterpenoids,Ceriops tagal,163833.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Rhizophoraceae'],['Unknown'],['Ceriops'],['Ceriops tagal'],4,0,7.155560493469238 63390,2330,-1,,,,0.0,MS1_match,JOZKFWLRHCDGJA-LLVKDONJSA-N,"InChI=1S/C12H22O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,11H,5,7-9H2,1-4H3/t11-/m1/s1",CC(=O)OCC[C@H](C)CCC=C(C)C,C12H22O2,pos_2MHNH3,198.161979944,JOZKFWLRHCDGJA,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 63381,2328,-1,,,,0.2671267,ISDB,KVHAINOUDBJHJL-VDLPQLTJSA-N,"InChI=1S/C24H48O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-29-18-20(17-25)31-24-23(28)22(27)21(26)19-30-24/h20-28H,2-19H2,1H3/t20-,21-,22-,23+,24+/m1/s1",CCCCCCCCCCCCCCCCOC[C@@H](CO)O[C@@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O,C24H48O7,,448.340003876,KVHAINOUDBJHJL,Fatty acids,Glycerolipids,Monoacylglycerols,Lobophytum crassum,996887.0,['Eukaryota'],['Metazoa'],['Cnidaria'],['Anthozoa'],['Alcyonacea'],['Alcyoniidae'],['Unknown'],['Lobophytum'],['Lobophytum crassum'],1,0,2.0685068368911743 63294,2327,-1,,,,0.0,MS1_match,VGOHBZXHAWVRBT-UHFFFAOYSA-N,"InChI=1S/C17H24O3/c1-12(19)20-11-13-5-4-6-14(10-18)9-16-15(8-7-13)17(16,2)3/h5,9-10,15-16H,4,6-8,11H2,1-3H3",CC(=O)OCC1=CCCC(C=O)=CC2C(CC1)C2(C)C,C17H24O3,pos_1_1proton,276.172544628,VGOHBZXHAWVRBT,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 63295,2327,-1,,,,0.0,MS1_match,BESWSXOVDJDSKQ-HUJQHWLQSA-N,"InChI=1S/C17H24O3/c1-11-6-5-7-13(19)8-9-14-16(17(14,3)4)15(10-11)20-12(2)18/h6,8-9,14-16H,5,7,10H2,1-4H3/b9-8-,11-6-/t14-,15+,16-/m0/s1",CC(=O)O[C@@H]1C/C(C)=C\CCC(=O)/C=C\[C@H]2[C@@H]1C2(C)C,C17H24O3,pos_1_1proton,276.172544628,BESWSXOVDJDSKQ,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,Valeriana fauriei,228778.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana fauriei'],6,0,6.0 63296,2327,-1,,,,0.0,MS1_match,VGOHBZXHAWVRBT-UHFFFAOYSA-N,"InChI=1S/C17H24O3/c1-12(19)20-11-13-5-4-6-14(10-18)9-16-15(8-7-13)17(16,2)3/h5,9-10,15-16H,4,6-8,11H2,1-3H3",CC(=O)OCC1=CCCC(C=O)=CC2C(CC1)C2(C)C,C17H24O3,pos_1_1proton,276.172544628,VGOHBZXHAWVRBT,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,Valeriana dageletiana,7625130.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana dageletiana'],6,0,6.0 63297,2327,-1,,,,0.0,MS1_match,BESWSXOVDJDSKQ-HUJQHWLQSA-N,"InChI=1S/C17H24O3/c1-11-6-5-7-13(19)8-9-14-16(17(14,3)4)15(10-11)20-12(2)18/h6,8-9,14-16H,5,7,10H2,1-4H3/b9-8-,11-6-/t14-,15+,16-/m0/s1",CC(=O)O[C@@H]1C/C(C)=C\CCC(=O)/C=C\[C@H]2[C@@H]1C2(C)C,C17H24O3,pos_1_1proton,276.172544628,BESWSXOVDJDSKQ,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 63298,2327,-1,,,,0.0,MS1_match,MQNYOYOQPDJLJV-PEXFBTPGSA-N,"InChI=1S/C17H24O3/c1-12(18)20-11-13-5-4-6-14(19)8-10-16-15(9-7-13)17(16,2)3/h5,8,10,15-16H,4,6-7,9,11H2,1-3H3/b10-8-,13-5+/t15-,16+/m1/s1",CC(=O)OC/C1=C/CCC(=O)/C=C\[C@H]2[C@@H](CC1)C2(C)C,C17H24O3,pos_1_1proton,276.172544628,MQNYOYOQPDJLJV,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,Valeriana fauriei,228778.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana fauriei'],6,0,6.0 63299,2327,-1,,,,0.0,MS1_match,MQNYOYOQPDJLJV-PEXFBTPGSA-N,"InChI=1S/C17H24O3/c1-12(18)20-11-13-5-4-6-14(19)8-10-16-15(9-7-13)17(16,2)3/h5,8,10,15-16H,4,6-7,9,11H2,1-3H3/b10-8-,13-5+/t15-,16+/m1/s1",CC(=O)OC/C1=C/CCC(=O)/C=C\[C@H]2[C@@H](CC1)C2(C)C,C17H24O3,pos_1_1proton,276.172544628,MQNYOYOQPDJLJV,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 63288,2325,1500,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,LTRLDPJSMLPKMF-YKXWAFRCSA-N,"InChI=1S/C25H40O10/c1-12-9-14(26)10-25(3,4)15(12)6-5-13(2)34-24-23(32)22(31)21(30)18(35-24)11-33-17-8-7-16(27)19(28)20(17)29/h5-6,9,13,15-24,27-32H,7-8,10-11H2,1-4H3/b6-5+/t13-,15+,16+,17-,18-,19+,20+,21-,22+,23-,24-/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@@H](C)O[C@@H]1O[C@H](CO[C@@H]2CC[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C25H40O10,pos_1_1proton1methanol,500.26214748,LTRLDPJSMLPKMF,Terpenoids,Apocarotenoids,Megastigmanes,Lonicera gracilipes,920854.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera gracilipes'],7,3,8.5 63218,2320,-1,,,,0.68574387,ISDB,ZNJFBWYDHIGLCU-HWKXXFMVSA-N,"InChI=1S/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/b4-3-/t9-,10-/m1/s1",CC/C=C\C[C@H]1C(=O)CC[C@@H]1CC(=O)O,C12H18O3,,210.125594436,ZNJFBWYDHIGLCU,Fatty acids,Octadecanoids,Jasmonic acids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,8.74297547340393 63217,2318,582,Terpenoids,Diterpenoids,Estrane steroids,0.0,MS1_match,BNWJOHGLIBDBOB-UHFFFAOYSA-N,"InChI=1S/C11H12O3/c1-3-4-8-5-9(12-2)11-10(6-8)13-7-14-11/h3,5-6H,1,4,7H2,2H3",C=CCc1cc(OC)c2c(c1)OCO2,C11H12O3,pos_1_1proton2acetonitrile,192.078644244,BNWJOHGLIBDBOB,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Nigella sativa,142360.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Nigelleae'],['Nigella'],['Nigella sativa'],6,0,6.0 63083,2315,-1,,,,0.0,MS1_match,GXGBLBFUBDIUOT-KZDFMVMNSA-N,"InChI=1S/C29H48O3/c1-19-20(31)7-8-21-25(19,3)10-9-22-26(21,4)12-13-28(6)23-17-24(2,32)11-15-29(23,18-30)16-14-27(22,28)5/h19,21-23,30,32H,7-18H2,1-6H3/t19-,21+,22-,23-,24+,25+,26-,27+,28-,29+/m0/s1",C[C@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(O)CC[C@]3(CO)CC[C@]12C,C29H48O3,pos_1_1proton1methanol,444.360345396,GXGBLBFUBDIUOT,Terpenoids,Triterpenoids,Friedelane triterpenoids,Euonymus revolutus,6092646.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus revolutus'],7,0,7.0 63084,2315,-1,,,,0.0,MS1_match,BSALBDFYJLSIOZ-AJVVGMEXSA-N,"InChI=1S/C29H48O3/c1-18(31)19-9-14-29(17-30)16-15-27(5)20(24(19)29)7-8-22-26(4)12-11-23(32)25(2,3)21(26)10-13-28(22,27)6/h19-24,30,32H,7-17H2,1-6H3/t19-,20+,21-,22+,23+,24+,26-,27+,28+,29+/m0/s1",CC(=O)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C29H48O3,pos_1_1proton1methanol,444.360345396,BSALBDFYJLSIOZ,Terpenoids,Triterpenoids,Lupane triterpenoids,Euonymus carnosus,514583.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus carnosus'],7,0,7.0 63075,2314,-1,,,,0.3076222,ISDB,USYOOQFISINJLZ-IBAOYMAMSA-N,"InChI=1S/C23H34O6/c1-14(24)29-23(19(27)28-4)13-22-11-8-16-20(2,17(22)7-6-15(23)12-22)9-5-10-21(16,3)18(25)26/h15-17H,5-13H2,1-4H3,(H,25,26)/t15-,16+,17+,20-,21-,22+,23-/m1/s1",COC(=O)[C@@]1(OC(C)=O)C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]2CC[C@@H]1C3,C23H34O6,,406.235538808,USYOOQFISINJLZ,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Annona glabra,209798.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Annoneae'],['Annona'],['Annona glabra'],4,0,5.2304887771606445 63072,2310,-1,,,,0.27555484,ISDB,UGDVDUDNGSZKIS-HRVVTOCWSA-N,"InChI=1S/C29H38O3/c1-16-9-7-11-21-13-25-27(18(3)26(16)21)19(4)28(32-25)31-24-14-22-12-8-10-17(2)29(22,6)15-23(24)20(5)30/h13,16-17,22H,7-12,14-15H2,1-6H3/t16-,17-,22+,29+/m0/s1",CC(=O)C1=C(Oc2oc3cc4c(c(C)c3c2C)[C@@H](C)CCC4)C[C@H]2CCC[C@H](C)[C@@]2(C)C1,C29H38O3,,434.282095076,UGDVDUDNGSZKIS,Terpenoids,Sesquiterpenoids,Noreremophilane sesquiterpenoids,Ligularia muliensis,7051955.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Ligularia'],['Ligularia muliensis'],4,0,5.102219343185425 63068,2307,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,XMHIUKTWLZUKEX-UHFFFAOYSA-N,"InChI=1S/C26H52O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27)28/h2-25H2,1H3,(H,27,28)",CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O,C26H52O2,pos_1_1proton1methanol,396.3967309039999,XMHIUKTWLZUKEX,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,2,7.0 63069,2307,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,XMHIUKTWLZUKEX-UHFFFAOYSA-N,"InChI=1S/C26H52O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27)28/h2-25H2,1H3,(H,27,28)",CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O,C26H52O2,pos_1_1proton1methanol,396.3967309039999,XMHIUKTWLZUKEX,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Nardostachys jatamansi,24101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Nardostachys'],['Nardostachys jatamansi'],6,2,7.0 63055,2303,-1,,,,0.43595326,ISDB,VNZPJUCTIYWVGR-UHFFFAOYSA-N,"InChI=1S/C25H44O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20-23(26)21-24(27-2)25(22)28-3/h20-21,26H,4-19H2,1-3H3",CCCCCCCCCCCCCCCCCc1cc(O)cc(OC)c1OC,C25H44O3,,392.329045268,VNZPJUCTIYWVGR,Polyketides,Aromatic polyketides,Catechols with side chains,Iris missouriensis,74513.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Iridaceae'],['Irideae'],['Iris'],['Iris missouriensis'],4,0,5.7438130378723145 63056,2303,-1,,,,0.43595326,ISDB,VNZPJUCTIYWVGR-UHFFFAOYSA-N,"InChI=1S/C25H44O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20-23(26)21-24(27-2)25(22)28-3/h20-21,26H,4-19H2,1-3H3",CCCCCCCCCCCCCCCCCc1cc(O)cc(OC)c1OC,C25H44O3,,392.329045268,VNZPJUCTIYWVGR,Polyketides,Aromatic polyketides,Catechols with side chains,Iris sibirica,43087.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Iridaceae'],['Irideae'],['Iris'],['Iris sibirica'],4,0,5.7438130378723145 63057,2303,-1,,,,0.43595326,ISDB,VNZPJUCTIYWVGR-UHFFFAOYSA-N,"InChI=1S/C25H44O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20-23(26)21-24(27-2)25(22)28-3/h20-21,26H,4-19H2,1-3H3",CCCCCCCCCCCCCCCCCc1cc(O)cc(OC)c1OC,C25H44O3,,392.329045268,VNZPJUCTIYWVGR,Polyketides,Aromatic polyketides,Catechols with side chains,Iris pseudacorus,43059.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Iridaceae'],['Irideae'],['Iris'],['Iris pseudacorus'],4,0,5.7438130378723145 63041,2301,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.61505514,ISDB,GLFSTVQYXPOBGJ-UHFFFAOYSA-N,"InChI=1S/C19H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(20)19(21)22/h2-17H2,1H3,(H,21,22)",CCCCCCCCCCCCCCCCCC(=O)C(=O)O,C19H36O3,,312.266445012,GLFSTVQYXPOBGJ,Fatty acids,Fatty Acids and Conjugates,Oxo fatty acids,Lepidium meyenii,681784.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Lepidieae'],['Lepidium'],['Lepidium meyenii'],4,2,7.460220575332642 63028,2298,523,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.42136812,ISDB,KWMWJQVVNZCVAU-UHFFFAOYSA-N,"InChI=1S/C36H36O17/c1-15-26(42)29(45)31(47)35(49-15)53-34-30(46)27(43)23(14-48-24(41)11-4-16-2-7-18(37)8-3-16)51-36(34)52-33-28(44)25-21(40)12-20(39)13-22(25)50-32(33)17-5-9-19(38)10-6-17/h2-13,15,23,26-27,29-31,34-40,42-43,45-47H,14H2,1H3",CC1OC(OC2C(Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)OC(COC(=O)C=Cc3ccc(O)cc3)C(O)C2O)C(O)C(O)C1O,C36H36O17,,740.1952496920001,KWMWJQVVNZCVAU,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Castanea sativa,1028994.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Fagaceae'],['Unknown'],['Castanea'],['Castanea sativa'],4,3,7.18547248840332 63029,2298,523,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.42136812,ISDB,KWMWJQVVNZCVAU-KTHJHTPKSA-N,"InChI=1S/C36H36O17/c1-15-26(42)29(45)31(47)35(49-15)53-34-30(46)27(43)23(14-48-24(41)11-4-16-2-7-18(37)8-3-16)51-36(34)52-33-28(44)25-21(40)12-20(39)13-22(25)50-32(33)17-5-9-19(38)10-6-17/h2-13,15,23,26-27,29-31,34-40,42-43,45-47H,14H2,1H3/b11-4+/t15-,23+,26-,27+,29+,30-,31+,34+,35-,36-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C36H36O17,,740.195249692,KWMWJQVVNZCVAU,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Oenothera filiformis,623290.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Onagraceae'],['Onagreae'],['Oenothera'],['Oenothera filiformis'],4,3,7.18547248840332 62945,2284,-1,,,,0.67784745,ISDB,KJSAXQYTHNRIBJ-YRGRVCCFSA-N,"InChI=1S/C14H20O2/c1-10(13(15)16)11-6-8-14(2)7-4-3-5-12(14)9-11/h3,5,11-12H,1,4,6-9H2,2H3,(H,15,16)/t11-,12-,14-/m1/s1",C=C(C(=O)O)[C@@H]1CC[C@@]2(C)CCC=C[C@@H]2C1,C14H20O2,,220.14632988,KJSAXQYTHNRIBJ,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Dittrichia graveolens,3899100.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Dittrichia'],['Dittrichia graveolens'],4,0,6.711389780044556 62939,2283,7,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.2788772,ISDB,KULGJNLEWICRST-LABWTSPLSA-N,"InChI=1S/C29H42O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-11,18-21,25,27H,7,12-17H2,1-6H3/b9-8+/t20-,21-,25-,27+,28+,29-/m1/s1",CC[C@H](/C=C/[C@@H](C)[C@H]1CCC2=C3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C,C29H42O,,406.323565964,KULGJNLEWICRST,Terpenoids,Steroids,Stigmastane steroids,Ailanthus altissima,30793.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Simaroubaceae'],['Unknown'],['Ailanthus'],['Ailanthus altissima'],4,1,5.615508794784546 62871,2278,-1,,,,0.2474123,ISDB,GSCDCVRGFONNJZ-RSWZQJPJSA-N,"InChI=1S/C31H48O4/c1-26(2)21-11-14-31(7)22(29(21,5)13-12-23(26)32)10-9-19-20-17-27(3,25(34)35-8)18-24(33)28(20,4)15-16-30(19,31)6/h9,20-22,24,33H,10-18H2,1-8H3/t20-,21?,22-,24+,27-,28-,29+,30-,31-/m1/s1",COC(=O)[C@]1(C)C[C@@H]2C3=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)C5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)[C@@H](O)C1,C31H48O4,,484.355260016,GSCDCVRGFONNJZ,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Tripterygium regelii,483028.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium regelii'],6,0,6.989649176597595 62872,2278,-1,,,,0.2474123,ISDB,GSCDCVRGFONNJZ-RSWZQJPJSA-N,"InChI=1S/C31H48O4/c1-26(2)21-11-14-31(7)22(29(21,5)13-12-23(26)32)10-9-19-20-17-27(3,25(34)35-8)18-24(33)28(20,4)15-16-30(19,31)6/h9,20-22,24,33H,10-18H2,1-8H3/t20-,21?,22-,24+,27-,28-,29+,30-,31-/m1/s1",COC(=O)[C@]1(C)C[C@@H]2C3=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)C5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)[C@@H](O)C1,C31H48O4,,484.355260016,GSCDCVRGFONNJZ,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Tripterygium wilfordii,300831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium wilfordii'],6,0,6.989649176597595 62857,2275,1229,Polyketides,Fatty esters,Wax monoesters,0.5569007,ISDB,JELHWUPDJFSSDO-UHFFFAOYSA-N,"InChI=1S/C22H41F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27-21(26)22(23,24)25/h2-20H2,1H3",CCCCCCCCCCCCCCCCCCCCOC(=O)C(F)(F)F,C22H41F3O2,,394.305865212,JELHWUPDJFSSDO,Fatty acids,Fatty esters,Wax monoesters,Terminalia chebula,987253.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Combretaceae'],['Unknown'],['Terminalia'],['Terminalia chebula'],4,3,7.72760272026062 62767,2274,-1,,,,0.4398065,ISDB,NCYCYZXNIZJOKI-OVSJKPMPSA-N,"InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8+,17-13+",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=O)C(C)(C)CCC1,C20H28O,,284.214015516,NCYCYZXNIZJOKI,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],4,0,5.759225964546204 62768,2274,-1,,,,0.4398065,ISDB,NCYCYZXNIZJOKI-OVSJKPMPSA-N,"InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8+,17-13+",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=O)C(C)(C)CCC1,C20H28O,,284.214015516,NCYCYZXNIZJOKI,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Panax ginseng,524063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax ginseng'],4,0,5.759225964546204 62766,2273,645,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,0.30463108,ISDB,,,,,,,XQVRPWAJMCYTNW,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.2185243368148804 62764,2271,7,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.2356907,ISDB,FPQQKAKTGXPOSV-DYNHENLKSA-N,"InChI=1S/C28H36/c1-18(2)19(3)10-11-20(4)25-14-15-26-23-13-12-22-9-7-8-21(5)27(22)24(23)16-17-28(25,26)6/h7-13,15,18-20,25H,14,16-17H2,1-6H3/b11-10+/t19-,20-,25-,28-/m1/s1",Cc1cccc2ccc3c(c12)CC[C@@]1(C)C3=CC[C@@H]1[C@H](C)/C=C/[C@@H](C)C(C)C,C28H36,,372.281701152,FPQQKAKTGXPOSV,Terpenoids,Steroids,Ergostane steroids,Daldinia concentrica,183726.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Xylariales'],['Xylariaceae'],['Unknown'],['Daldinia'],['Daldinia concentrica'],1,1,2.442762792110443 62720,2268,-1,,,,0.0,MS1_match,CSKKDSFETGLMSB-NRZPKYKESA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11-,12-,13+,14-,16+,17+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC=O,C17H24O10,pos_1_1potassium,388.1369469679999,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera tatarica,980069.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],8,0,8.0 62721,2268,-1,,,,0.0,MS1_match,CSKKDSFETGLMSB-QOMIBOLPSA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11-,12-,13+,14-,16+,17-/m1/s1",C=C[C@H]1[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC=O,C17H24O10,pos_1_1potassium,388.136946968,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera periclymenum,811893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera periclymenum'],8,0,8.0 62722,2268,-1,,,,0.0,MS1_match,CSKKDSFETGLMSB-UHFFFAOYSA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC=O,C17H24O10,pos_1_1potassium,388.1369469679999,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera morrowii,484242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],8,0,8.0 62723,2268,-1,,,,0.0,MS1_match,CSKKDSFETGLMSB-NRZPKYKESA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11-,12-,13+,14-,16+,17+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC=O,C17H24O10,pos_1_1potassium,388.1369469679999,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera tatarica,980069.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],8,0,8.0 62724,2268,-1,,,,0.0,MS1_match,LPOVXLVQNSEZGE-PMRPVAAPSA-N,"InChI=1S/C17H24O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,10-14,16-18,20-22H,3-4H2,1-2H3/t6-,7+,10+,11+,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1CC(=O)[C@@H]2C,C17H24O10,pos_1_1potassium,388.1369469679999,LPOVXLVQNSEZGE,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera morrowii,484242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],8,0,8.0 62725,2268,-1,,,,0.0,MS1_match,CSKKDSFETGLMSB-QOMIBOLPSA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11-,12-,13+,14-,16+,17-/m1/s1",C=C[C@H]1[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC=O,C17H24O10,pos_1_1potassium,388.136946968,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera periclymenum,811893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera periclymenum'],8,0,8.0 62726,2268,-1,,,,0.0,MS1_match,LPOVXLVQNSEZGE-PMRPVAAPSA-N,"InChI=1S/C17H24O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,10-14,16-18,20-22H,3-4H2,1-2H3/t6-,7+,10+,11+,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1CC(=O)[C@@H]2C,C17H24O10,pos_1_1potassium,388.1369469679999,LPOVXLVQNSEZGE,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera morrowii,484242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],8,0,8.0 62727,2268,-1,,,,0.0,MS1_match,CSKKDSFETGLMSB-UHFFFAOYSA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC=O,C17H24O10,pos_1_1potassium,388.1369469679999,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera morrowii,484242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],8,0,8.0 62718,2265,-1,,,,0.0,MS1_match,UTUISHMYVAZILQ-UHFFFAOYSA-N,"InChI=1S/C30H26O12/c31-14-24-29(42-25(36)10-3-15-1-6-17(32)7-2-15)27(37)28(38)30(41-24)39-19-11-20(34)26-21(35)13-22(40-23(26)12-19)16-4-8-18(33)9-5-16/h1-13,24,27-34,37-38H,14H2",O=C(C=Cc1ccc(O)cc1)OC1C(CO)OC(Oc2cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc3c2)C(O)C1O,C30H26O12,pos_1_sodium,578.142426272,UTUISHMYVAZILQ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Clematis terniflora,21289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis terniflora'],8,0,8.0 62719,2265,-1,,,,0.0,MS1_match,ZTDLEPCPWDWZOM-IOQDTQQCSA-N,"InChI=1S/C30H26O12/c31-16-6-1-14(2-7-16)3-10-23(35)40-13-22-26(36)28(38)29(39)30(42-22)25-19(34)12-21-24(27(25)37)18(33)11-20(41-21)15-4-8-17(32)9-5-15/h1-12,22,26,28-32,34,36-39H,13H2/b10-3+/t22-,26-,28+,29-,30+/m1/s1",O=C(/C=C/c1ccc(O)cc1)OC[C@H]1O[C@@H](c2c(O)cc3oc(-c4ccc(O)cc4)cc(=O)c3c2O)[C@H](O)[C@@H](O)[C@@H]1O,C30H26O12,pos_1_sodium,578.142426272,ZTDLEPCPWDWZOM,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Clematis rehderiana,289952.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis rehderiana'],8,0,8.0 62715,2262,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.27327982,ISDB,NVTLDVSBUJGIAD-QHBXHTPSSA-N,"InChI=1S/C45H38O21/c46-15-7-18(48)30-29(8-15)64-42(13-3-24(54)37(60)25(55)4-13)39(62)34(30)32-20(50)11-21(51)33-35(40(63)43(66-45(32)33)14-5-26(56)38(61)27(57)6-14)31-19(49)10-17(47)16-9-28(58)41(65-44(16)31)12-1-22(52)36(59)23(53)2-12/h1-8,10-11,28,34-35,39-43,46-63H,9H2/t28-,34-,35+,39-,40-,41+,42+,43+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1cc(O)c(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1cc(O)c(O)c(O)c1)[C@@H](O)C2,C45H38O21,,914.1905582360004,NVTLDVSBUJGIAD,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Ribes nigrum,248647.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Grossulariaceae'],['Unknown'],['Ribes'],['Ribes nigrum'],4,3,6.593119263648987 62716,2262,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.27327982,ISDB,NVTLDVSBUJGIAD-YXPYEDIHSA-N,"InChI=1S/C45H38O21/c46-15-7-18(48)30-29(8-15)64-42(13-3-24(54)37(60)25(55)4-13)39(62)34(30)32-20(50)11-21(51)33-35(40(63)43(66-45(32)33)14-5-26(56)38(61)27(57)6-14)31-19(49)10-17(47)16-9-28(58)41(65-44(16)31)12-1-22(52)36(59)23(53)2-12/h1-8,10-11,28,34-35,39-43,46-63H,9H2/t28-,34+,35-,39+,40+,41-,42-,43-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1cc(O)c(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1cc(O)c(O)c(O)c1)[C@H](O)C2,C45H38O21,,914.190558236,NVTLDVSBUJGIAD,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Croton lechleri,900868.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Crotoneae'],['Croton'],['Croton lechleri'],4,3,6.593119263648987 62702,2261,-1,,,,0.2225991,ISDB,CEDIUSJLGQLBRO-ITVDRDEASA-N,"InChI=1S/C40H56O6/c1-24-14-19-39(35(44)45)20-21-40(23-27(41)10-8-26-9-12-29(42)30(22-26)46-7)28(34(39)25(24)2)11-13-32-37(5)17-16-33(43)36(3,4)31(37)15-18-38(32,40)6/h8-12,22,24-25,31-34,42-43H,13-21,23H2,1-7H3,(H,44,45)/b10-8-/t24-,25+,31+,32-,33+,34+,37+,38-,39+,40+/m1/s1",COc1cc(/C=C\C(=O)C[C@@]23CC[C@@]4(C(=O)O)CC[C@@H](C)[C@H](C)[C@H]4C2=CC[C@@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]23C)ccc1O,C40H56O6,,632.4076895119999,CEDIUSJLGQLBRO,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Uncaria rhynchophylla,985518.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Naucleeae'],['Uncaria'],['Uncaria rhynchophylla'],4,0,4.890396416187286 62674,2260,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.6462613,ISDB,PESDJELQYIQZBG-RMQQFATJSA-N,"InChI=1S/C21H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-18-20(22)21(23)24-19/h9-10,19-20,22H,2-8,11-18H2,1H3/b10-9+/t19-,20-/m1/s1",CCCCCCCC/C=C/CCCCCCC[C@@H]1C[C@@H](O)C(=O)O1,C21H38O3,,338.282095076,PESDJELQYIQZBG,Polyketides,,,Garcinia mannii,155007.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Clusiaceae'],['Garcinieae'],['Garcinia'],['Garcinia mannii'],4,0,6.585045099258423 62669,2259,1104,Polyketides,Chromanes,Chromones,0.0,MS1_match,XLZRRNWHQQRALT-PEVLUNPASA-N,"InChI=1S/C21H24O10/c1-9-4-12(23)16-13(24)5-14-11(20(16)30-9)3-2-10(7-28-14)8-29-21-19(27)18(26)17(25)15(6-22)31-21/h2,4-5,15,17-19,21-22,24-27H,3,6-8H2,1H3/t15-,17-,18+,19-,21-/m1/s1",Cc1cc(=O)c2c(O)cc3c(c2o1)CC=C(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CO3,C21H24O10,pos_1_1proton,436.136946968,XLZRRNWHQQRALT,Polyketides,Chromanes,Chromones,Eranthis hyemalis,756503.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Eranthis'],['Eranthis hyemalis'],6,3,7.5 62665,2257,-1,,,,0.25401434,ISDB,FVOOCQKPVCFFSH-VPDRPMEHSA-N,"InChI=1S/C33H48O5/c1-19(2)20(3)10-11-22(29(36)37)25-18-28(38-21(4)34)33(9)24-12-13-26-30(5,6)27(35)15-16-31(26,7)23(24)14-17-32(25,33)8/h12,14,19,22,25-26,28H,3,10-11,13,15-18H2,1-2,4-9H3,(H,36,37)/t22-,25-,26+,28+,31-,32-,33-/m1/s1",C=C(CC[C@@H](C(=O)O)[C@H]1C[C@H](OC(C)=O)[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C)C(C)C,C33H48O5,,524.3501746359999,FVOOCQKPVCFFSH,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Fomitopsis officinalis,952534.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Agaricomycetes'],['Polyporales'],['Fomitopsidaceae'],['Unknown'],['Fomitopsis'],['Fomitopsis officinalis'],1,0,2.0160573720932007 62624,2256,135,Terpenoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.50829774,ISDB,FWBYBHVDDGVPDF-IAFKSKRFSA-N,"InChI=1S/C30H46O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h13,15,20-23,25H,1,9-12,14,16-18H2,2-8H3/t20-,21-,22-,23+,25+,27+,28-,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@@H](CC[C@@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O,,422.3548660919999,FWBYBHVDDGVPDF,Terpenoids,Triterpenoids,Lupane triterpenoids,Monteverdia cuzcoina,6092941.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Monteverdia'],['Monteverdia cuzcoina'],6,1,8.533190965652466 62625,2256,135,Terpenoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.50829774,ISDB,FWBYBHVDDGVPDF-IAFKSKRFSA-N,"InChI=1S/C30H46O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h13,15,20-23,25H,1,9-12,14,16-18H2,2-8H3/t20-,21-,22-,23+,25+,27+,28-,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@@H](CC[C@@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O,,422.3548660919999,FWBYBHVDDGVPDF,Terpenoids,Triterpenoids,Lupane triterpenoids,Monteverdia chiapensis,6092929.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Monteverdia'],['Monteverdia chiapensis'],6,1,8.533190965652466 62612,2255,1229,Polyketides,Fatty esters,Wax monoesters,0.49237487,ISDB,GFTJDZSXIJIXDB-ARNLJNQMSA-N,"InChI=1S/C25H44O4/c1-4-6-8-10-12-14-15-17-19-21-23-25(3,29-24(21)26)28-22(27-23)20-18-16-13-11-9-7-5-2/h19,22-23H,4-18,20H2,1-3H3/t22-,23+,25-/m0/s1",CCCCCCCCCC=C1C(=O)O[C@]2(C)O[C@@H](CCCCCCCCC)O[C@H]12,C25H44O4,,408.323959888,GFTJDZSXIJIXDB,Polyketides,,,Litsea acutivena,18346.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea acutivena'],4,1,6.469499468803406 62513,2253,94,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.6703609,ISDB,KKNRLFRQWDXUQD-UHFFFAOYSA-N,"InChI=1S/C20H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)23-19-18-21/h6-7,9-10,21H,2-5,8,11-19H2,1H3",CCCCCC=CCC=CCCCCCCCC(=O)OCCO,C20H36O3,,324.266445012,KKNRLFRQWDXUQD,Fatty acids,Fatty esters,Wax monoesters,Tagetes erecta,717584.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Tageteae'],['Tagetes'],['Tagetes erecta'],4,1,7.181443691253662 62512,2251,566,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,QUKURLODOVRHQB-CSIVPCFASA-N,"InChI=1S/C23H37NO9/c1-24-7-20(8-31-2)10(25)5-11(32-3)22-9-6-21(29)17(26)12(9)23(30,19(28)18(21)27)13(16(22)24)14(33-4)15(20)22/h9-19,25-30H,5-8H2,1-4H3/t9-,10-,11+,12-,13+,14+,15-,16-,17-,18+,19+,20+,21-,22+,23-/m1/s1",COC[C@]12CN(C)[C@@H]3[C@@H]4[C@H](OC)[C@H]1[C@@]3([C@@H](OC)C[C@H]2O)[C@@H]1C[C@@]2(O)[C@H](O)[C@@H]1[C@]4(O)[C@@H](O)[C@@H]2O,C23H37NO9,pos_1_1proton1methanol,471.2468317639998,QUKURLODOVRHQB,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum carmichaelii,549536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum carmichaelii'],6,3,7.5 62511,2250,1556,,,,0.39367396,ISDB,,,,,,,AMXCMJDAXXAYMI,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.5746958255767822 62510,2247,-1,,,,0.0,MS1_match,YHCKEIOMLBIUQU-SEHFLPBWSA-N,"InChI=1S/C35H44O13/c1-8-20(2)31(41)44-19-32(5)27-28(40)30(47-25(38)15-14-23-12-10-9-11-13-23)34(7)24(46-26(39)18-43-21(3)36)16-17-33(6,42)35(34,48-32)29(27)45-22(4)37/h8-15,24,27-30,40,42H,16-19H2,1-7H3/b15-14+,20-8+/t24-,27+,28-,29+,30-,32?,33-,34-,35-/m0/s1",C/C=C(\C)C(=O)OCC1(C)O[C@]23[C@H](OC(C)=O)[C@H]1[C@H](O)[C@H](OC(=O)/C=C/c1ccccc1)[C@]2(C)[C@@H](OC(=O)COC(C)=O)CC[C@]3(C)O,C35H44O13,pos_1_1potassium,672.2781914679997,YHCKEIOMLBIUQU,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Denhamia celastroides,806623.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Denhamia'],['Denhamia celastroides'],6,0,6.0 62481,2246,-1,,,,0.0,MS1_match,FJKROLUGYXJWQN-UHFFFAOYSA-N,"InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)",O=C(O)c1ccc(O)cc1,C7H6O3,pos_1_1proton1methanol,138.031694052,FJKROLUGYXJWQN,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Lonicera microphylla,980075.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera microphylla'],7,0,7.0 62474,2244,-1,,,,0.0,MS1_match,JUJTUEBXXGRSJB-MTAKFWDWSA-N,"InChI=1S/C17H26O9/c1-3-9-10-4-12(22-2)23-6-8(10)7-24-16(9)26-17-15(21)14(20)13(19)11(5-18)25-17/h3,7,9-21H,1,4-6H2,2H3/t9-,10-,11-,12-,13-,14+,15-,16+,17+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2CO[C@@H](OC)C[C@H]21,C17H26O9,pos_1_1potassium,374.1576824119999,JUJTUEBXXGRSJB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 62471,2243,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,ODDNJYHUVXKJBI-SQLGEJSKSA-N,"InChI=1S/C15H28O3/c1-13(2,17)10-5-7-14(3)11(9-10)15(4,18)8-6-12(14)16/h10-12,16-18H,5-9H2,1-4H3/t10-,11+,12+,14+,15+/m1/s1",CC(C)(O)[C@@H]1CC[C@]2(C)[C@@H](O)CC[C@](C)(O)[C@H]2C1,C15H28O3,pos_2MHNH3,256.203844756,ODDNJYHUVXKJBI,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Tripterygium wilfordii,300831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium wilfordii'],6,0,6.0 62472,2243,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,ODDNJYHUVXKJBI-SQLGEJSKSA-N,"InChI=1S/C15H28O3/c1-13(2,17)10-5-7-14(3)11(9-10)15(4,18)8-6-12(14)16/h10-12,16-18H,5-9H2,1-4H3/t10-,11+,12+,14+,15+/m1/s1",CC(C)(O)[C@@H]1CC[C@]2(C)[C@@H](O)CC[C@](C)(O)[C@H]2C1,C15H28O3,pos_2MHNH3,256.203844756,ODDNJYHUVXKJBI,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Tripterygium regelii,483028.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium regelii'],6,0,6.0 62473,2243,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,OCOXBRHAPZDTPL-UHFFFAOYSA-N,"InChI=1S/C15H28O3/c1-10-5-6-12(16)15(18)8-7-11(13(2,3)17)9-14(10,15)4/h10-12,16-18H,5-9H2,1-4H3",CC1CCC(O)C2(O)CCC(C(C)(C)O)CC12C,C15H28O3,pos_2MHNH3,256.203844756,OCOXBRHAPZDTPL,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 62466,2242,-1,,,,0.25386843,ISDB,,,,,,,JYQWDHMBWDKSCX,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.01547372341156 62464,2234,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,USNYNNITUQSEEV-UHFFFAOYSA-N,"InChI=1S/C32H54O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27-36-32(34)26-24-29-23-25-30(33)31(28-29)35-2/h23-26,28,33H,3-22,27H2,1-2H3",CCCCCCCCCCCCCCCCCCCCCCOC(=O)C=Cc1ccc(O)c(OC)c1,C32H54O4,pos_1_1proton1ammonium,502.4022102079999,USNYNNITUQSEEV,,,,Reissantia buchananii,380816.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Reissantia'],['Reissantia buchananii'],6,0,6.0 62465,2234,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,USNYNNITUQSEEV-UHFFFAOYSA-N,"InChI=1S/C32H54O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27-36-32(34)26-24-29-23-25-30(33)31(28-29)35-2/h23-26,28,33H,3-22,27H2,1-2H3",CCCCCCCCCCCCCCCCCCCCCCOC(=O)C=Cc1ccc(O)c(OC)c1,C32H54O4,pos_1_1proton1ammonium,502.4022102079999,USNYNNITUQSEEV,,,,Reissantia buchananii,380816.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Reissantia'],['Reissantia buchananii'],6,0,6.0 62433,2232,-1,,,,0.7136223,ISDB,VJELPTFOTXKQJX-NYXMCYOFSA-N,"InChI=1S/C32H40O10/c1-7-8-9-10-11-12-13-14-29-40-26-22-25-28(16-33,39-25)27(36)30(37)21(15-18(4)23(30)35)32(22,42-29)19(5)24(38-20(6)34)31(26,41-29)17(2)3/h9-15,19,21-22,24-27,33,36-37H,2,7-8,16H2,1,3-6H3/t19-,21-,22+,24-,25+,26-,27-,28+,29-,30-,31-,32+/m1/s1",C=C(C)[C@]12O[C@@]3(C=CC=CC=CCCC)O[C@@H]1[C@@H]1[C@@H]4O[C@]4(CO)[C@@H](O)[C@]4(O)C(=O)C(C)=C[C@H]4[C@@]1(O3)[C@H](C)[C@H]2OC(C)=O,C32H40O10,,584.26214748,VJELPTFOTXKQJX,Terpenoids,Diterpenoids,Daphnane diterpenoids,Synaptolepis kirkii,6119675.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Thymelaeaceae'],['Unknown'],['Synaptolepis'],['Synaptolepis kirkii'],4,0,6.854489088058472 62434,2232,-1,,,,0.7136223,ISDB,VJELPTFOTXKQJX-GFMSAKSFSA-N,"InChI=1S/C32H40O10/c1-7-8-9-10-11-12-13-14-29-40-26-22-25-28(16-33,39-25)27(36)30(37)21(15-18(4)23(30)35)32(22,42-29)19(5)24(38-20(6)34)31(26,41-29)17(2)3/h9-15,19,21-22,24-27,33,36-37H,2,7-8,16H2,1,3-6H3/b10-9-,12-11+,14-13+/t19-,21-,22+,24-,25+,26-,27-,28+,29?,30-,31+,32+/m1/s1",C=C(C)[C@@]12OC3(/C=C/C=C/C=C\CCC)O[C@@H]1[C@@H]1[C@@H]4O[C@]4(CO)[C@@H](O)[C@]4(O)C(=O)C(C)=C[C@H]4[C@@]1(O3)[C@H](C)[C@H]2OC(C)=O,C32H40O10,,584.2621474799998,VJELPTFOTXKQJX,Terpenoids,Diterpenoids,Daphnane diterpenoids,Daphne genkwa,5516227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Thymelaeaceae'],['Unknown'],['Daphne'],['Daphne genkwa'],4,0,6.854489088058472 62435,2232,-1,,,,0.7136223,ISDB,VJELPTFOTXKQJX-GFMSAKSFSA-N,"InChI=1S/C32H40O10/c1-7-8-9-10-11-12-13-14-29-40-26-22-25-28(16-33,39-25)27(36)30(37)21(15-18(4)23(30)35)32(22,42-29)19(5)24(38-20(6)34)31(26,41-29)17(2)3/h9-15,19,21-22,24-27,33,36-37H,2,7-8,16H2,1,3-6H3/b10-9-,12-11+,14-13+/t19-,21-,22+,24-,25+,26-,27-,28+,29?,30-,31+,32+/m1/s1",C=C(C)[C@@]12OC3(/C=C/C=C/C=C\CCC)O[C@@H]1[C@@H]1[C@@H]4O[C@]4(CO)[C@@H](O)[C@]4(O)C(=O)C(C)=C[C@H]4[C@@]1(O3)[C@H](C)[C@H]2OC(C)=O,C32H40O10,,584.2621474799998,VJELPTFOTXKQJX,Terpenoids,Diterpenoids,Daphnane diterpenoids,Pimelea elongata,6119607.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Thymelaeaceae'],['Unknown'],['Pimelea'],['Pimelea elongata'],4,0,6.854489088058472 62436,2232,-1,,,,0.7136223,ISDB,VJELPTFOTXKQJX-NYXMCYOFSA-N,"InChI=1S/C32H40O10/c1-7-8-9-10-11-12-13-14-29-40-26-22-25-28(16-33,39-25)27(36)30(37)21(15-18(4)23(30)35)32(22,42-29)19(5)24(38-20(6)34)31(26,41-29)17(2)3/h9-15,19,21-22,24-27,33,36-37H,2,7-8,16H2,1,3-6H3/t19-,21-,22+,24-,25+,26-,27-,28+,29-,30-,31-,32+/m1/s1",C=C(C)[C@]12O[C@@]3(C=CC=CC=CCCC)O[C@@H]1[C@@H]1[C@@H]4O[C@]4(CO)[C@@H](O)[C@]4(O)C(=O)C(C)=C[C@H]4[C@@]1(O3)[C@H](C)[C@H]2OC(C)=O,C32H40O10,,584.26214748,VJELPTFOTXKQJX,Terpenoids,Diterpenoids,Daphnane diterpenoids,Synaptolepis retusa,6119678.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Thymelaeaceae'],['Unknown'],['Synaptolepis'],['Synaptolepis retusa'],4,0,6.854489088058472 62437,2232,-1,,,,0.7136223,ISDB,VJELPTFOTXKQJX-ROTRNVGISA-N,"InChI=1S/C32H40O10/c1-7-8-9-10-11-12-13-14-29-40-26-22-25-28(16-33,39-25)27(36)30(37)21(15-18(4)23(30)35)32(22,42-29)19(5)24(38-20(6)34)31(26,41-29)17(2)3/h9-15,19,21-22,24-27,33,36-37H,2,7-8,16H2,1,3-6H3/b10-9+,12-11+,14-13+/t19-,21-,22+,24-,25+,26-,27-,28+,29-,30-,31+,32+/m1/s1",C=C(C)[C@@]12O[C@@]3(/C=C/C=C/C=C/CCC)O[C@@H]1[C@@H]1[C@@H]4O[C@]4(CO)[C@@H](O)[C@]4(O)C(=O)C(C)=C[C@H]4[C@@]1(O3)[C@H](C)[C@H]2OC(C)=O,C32H40O10,,584.26214748,VJELPTFOTXKQJX,Terpenoids,Diterpenoids,Daphnane diterpenoids,Daphne acutiloba,6119220.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Thymelaeaceae'],['Unknown'],['Daphne'],['Daphne acutiloba'],4,0,6.854489088058472 62408,2231,219,Fatty acids,Fatty acyls,Fatty aldehydes,0.6589881,ISDB,OPICXYKVYSNVBV-UHFFFAOYSA-N,"InChI=1S/C27H48O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-22-26(28)24(2)27(23-25)29-3/h22-23,28H,4-21H2,1-3H3",CCCCCCCCCCCCCCCCCCCc1cc(O)c(C)c(OC)c1,C27H48O2,,404.3654307759999,OPICXYKVYSNVBV,Polyketides,Aromatic polyketides,Catechols with side chains,Cichorium spinosum,485943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Cichorium'],['Cichorium spinosum'],4,0,6.635952472686768 62406,2230,-1,,,,0.0,MS1_match,GHVNFZFCNZKVNT-UHFFFAOYSA-N,"InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)",CCCCCCCCCC(=O)O,C10H20O2,pos_2MCH3CNNa,172.14632988,GHVNFZFCNZKVNT,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Staphisagria macrosperma,969162.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Staphisagria'],['Staphisagria macrosperma'],6,0,6.0 62407,2230,-1,,,,0.0,MS1_match,GHVNFZFCNZKVNT-UHFFFAOYSA-N,"InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)",CCCCCCCCCC(=O)O,C10H20O2,pos_2MCH3CNNa,172.14632988,GHVNFZFCNZKVNT,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Delphinium staphisagria,969162.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Staphisagria'],['Staphisagria macrosperma'],6,0,6.0 62403,2227,-1,,,,0.3180205,ISDB,BYGFDSFPDBVAMG-LDLBKJIOSA-N,"InChI=1S/C39H62O6/c1-9-10-11-12-13-16-35(41)44-23-14-15-34-32(29(4)26-40)21-22-38(8,43)39(34)25-31(45-36(39)42)24-27(2)17-20-33-28(3)18-19-30(5)37(33,6)7/h17,20,24,26,30-31,34,36,42-43H,9-16,18-19,21-23,25H2,1-8H3/b20-17+,27-24+,32-29-/t30-,31-,34+,36+,38-,39-/m0/s1",CCCCCCCC(=O)OCCC[C@@H]1/C(=C(/C)C=O)CC[C@](C)(O)[C@@]12C[C@H](/C=C(C)/C=C/C1=C(C)CC[C@H](C)C1(C)C)O[C@H]2O,C39H62O6,,626.454639704,BYGFDSFPDBVAMG,Terpenoids,,,Iris hoogiana,248945.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Iridaceae'],['Irideae'],['Iris'],['Iris hoogiana'],4,0,5.272081971168518 62349,2225,7,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.24375997,ISDB,RGAZJYSRPZSBTF-GVVOHZSFSA-N,"InChI=1S/C40H52O2/c1-29(18-13-20-31(3)23-25-35-33(5)22-15-27-39(35,7)8)16-11-12-17-30(2)19-14-21-32(4)24-26-36-34(6)38(42)37(41)28-40(36,9)10/h11-14,16-21,23-26,28,41H,15,22,27H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,29-16+,30-17+,31-20+,32-21+",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C(=O)C(O)=CC2(C)C)C(C)(C)CCC1,C40H52O2,,564.396730904,RGAZJYSRPZSBTF,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Adonis annua,804994.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Adonideae'],['Adonis'],['Adonis annua'],6,3,8.475039899349213 61554,2222,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.72033876,ISDB,OYHQOLUKZRVURQ-HZJYTTRNSA-N,"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCCCC(=O)O,C18H32O2,,280.240230264,OYHQOLUKZRVURQ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Celastrus paniculatus,561287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Celastrus'],['Celastrus paniculatus'],6,2,9.881355047225952 61555,2222,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.72033876,ISDB,OYHQOLUKZRVURQ-AVQMFFATSA-N,"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6+,10-9+",CCCCC/C=C/C/C=C/CCCCCCCC(=O)O,C18H32O2,,280.240230264,OYHQOLUKZRVURQ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Celastrus hypoleucus,1019456.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Celastrus'],['Celastrus hypoleucus'],6,2,9.881355047225952 61533,2218,-1,,,,0.424951,ISDB,XLWLLHXGWCWQSW-BUFZCUASSA-N,"InChI=1S/C18H24O6/c1-17(2)12-6-11(19)18(7-24-12)10-4-3-8(16(22)23)5-9(10)13(20)14(21)15(17)18/h8-10,12,14-15,21H,3-7H2,1-2H3,(H,22,23)/t8-,9-,10-,12-,14-,15-,18-/m1/s1",CC1(C)[C@H]2[C@H](O)C(=O)[C@@H]3C[C@H](C(=O)O)CC[C@H]3[C@@]23CO[C@@H]1CC3=O,C18H24O6,,336.15728848799995,XLWLLHXGWCWQSW,Terpenoids,Diterpenoids,Norkaurane diterpenoids,Isodon eriocalyx,1067788.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Ocimeae'],['Isodon'],['Isodon eriocalyx'],4,0,5.699803948402405 61344,2217,764,Terpenoids,Steroids,Cholestane steroids,0.44776604,ISDB,DPKBLLFCUGWECD-GTYQNAEWSA-N,"InChI=1S/C28H46O3/c1-18-19(29)7-8-20-24(18,3)10-9-21-25(20,4)12-13-27(6)22-17-23(2,30)11-15-28(22,31)16-14-26(21,27)5/h18,20-22,30-31H,7-17H2,1-6H3/t18-,20+,21-,22-,23+,24+,25-,26+,27-,28-/m0/s1",C[C@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(O)CC[C@]3(O)CC[C@]12C,C28H46O3,,430.344695332,DPKBLLFCUGWECD,Terpenoids,Triterpenoids,Friedelane triterpenoids,Euonymus laxiflorus,310705.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus laxiflorus'],7,1,9.291064143180847 61276,2208,-1,,,,0.34499055,ISDB,MXTCKNHXBBXULO-ZJDHVTHPSA-N,"InChI=1S/C20H26O2/c1-14-12-17(21)18-19(2,3)9-5-10-20(18,4)16(14)7-6-15-8-11-22-13-15/h6-8,11-13,16,18H,5,9-10H2,1-4H3/b7-6+/t16-,18-,20+/m0/s1",CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1/C=C/c1ccoc1,C20H26O2,,298.193280072,MXTCKNHXBBXULO,Terpenoids,Diterpenoids,Labdane diterpenoids,Hedychium spicatum,750971.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Hedychium'],['Hedychium spicatum'],4,0,5.379962205886841 61277,2208,-1,,,,0.34499055,ISDB,MXTCKNHXBBXULO-UHFFFAOYSA-N,"InChI=1S/C20H26O2/c1-14-12-17(21)18-19(2,3)9-5-10-20(18,4)16(14)7-6-15-8-11-22-13-15/h6-8,11-13,16,18H,5,9-10H2,1-4H3",CC1=CC(=O)C2C(C)(C)CCCC2(C)C1C=Cc1ccoc1,C20H26O2,,298.193280072,MXTCKNHXBBXULO,Terpenoids,Diterpenoids,Labdane diterpenoids,Hedychium yunnanense,801623.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Hedychium'],['Hedychium yunnanense'],4,0,5.379962205886841 61278,2208,-1,,,,0.34499055,ISDB,MXTCKNHXBBXULO-ZJDHVTHPSA-N,"InChI=1S/C20H26O2/c1-14-12-17(21)18-19(2,3)9-5-10-20(18,4)16(14)7-6-15-8-11-22-13-15/h6-8,11-13,16,18H,5,9-10H2,1-4H3/b7-6+/t16-,18-,20+/m0/s1",CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1/C=C/c1ccoc1,C20H26O2,,298.193280072,MXTCKNHXBBXULO,Terpenoids,Diterpenoids,Labdane diterpenoids,Hedychium coronarium,161159.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Hedychium'],['Hedychium coronarium'],4,0,5.379962205886841 61273,2201,-1,,,,0.40577567,ISDB,ZRLAOEYZSKXGSL-RZRNQMRLSA-N,"InChI=1S/C43H70O10/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(45)50-34-36(35-51-43-42(49)41(48)40(47)37(33-44)53-43)52-39(46)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,22,36-37,40-44,47-49H,3-4,9-10,15-16,20-21,23-35H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,18-17-,22-19-/t36-,37-,40+,41+,42-,43-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCC/C=C\C/C=C\C/C=C\CC,C43H70O10,,746.49689844,ZRLAOEYZSKXGSL,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],4,0,5.62310266494751 61253,2199,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.6671258,ISDB,OHLQBKZXSJYBMK-IAGOWNOFSA-N,"InChI=1S/C17H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(19)14-17(20)15-18/h1,16-20H,3-15H2/t16-,17-/m1/s1",C#CCCCCCCCCCCC[C@@H](O)C[C@@H](O)CO,C17H32O3,,284.235144884,OHLQBKZXSJYBMK,Fatty acids,Fatty acyls,Fatty alcohols,Persea americana,913249.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Persea'],['Persea americana'],4,1,7.168503284454346 61226,2198,619,Polyketides,Linear polyketides,Acetogenins,0.30286038,ISDB,KCYRZEFVHDREPK-UHFFFAOYSA-N,"InChI=1S/C37H64O5/c1-3-4-5-6-7-13-16-19-22-31-33(40-31)24-26-35-36(42-35)27-25-34-32(41-34)23-20-17-14-11-9-8-10-12-15-18-21-30-28-29(2)39-37(30)38/h28-29,31-36H,3-27H2,1-2H3",CCCCCCCCCCC1OC1CCC1OC1CCC1OC1CCCCCCCCCCCCC1=CC(C)OC1=O,C37H64O5,,588.475375148,KCYRZEFVHDREPK,Polyketides,Linear polyketides,Acetogenins,Annona reticulata,94924.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Annoneae'],['Annona'],['Annona reticulata'],4,3,6.711441516876221 61227,2198,619,Polyketides,Linear polyketides,Acetogenins,0.30286038,ISDB,KCYRZEFVHDREPK-RIFYHBPYSA-N,"InChI=1S/C37H64O5/c1-3-4-5-6-7-13-16-19-22-31-33(40-31)24-26-35-36(42-35)27-25-34-32(41-34)23-20-17-14-11-9-8-10-12-15-18-21-30-28-29(2)39-37(30)38/h28-29,31-36H,3-27H2,1-2H3/t29-,31-,32-,33-,34-,35+,36-/m1/s1",CCCCCCCCCC[C@H]1O[C@@H]1CC[C@@H]1O[C@@H]1CC[C@H]1O[C@@H]1CCCCCCCCCCCCC1=C[C@@H](C)OC1=O,C37H64O5,,588.475375148,KCYRZEFVHDREPK,Polyketides,Linear polyketides,Acetogenins,Annona rensoniana,321538.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Annoneae'],['Annona'],['Annona rensoniana'],4,3,6.711441516876221 61228,2198,619,Polyketides,Linear polyketides,Acetogenins,0.30286038,ISDB,KCYRZEFVHDREPK-PVBUPMEXSA-N,"InChI=1S/C37H64O5/c1-3-4-5-6-7-13-16-19-22-31-33(40-31)24-26-35-36(42-35)27-25-34-32(41-34)23-20-17-14-11-9-8-10-12-15-18-21-30-28-29(2)39-37(30)38/h28-29,31-36H,3-27H2,1-2H3/t29-,31-,32+,33+,34-,35-,36+/m1/s1",CCCCCCCCCC[C@H]1O[C@H]1CC[C@H]1O[C@H]1CC[C@H]1O[C@H]1CCCCCCCCCCCCC1=C[C@@H](C)OC1=O,C37H64O5,,588.475375148,KCYRZEFVHDREPK,Polyketides,Linear polyketides,Acetogenins,Uvaria chamae,340656.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Uvarieae'],['Uvaria'],['Uvaria chamae'],4,3,6.711441516876221 61229,2198,619,Polyketides,Linear polyketides,Acetogenins,0.30286038,ISDB,KCYRZEFVHDREPK-RIFYHBPYSA-N,"InChI=1S/C37H64O5/c1-3-4-5-6-7-13-16-19-22-31-33(40-31)24-26-35-36(42-35)27-25-34-32(41-34)23-20-17-14-11-9-8-10-12-15-18-21-30-28-29(2)39-37(30)38/h28-29,31-36H,3-27H2,1-2H3/t29-,31-,32-,33-,34-,35+,36-/m1/s1",CCCCCCCCCC[C@H]1O[C@@H]1CC[C@@H]1O[C@@H]1CC[C@H]1O[C@@H]1CCCCCCCCCCCCC1=C[C@@H](C)OC1=O,C37H64O5,,588.475375148,KCYRZEFVHDREPK,Polyketides,Linear polyketides,Acetogenins,Annona squamosa,915056.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Annoneae'],['Annona'],['Annona squamosa'],4,3,6.711441516876221 61218,2197,180,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.54779613,ISDB,YXAMANJJQIUXMQ-UNRHHUQTSA-N,"InChI=1S/C23H20O13/c1-8(24)33-20-18(29)19(30)23(36-21(20)22(31)32)35-15-4-9(2-3-11(15)26)14-7-13(28)17-12(27)5-10(25)6-16(17)34-14/h2-7,18-21,23,25-27,29-30H,1H3,(H,31,32)/t18-,19-,20+,21+,23-/m1/s1",CC(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](Oc2cc(-c3cc(=O)c4c(O)cc(O)cc4o3)ccc2O)O[C@@H]1C(=O)O,C23H20O13,,504.0903907,YXAMANJJQIUXMQ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Salvia,374096.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Unknown'],4,2,7.1911845207214355 61219,2197,180,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.54779613,ISDB,YXAMANJJQIUXMQ-ZFVIQDPVSA-N,"InChI=1S/C23H20O13/c1-8(24)33-20-18(29)19(30)23(36-21(20)22(31)32)35-15-4-9(2-3-11(15)26)14-7-13(28)17-12(27)5-10(25)6-16(17)34-14/h2-7,18-21,23,25-27,29-30H,1H3,(H,31,32)/t18-,19-,20+,21-,23-/m1/s1",CC(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](Oc2cc(-c3cc(=O)c4c(O)cc(O)cc4o3)ccc2O)O[C@H]1C(=O)O,C23H20O13,,504.09039069999983,YXAMANJJQIUXMQ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Rosmarinus officinalis,778824.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia rosmarinus'],4,2,7.1911845207214355 61215,2196,-1,,,,0.44462508,ISDB,AHBFIAOFVNMQGM-RGLDJICNSA-N,"InChI=1S/C18H30O8/c1-17(24)6-4-3-5-9-12(17)10(20)7-18(9,2)26-16-15(23)14(22)13(21)11(8-19)25-16/h3,5,9-16,19-24H,4,6-8H2,1-2H3/t9-,10-,11+,12-,13+,14-,15+,16-,17+,18-/m0/s1",C[C@@]1(O)CCC=C[C@H]2[C@H]1[C@@H](O)C[C@]2(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C18H30O8,,374.19406791999984,AHBFIAOFVNMQGM,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Dictamnus dasycarpus,651514.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Dictamnus'],['Dictamnus dasycarpus'],4,0,5.778500318527222 61208,2194,-1,,,,0.0,MS1_match,FILRFEXGRQEKMM-ZYAMGDOSSA-N,"InChI=1S/C16H26O9/c1-6-7-3-10(16(2,22)14(7)23-5-8(6)18)25-15-13(21)12(20)11(19)9(4-17)24-15/h6-7,9-15,17,19-22H,3-5H2,1-2H3/t6-,7-,9-,10+,11-,12+,13-,14+,15+,16-/m1/s1",C[C@H]1C(=O)CO[C@H]2[C@@H]1C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@]2(C)O,C16H26O9,pos_1_1proton1acetonitrile,362.157682412,FILRFEXGRQEKMM,Terpenoids,Monoterpenoids,,Patrinia scabra,68239.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia scabra'],6,0,6.0 61209,2194,-1,,,,0.0,MS1_match,DPBCFTHDJGXWRI-ZYAMGDOSSA-N,"InChI=1S/C16H26O9/c1-6-7-3-10(19)16(2,14(7)23-5-8(6)18)25-15-13(22)12(21)11(20)9(4-17)24-15/h6-7,9-15,17,19-22H,3-5H2,1-2H3/t6-,7-,9-,10+,11-,12+,13-,14+,15+,16-/m1/s1",C[C@H]1C(=O)CO[C@H]2[C@@H]1C[C@H](O)[C@@]2(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H26O9,pos_1_1proton1acetonitrile,362.157682412,DPBCFTHDJGXWRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia scabra,68239.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia scabra'],6,0,6.0 61210,2194,-1,,,,0.0,MS1_match,DBLVGADGVDUSHJ-XBNYBDERSA-N,"InChI=1S/C16H26O9/c1-6-7-3-10(18)16(2,8(7)5-23-14(6)22)25-15-13(21)12(20)11(19)9(4-17)24-15/h6-13,15,17-21H,3-5H2,1-2H3/t6-,7-,8+,9-,10+,11-,12+,13-,15+,16+/m1/s1",C[C@H]1C(=O)OC[C@H]2[C@@H]1C[C@H](O)[C@@]2(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H26O9,pos_1_1proton1acetonitrile,362.157682412,DBLVGADGVDUSHJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia scabra,68239.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia scabra'],6,0,6.0 61211,2194,-1,,,,0.0,MS1_match,DBLVGADGVDUSHJ-RLIMOHGTSA-N,"InChI=1S/C16H26O9/c1-6-7-3-10(18)16(2,8(7)5-23-14(6)22)25-15-13(21)12(20)11(19)9(4-17)24-15/h6-13,15,17-21H,3-5H2,1-2H3/t6-,7+,8-,9-,10+,11-,12+,13-,15+,16+/m1/s1",C[C@H]1C(=O)OC[C@@H]2[C@H]1C[C@H](O)[C@@]2(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H26O9,pos_1_1proton1acetonitrile,362.157682412,DBLVGADGVDUSHJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia villosa,971855.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia villosa'],6,0,6.0 61212,2194,-1,,,,0.0,MS1_match,RAKWYUWXLTYDQR-LTPIHACHSA-N,"InChI=1S/C16H26O9/c1-6-7-2-10(8(3-17)9(7)5-23-15(6)22)24-16-14(21)13(20)12(19)11(4-18)25-16/h6-14,16-21H,2-5H2,1H3/t6-,7-,8-,9+,10+,11-,12-,13+,14-,16-/m1/s1",C[C@H]1C(=O)OC[C@@H]2[C@@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C[C@@H]21,C16H26O9,pos_1_1proton1acetonitrile,362.157682412,RAKWYUWXLTYDQR,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia gibbosa,231859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia gibbosa'],6,0,6.0 61213,2194,-1,,,,0.0,MS1_match,ZHEBCILICLSWEG-XBNYBDERSA-N,"InChI=1S/C16H26O9/c1-6-7-3-10(16(2,22)8(7)5-23-14(6)21)25-15-13(20)12(19)11(18)9(4-17)24-15/h6-13,15,17-20,22H,3-5H2,1-2H3/t6-,7-,8+,9-,10+,11-,12+,13-,15+,16+/m1/s1",C[C@H]1C(=O)OC[C@H]2[C@@H]1C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@]2(C)O,C16H26O9,pos_1_1proton1acetonitrile,362.15768241199993,ZHEBCILICLSWEG,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia scabra,68239.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia scabra'],6,0,6.0 61214,2194,-1,,,,0.0,MS1_match,ZHEBCILICLSWEG-XBNYBDERSA-N,"InChI=1S/C16H26O9/c1-6-7-3-10(16(2,22)8(7)5-23-14(6)21)25-15-13(20)12(19)11(18)9(4-17)24-15/h6-13,15,17-20,22H,3-5H2,1-2H3/t6-,7-,8+,9-,10+,11-,12+,13-,15+,16+/m1/s1",C[C@H]1C(=O)OC[C@H]2[C@@H]1C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@]2(C)O,C16H26O9,pos_1_1proton1acetonitrile,362.15768241199993,ZHEBCILICLSWEG,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia scabra,68239.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia scabra'],6,0,6.0 61202,2188,-1,,,,0.0,MS1_match,HITLMPHPGUZLGI-FDBLAFQCSA-N,"InChI=1S/C20H30O4/c1-18-7-3-8-19(2,17(23)24)14(18)6-9-20-10-12(4-5-15(18)20)13(11-20)16(21)22/h12-15H,3-11H2,1-2H3,(H,21,22)(H,23,24)/t12-,13-,14+,15+,18-,19-,20+/m1/s1",C[C@@]12CCC[C@@](C)(C(=O)O)[C@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@H](C(=O)O)C3,C20H30O4,pos_2MH,334.21440943999994,HITLMPHPGUZLGI,Terpenoids,Diterpenoids,Norkaurane diterpenoids,Tripterygium wilfordii,300831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium wilfordii'],6,0,6.0 61203,2188,-1,,,,0.0,MS1_match,HITLMPHPGUZLGI-FDBLAFQCSA-N,"InChI=1S/C20H30O4/c1-18-7-3-8-19(2,17(23)24)14(18)6-9-20-10-12(4-5-15(18)20)13(11-20)16(21)22/h12-15H,3-11H2,1-2H3,(H,21,22)(H,23,24)/t12-,13-,14+,15+,18-,19-,20+/m1/s1",C[C@@]12CCC[C@@](C)(C(=O)O)[C@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@H](C(=O)O)C3,C20H30O4,pos_2MH,334.21440943999994,HITLMPHPGUZLGI,Terpenoids,Diterpenoids,Norkaurane diterpenoids,Tripterygium wilfordii,300831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium wilfordii'],6,0,6.0 61204,2188,-1,,,,0.0,MS1_match,FKVGKCKPWUXRCC-NYRONZRESA-N,"InChI=1S/C20H30O4/c1-16-6-3-7-19(12-24-15(16)21)14(16)5-8-18-10-13(17(2,22)11-18)4-9-20(18,19)23/h13-14,22-23H,3-12H2,1-2H3/t13-,14-,16-,17-,18+,19+,20+/m1/s1",C[C@]12CCC[C@]3(COC1=O)[C@@H]2CC[C@@]12C[C@@H](CC[C@]13O)[C@](C)(O)C2,C20H30O4,pos_2MH,334.21440944,FKVGKCKPWUXRCC,Terpenoids,Diterpenoids,Norkaurane diterpenoids,Tripterygium wilfordii,300831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium wilfordii'],6,0,6.0 61205,2188,-1,,,,0.0,MS1_match,YCARJLZQBWVWFW-MRFFXTKBSA-N,"InChI=1S/C20H30O4/c1-17(2)8-6-9-19(5)13(17)7-10-20(12-15(21)18(3,4)23)14(19)11-16(22)24-20/h11,13,23H,6-10,12H2,1-5H3/t13-,19-,20-/m0/s1",CC(C)(O)C(=O)C[C@@]12CC[C@H]3C(C)(C)CCC[C@]3(C)C1=CC(=O)O2,C20H30O4,pos_2MH,334.21440944,YCARJLZQBWVWFW,Terpenoids,Diterpenoids,Norlabdane diterpenoids,Tripterygium wilfordii,300831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium wilfordii'],6,0,6.0 61206,2188,-1,,,,0.0,MS1_match,YCARJLZQBWVWFW-MRFFXTKBSA-N,"InChI=1S/C20H30O4/c1-17(2)8-6-9-19(5)13(17)7-10-20(12-15(21)18(3,4)23)14(19)11-16(22)24-20/h11,13,23H,6-10,12H2,1-5H3/t13-,19-,20-/m0/s1",CC(C)(O)C(=O)C[C@@]12CC[C@H]3C(C)(C)CCC[C@]3(C)C1=CC(=O)O2,C20H30O4,pos_2MH,334.21440944,YCARJLZQBWVWFW,Terpenoids,Diterpenoids,Norlabdane diterpenoids,Tripterygium hypoglaucum,906992.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium hypoglaucum'],6,0,6.0 61170,2184,43,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.54432476,ISDB,LLBXZZOFEUAEOM-UHFFFAOYSA-N,"InChI=1S/C11H14O4/c1-7(2)15-11(13)8-4-5-9(12)10(6-8)14-3/h4-7,12H,1-3H3",COc1cc(C(=O)OC(C)C)ccc1O,C11H14O4,,210.089208928,LLBXZZOFEUAEOM,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,Calycanthus chinensis,913239.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Calycanthaceae'],['Unknown'],['Calycanthus'],['Calycanthus chinensis'],4,1,6.6772990226745605 61161,2180,877,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.5229137,ISDB,SBJOSYJXFBWYRQ-VZNAOLJHSA-N,"InChI=1S/C20H20O7/c1-25-16-13-14(6-8-15(16)21)7-9-19(24)27-20(12-10-18(22)23)11-4-3-5-17(20)26-2/h3-13,17,21H,1-2H3,(H,22,23)/b9-7+,12-10?",COc1cc(/C=C/C(=O)OC2(C=CC(=O)O)C=CC=CC2OC)ccc1O,C20H20O7,,372.12090298,SBJOSYJXFBWYRQ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Curcuma kwangsiensis,168279.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Curcuma'],['Curcuma kwangsiensis'],4,3,7.5916547775268555 61162,2180,877,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.5229137,ISDB,SBJOSYJXFBWYRQ-VZNAOLJHSA-N,"InChI=1S/C20H20O7/c1-25-16-13-14(6-8-15(16)21)7-9-19(24)27-20(12-10-18(22)23)11-4-3-5-17(20)26-2/h3-13,17,21H,1-2H3,(H,22,23)/b9-7+,12-10?",COc1cc(/C=C/C(=O)OC2(C=CC(=O)O)C=CC=CC2OC)ccc1O,C20H20O7,,372.12090298,SBJOSYJXFBWYRQ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Curcuma chuanyujin,168353.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Curcuma'],['Curcuma chuanyujin'],4,3,7.5916547775268555 61160,2179,62,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.23603378,ISDB,YULTUTUKMKNZHP-NVTQBHAOSA-N,"InChI=1S/C17H24O7/c1-9(18)5-3-2-4-6-11-7-10-8-12(19)14(16(21)22)15(20)13(10)17(23)24-11/h8-9,11,17-20,23H,2-7H2,1H3,(H,21,22)/t9-,11+,17+/m1/s1",C[C@@H](O)CCCCC[C@H]1Cc2cc(O)c(C(=O)O)c(O)c2[C@@H](O)O1,C17H24O7,,340.152203108,YULTUTUKMKNZHP,Polyketides,Chromanes,Azaphilones,Penicillium corylophilum,724251.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Penicillium'],['Penicillium corylophilum'],1,0,1.9441351294517517 61150,2178,94,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.38668522,ISDB,ZYSZYRLNZATAPP-UHFFFAOYSA-N,"InChI=1S/C20H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(23)24-18-19(22)17-21/h12-13,19,21-22H,2-11,14-18H2,1H3",CCCCCCCCCCCC=CCCCC(=O)OCC(O)CO,C20H38O4,,342.27700969599994,ZYSZYRLNZATAPP,Fatty acids,Glycerolipids,Monoacylglycerols,Foeniculum vulgare,498475.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Apieae'],['Foeniculum'],['Foeniculum vulgare'],4,1,6.046740889549255 61146,2177,-1,,,,0.3599206,ISDB,TWBGKCDUZOAOPO-RUZDIDTESA-N,"InChI=1S/C26H46O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(28-3)24-22-23(2)29-26(24)27/h22,25H,2,4-21H2,1,3H3/t25-/m1/s1",C=C1C=C([C@@H](CCCCCCCCCCCCCCCCCCC)OC)C(=O)O1,C26H46O3,,406.344695332,TWBGKCDUZOAOPO,Polyketides,,,Cinnamomum tenuifolium,5699220.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum tenuifolium'],4,0,5.439682364463806 61144,2176,-1,,,,0.0,MS1_match,HKMDHBXRMZEVHY-UHFFFAOYSA-N,"InChI=1S/C16H26O8/c1-7-8-3-4-16(2,9(8)6-22-14(7)21)24-15-13(20)12(19)11(18)10(5-17)23-15/h7-13,15,17-20H,3-6H2,1-2H3",CC1C(=O)OCC2C1CCC2(C)OC1OC(CO)C(O)C(O)C1O,C16H26O8,pos_1_sodium,346.1627677919999,HKMDHBXRMZEVHY,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia scabra,68239.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia scabra'],6,0,6.0 61145,2176,-1,,,,0.0,MS1_match,PLSSBWGEYMENGJ-XLIFQNPRSA-N,"InChI=1S/C16H26O8/c1-7-2-3-9-8(5-22-15(21)11(7)9)6-23-16-14(20)13(19)12(18)10(4-17)24-16/h7-14,16-20H,2-6H2,1H3/t7-,8+,9+,10+,11+,12+,13+,14-,16+/m0/s1",C[C@H]1CC[C@@H]2[C@@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)COC(=O)[C@@H]21,C16H26O8,pos_1_sodium,346.162767792,PLSSBWGEYMENGJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia villosa,971855.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia villosa'],6,0,6.0 61143,2174,25,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,ATFJUGCMEQBNLH-UHFFFAOYSA-N,"InChI=1S/C10H14O5/c1-10-6(12)2-4-5(3-11)9(15-10)14-8(13)7(4)10/h4-7,9,11-12H,2-3H2,1H3",CC12OC3OC(=O)C1C(CC2O)C3CO,C10H14O5,pos_2MHNH3,214.084123548,ATFJUGCMEQBNLH,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,3,7.5 61114,2171,1,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LPOVXLVQNSEZGE-PMRPVAAPSA-N,"InChI=1S/C17H24O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,10-14,16-18,20-22H,3-4H2,1-2H3/t6-,7+,10+,11+,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1CC(=O)[C@@H]2C,C17H24O10,pos_1_1proton1ammonium,388.1369469679999,LPOVXLVQNSEZGE,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera morrowii,484242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],7,3,8.5 61121,2171,1,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LPOVXLVQNSEZGE-UHFFFAOYSA-N,"InChI=1S/C17H24O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,10-14,16-18,20-22H,3-4H2,1-2H3",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(C)C(=O)CC12,C17H24O10,pos_1_1proton1ammonium,388.1369469679999,LPOVXLVQNSEZGE,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],7,3,8.5 61123,2171,1,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LPOVXLVQNSEZGE-UHFFFAOYSA-N,"InChI=1S/C17H24O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,10-14,16-18,20-22H,3-4H2,1-2H3",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(C)C(=O)CC12,C17H24O10,pos_1_1proton1ammonium,388.1369469679999,LPOVXLVQNSEZGE,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],7,3,8.5 61126,2171,1,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LPOVXLVQNSEZGE-PMRPVAAPSA-N,"InChI=1S/C17H24O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,10-14,16-18,20-22H,3-4H2,1-2H3/t6-,7+,10+,11+,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1CC(=O)[C@@H]2C,C17H24O10,pos_1_1proton1ammonium,388.1369469679999,LPOVXLVQNSEZGE,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera morrowii,484242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],7,3,8.5 61091,2169,-1,,,,0.5893819,ISDB,OMHJQGZJZUFMMT-AJHRVBBASA-N,"InChI=1S/C27H34O3/c28-19-11-8-17(9-12-19)6-4-2-1-3-5-7-20-21-14-15-22-23(27(29)30)13-10-18-16-24(20)26(21)25(18)22/h8-15,18,20-26,28H,1-7,16H2,(H,29,30)/t18-,20-,21-,22+,23-,24+,25-,26-/m1/s1",O=C(O)[C@@H]1C=C[C@@H]2C[C@H]3[C@H](CCCCCCCc4ccc(O)cc4)[C@H]4C=C[C@@H]1[C@@H]2[C@H]43,C27H34O3,,406.250794948,OMHJQGZJZUFMMT,,,,Beilschmiedia ferruginea,6025446.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Beilschmiedia'],['Beilschmiedia ferruginea'],4,0,6.357527494430542 61047,2168,-1,,,,0.0,MS1_match,CSKKDSFETGLMSB-QOMIBOLPSA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11-,12-,13+,14-,16+,17-/m1/s1",C=C[C@H]1[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC=O,C17H24O10,pos_1_1potassium,388.136946968,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera periclymenum,811893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera periclymenum'],8,0,8.0 61048,2168,-1,,,,0.0,MS1_match,CSKKDSFETGLMSB-QOMIBOLPSA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11-,12-,13+,14-,16+,17-/m1/s1",C=C[C@H]1[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC=O,C17H24O10,pos_1_1potassium,388.136946968,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera periclymenum,811893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera periclymenum'],8,0,8.0 61036,2163,-1,,,,0.0,MS1_match,KNFOHFRALRKTOJ-SAOYRWCPSA-N,"InChI=1S/C26H34O11/c1-33-19-8-13(3-5-17(19)29)7-15-12-35-25(16(15)10-27)14-4-6-18(20(9-14)34-2)36-26-24(32)23(31)22(30)21(11-28)37-26/h3-6,8-9,15-16,21-32H,7,10-12H2,1-2H3/t15-,16-,21+,22+,23-,24+,25+,26+/m0/s1",COc1cc(C[C@H]2CO[C@H](c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c3)[C@H]2CO)ccc1O,C26H34O11,pos_1_sodium,522.2101119079998,KNFOHFRALRKTOJ,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Clematis stans,21283.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis stans'],8,0,8.0 61037,2163,-1,,,,0.0,MS1_match,KNFOHFRALRKTOJ-DTIHIKGDSA-N,"InChI=1S/C26H34O11/c1-33-19-8-13(3-5-17(19)29)7-15-12-35-25(16(15)10-27)14-4-6-18(20(9-14)34-2)36-26-24(32)23(31)22(30)21(11-28)37-26/h3-6,8-9,15-16,21-32H,7,10-12H2,1-2H3/t15-,16-,21-,22-,23+,24-,25+,26-/m1/s1",COc1cc(C[C@@H]2CO[C@@H](c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c3)[C@@H]2CO)ccc1O,C26H34O11,pos_1_sodium,522.2101119079998,KNFOHFRALRKTOJ,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Clematis hexapetala,226633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis hexapetala'],8,0,8.0 61038,2163,-1,,,,0.0,MS1_match,GAYKAIAESJROGN-SAOYRWCPSA-N,"InChI=1S/C26H34O11/c1-33-19-9-14(4-5-17(19)29)25-16(10-27)15(12-35-25)7-13-3-6-18(20(8-13)34-2)36-26-24(32)23(31)22(30)21(11-28)37-26/h3-6,8-9,15-16,21-32H,7,10-12H2,1-2H3/t15-,16-,21+,22+,23-,24+,25+,26+/m0/s1",COc1cc([C@H]2OC[C@H](Cc3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c3)[C@@H]2CO)ccc1O,C26H34O11,pos_1_sodium,522.2101119079998,GAYKAIAESJROGN,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Clematis stans,21283.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis stans'],8,0,8.0 61039,2163,-1,,,,0.0,MS1_match,GAYKAIAESJROGN-DTIHIKGDSA-N,"InChI=1S/C26H34O11/c1-33-19-9-14(4-5-17(19)29)25-16(10-27)15(12-35-25)7-13-3-6-18(20(8-13)34-2)36-26-24(32)23(31)22(30)21(11-28)37-26/h3-6,8-9,15-16,21-32H,7,10-12H2,1-2H3/t15-,16-,21-,22-,23+,24-,25+,26-/m1/s1",COc1cc([C@@H]2OC[C@@H](Cc3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c3)[C@H]2CO)ccc1O,C26H34O11,pos_1_sodium,522.210111908,GAYKAIAESJROGN,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Clematis hexapetala,226633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis hexapetala'],8,0,8.0 61040,2163,-1,,,,0.0,MS1_match,GAYKAIAESJROGN-SAOYRWCPSA-N,"InChI=1S/C26H34O11/c1-33-19-9-14(4-5-17(19)29)25-16(10-27)15(12-35-25)7-13-3-6-18(20(8-13)34-2)36-26-24(32)23(31)22(30)21(11-28)37-26/h3-6,8-9,15-16,21-32H,7,10-12H2,1-2H3/t15-,16-,21+,22+,23-,24+,25+,26+/m0/s1",COc1cc([C@H]2OC[C@H](Cc3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c3)[C@@H]2CO)ccc1O,C26H34O11,pos_1_sodium,522.2101119079998,GAYKAIAESJROGN,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Clematis stans,21283.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis stans'],8,0,8.0 61041,2163,-1,,,,0.0,MS1_match,GAYKAIAESJROGN-DTIHIKGDSA-N,"InChI=1S/C26H34O11/c1-33-19-9-14(4-5-17(19)29)25-16(10-27)15(12-35-25)7-13-3-6-18(20(8-13)34-2)36-26-24(32)23(31)22(30)21(11-28)37-26/h3-6,8-9,15-16,21-32H,7,10-12H2,1-2H3/t15-,16-,21-,22-,23+,24-,25+,26-/m1/s1",COc1cc([C@@H]2OC[C@@H](Cc3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c3)[C@H]2CO)ccc1O,C26H34O11,pos_1_sodium,522.210111908,GAYKAIAESJROGN,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Clematis hexapetala,226633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis hexapetala'],8,0,8.0 61033,2160,-1,,,,0.0,MS1_match,YEBHGSMKFNGICI-BUTDWOEESA-N,"InChI=1S/C38H62O11/c1-19-16-22(29(47-20(2)39)33(5,6)45-9)49-38(44)28(19)34(7)14-15-37-18-36(37)13-12-25(48-30-27(42)26(41)21(40)17-46-30)32(3,4)23(36)10-11-24(37)35(34,8)31(38)43/h19,21-31,40-44H,10-18H2,1-9H3/t19-,21-,22-,23+,24+,25+,26+,27-,28-,29+,30+,31-,34-,35-,36-,37+,38-/m1/s1",COC(C)(C)[C@@H](OC(C)=O)[C@H]1C[C@@H](C)[C@H]2[C@@](O)(O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)CC[C@@]45C[C@@]35CC[C@]21C,C38H62O11,pos_1_1proton1ammonium,694.429212804,YEBHGSMKFNGICI,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Actaea yunnanensis,512689.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea yunnanensis'],6,0,6.0 61034,2160,-1,,,,0.0,MS1_match,YEBHGSMKFNGICI-BUTDWOEESA-N,"InChI=1S/C38H62O11/c1-19-16-22(29(47-20(2)39)33(5,6)45-9)49-38(44)28(19)34(7)14-15-37-18-36(37)13-12-25(48-30-27(42)26(41)21(40)17-46-30)32(3,4)23(36)10-11-24(37)35(34,8)31(38)43/h19,21-31,40-44H,10-18H2,1-9H3/t19-,21-,22-,23+,24+,25+,26+,27-,28-,29+,30+,31-,34-,35-,36-,37+,38-/m1/s1",COC(C)(C)[C@@H](OC(C)=O)[C@H]1C[C@@H](C)[C@H]2[C@@](O)(O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)CC[C@@]45C[C@@]35CC[C@]21C,C38H62O11,pos_1_1proton1ammonium,694.429212804,YEBHGSMKFNGICI,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Actaea simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],6,0,6.0 61035,2160,-1,,,,0.0,MS1_match,YEBHGSMKFNGICI-BUTDWOEESA-N,"InChI=1S/C38H62O11/c1-19-16-22(29(47-20(2)39)33(5,6)45-9)49-38(44)28(19)34(7)14-15-37-18-36(37)13-12-25(48-30-27(42)26(41)21(40)17-46-30)32(3,4)23(36)10-11-24(37)35(34,8)31(38)43/h19,21-31,40-44H,10-18H2,1-9H3/t19-,21-,22-,23+,24+,25+,26+,27-,28-,29+,30+,31-,34-,35-,36-,37+,38-/m1/s1",COC(C)(C)[C@@H](OC(C)=O)[C@H]1C[C@@H](C)[C@H]2[C@@](O)(O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)CC[C@@]45C[C@@]35CC[C@]21C,C38H62O11,pos_1_1proton1ammonium,694.429212804,YEBHGSMKFNGICI,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Cimicifuga simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],6,0,6.0 61013,2159,62,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.6953181,ISDB,KVRQQFBSAHPTAB-ATLLRHMBSA-N,"InChI=1S/C11H18O9/c1-4(5(14)2-12)10(18)20-11-9(17)8(16)7(15)6(3-13)19-11/h5-9,11-17H,1-3H2/t5-,6-,7-,8+,9-,11+/m1/s1",C=C(C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)CO,C11H18O9,,294.095082156,KVRQQFBSAHPTAB,Fatty acids,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,Tulipa gesneriana,878707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Liliales'],['Liliaceae'],['Unknown'],['Tulipa'],['Tulipa gesneriana'],4,0,6.7812724113464355 61012,2157,-1,,,,0.0,MS1_match,XLZRRNWHQQRALT-PEVLUNPASA-N,"InChI=1S/C21H24O10/c1-9-4-12(23)16-13(24)5-14-11(20(16)30-9)3-2-10(7-28-14)8-29-21-19(27)18(26)17(25)15(6-22)31-21/h2,4-5,15,17-19,21-22,24-27H,3,6-8H2,1H3/t15-,17-,18+,19-,21-/m1/s1",Cc1cc(=O)c2c(O)cc3c(c2o1)CC=C(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CO3,C21H24O10,pos_1_1proton,436.136946968,XLZRRNWHQQRALT,Polyketides,Chromanes,Chromones,Eranthis hyemalis,756503.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Eranthis'],['Eranthis hyemalis'],6,0,6.0 60987,2147,528,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.3586111,ISDB,YCBFPRSZKYUJNI-DPZMMSJYSA-N,"InChI=1S/C21H36O8/c1-10(2)11-7-14-20(3,8-12(11)23)6-5-15(21(14,4)27)29-19-18(26)17(25)16(24)13(9-22)28-19/h11-19,22-27H,1,5-9H2,2-4H3/t11-,12+,13+,14+,15-,16+,17-,18+,19-,20+,21-/m0/s1",C=C(C)[C@@H]1C[C@@H]2[C@](C)(CC[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@]2(C)O)C[C@H]1O,C21H36O8,,416.241018112,YCBFPRSZKYUJNI,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Tessaria integrifolia,705691.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Tessaria'],['Tessaria integrifolia'],4,3,6.934444427490234 60986,2144,-1,,,,0.0,MS1_match,YVZJSSFXXNLBHY-LNBDOPGKSA-N,"InChI=1S/C48H78O16/c1-9-26-32(51)35(54)37(56)40(61-26)62-27-21-59-41(38(33(27)52)64-39-36(55)34(53)31(50)23(2)60-39)63-30-13-14-44(5)28(45(30,6)22-49)12-15-47(8)29(44)11-10-24-25-20-43(3,4)16-18-48(25,42(57)58)19-17-46(24,47)7/h10,23,25-41,49-56H,9,11-22H2,1-8H3,(H,57,58)/t23-,25-,26+,27-,28+,29+,30-,31-,32+,33-,34+,35-,36+,37+,38+,39-,40-,41-,44-,45-,46+,47+,48-/m0/s1",CC[C@H]1O[C@@H](O[C@H]2CO[C@@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)CC[C@]6(C(=O)O)CC[C@]45C)[C@]3(C)CO)[C@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,C48H78O16,pos_2_1proton1potassium,910.528986416,YVZJSSFXXNLBHY,Terpenoids,Triterpenoids,Oleanane triterpenoids,Anemone taipaiensis,6131031.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Anemone'],['Anemone taipaiensis'],7,0,7.0 60940,2143,660,Terpenoids,Steroids,Cholestane steroids,0.0,MS1_match,UPJVQRZPXLZUET-KGHQQZOUSA-N,"InChI=1S/C28H46O3/c1-18(2)19(3)7-8-20(4)22-9-10-23-25(22,5)13-12-24-26(6)14-11-21(29)17-27(26,30)15-16-28(23,24)31/h7-8,15-16,18-24,29-31H,9-14,17H2,1-6H3/b8-7+/t19-,20+,21-,22+,23+,24+,25+,26+,27+,28-/m0/s1",CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@]3(O)C=C[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C28H46O3,pos_1_1proton1methanol,430.344695332,UPJVQRZPXLZUET,Terpenoids,Steroids,Cholestane steroids,Patrinia rupestris,1035977.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia rupestris'],6,3,7.5 60882,2142,455,Terpenoids,Tyrosine alkaloids,Oleanane triterpenoids,0.0,MS1_match,KEOITPILCOILGM-LLJOFIFVSA-N,"InChI=1S/C41H66O12/c1-21-28(44)30(46)31(47)33(51-21)53-32-29(45)24(43)19-50-34(32)52-27-11-12-37(4)25(38(27,5)20-42)10-13-40(7)26(37)9-8-22-23-18-36(2,3)14-16-41(23,35(48)49)17-15-39(22,40)6/h8,21,23-34,42-47H,9-20H2,1-7H3,(H,48,49)/t21-,23-,24-,25+,26+,27-,28-,29-,30+,31+,32+,33-,34-,37-,38-,39+,40+,41-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)CC[C@]6(C(=O)O)CC[C@]45C)[C@]3(C)CO)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C41H66O12,pos_2_2proton,750.4554275520003,KEOITPILCOILGM,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis tangutica,21285.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tangutica'],8,3,9.5 60883,2142,455,Terpenoids,Tyrosine alkaloids,Oleanane triterpenoids,0.0,MS1_match,GXWUEMSASMVWKO-LFGJQLCQSA-N,"InChI=1S/C41H66O12/c1-36(2)14-16-41(35(48)49)17-15-39(6)21(22(41)18-36)8-9-26-38(5)12-11-27(37(3,4)25(38)10-13-40(26,39)7)52-34-32(28(44)23(43)20-50-34)53-33-31(47)30(46)29(45)24(19-42)51-33/h8,22-34,42-47H,9-20H2,1-7H3,(H,48,49)/t22-,23-,24+,25-,26+,27-,28-,29+,30-,31+,32+,33-,34-,38-,39+,40+,41-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C41H66O12,pos_2_2proton,750.4554275520002,GXWUEMSASMVWKO,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis tangutica,21285.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tangutica'],8,3,9.5 60884,2142,455,Terpenoids,Tyrosine alkaloids,Oleanane triterpenoids,0.0,MS1_match,KEOITPILCOILGM-LLJOFIFVSA-N,"InChI=1S/C41H66O12/c1-21-28(44)30(46)31(47)33(51-21)53-32-29(45)24(43)19-50-34(32)52-27-11-12-37(4)25(38(27,5)20-42)10-13-40(7)26(37)9-8-22-23-18-36(2,3)14-16-41(23,35(48)49)17-15-39(22,40)6/h8,21,23-34,42-47H,9-20H2,1-7H3,(H,48,49)/t21-,23-,24-,25+,26+,27-,28-,29-,30+,31+,32+,33-,34-,37-,38-,39+,40+,41-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)CC[C@]6(C(=O)O)CC[C@]45C)[C@]3(C)CO)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C41H66O12,pos_2_2proton,750.4554275520003,KEOITPILCOILGM,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis orientalis,594147.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis orientalis'],8,3,9.5 60885,2142,455,Terpenoids,Tyrosine alkaloids,Oleanane triterpenoids,0.0,MS1_match,JIAZWFZSNYBPNC-UHFFFAOYSA-N,"InChI=1S/C41H66O12/c1-21-28(44)30(46)32(48)34(51-21)53-35(49)41-16-14-36(2,3)18-23(41)22-8-9-26-37(4)12-11-27(52-33-31(47)29(45)24(43)19-50-33)38(5,20-42)25(37)10-13-40(26,7)39(22,6)15-17-41/h8,21,23-34,42-48H,9-20H2,1-7H3",CC1OC(OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CCC(OC6OCC(O)C(O)C6O)C(C)(CO)C5CCC4(C)C2(C)CC3)C(O)C(O)C1O,C41H66O12,pos_2_2proton,750.455427552,JIAZWFZSNYBPNC,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis tangutica,21285.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tangutica'],8,3,9.5 60886,2142,455,Terpenoids,Tyrosine alkaloids,Oleanane triterpenoids,0.0,MS1_match,GXWUEMSASMVWKO-LFGJQLCQSA-N,"InChI=1S/C41H66O12/c1-36(2)14-16-41(35(48)49)17-15-39(6)21(22(41)18-36)8-9-26-38(5)12-11-27(37(3,4)25(38)10-13-40(26,39)7)52-34-32(28(44)23(43)20-50-34)53-33-31(47)30(46)29(45)24(19-42)51-33/h8,22-34,42-47H,9-20H2,1-7H3,(H,48,49)/t22-,23-,24+,25-,26+,27-,28-,29+,30-,31+,32+,33-,34-,38-,39+,40+,41-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C41H66O12,pos_2_2proton,750.4554275520002,GXWUEMSASMVWKO,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis tangutica,21285.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tangutica'],8,3,9.5 60888,2142,455,Terpenoids,Tyrosine alkaloids,Oleanane triterpenoids,0.0,MS1_match,GXWUEMSASMVWKO-LFGJQLCQSA-N,"InChI=1S/C41H66O12/c1-36(2)14-16-41(35(48)49)17-15-39(6)21(22(41)18-36)8-9-26-38(5)12-11-27(37(3,4)25(38)10-13-40(26,39)7)52-34-32(28(44)23(43)20-50-34)53-33-31(47)30(46)29(45)24(19-42)51-33/h8,22-34,42-47H,9-20H2,1-7H3,(H,48,49)/t22-,23-,24+,25-,26+,27-,28-,29+,30-,31+,32+,33-,34-,38-,39+,40+,41-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C41H66O12,pos_2_2proton,750.4554275520002,GXWUEMSASMVWKO,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis tangutica,21285.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tangutica'],8,3,9.5 60889,2142,455,Terpenoids,Tyrosine alkaloids,Oleanane triterpenoids,0.0,MS1_match,KEOITPILCOILGM-ATMJNGMXSA-N,"InChI=1S/C41H66O12/c1-21-28(44)30(46)31(47)33(51-21)53-32-29(45)24(43)19-50-34(32)52-27-11-12-37(4)25(38(27,5)20-42)10-13-40(7)26(37)9-8-22-23-18-36(2,3)14-16-41(23,35(48)49)17-15-39(22,40)6/h8,21,23-34,42-47H,9-20H2,1-7H3,(H,48,49)/t21-,23+,24-,25+,26+,27-,28-,29-,30+,31+,32+,33-,34-,37-,38-,39+,40+,41-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C4[C@H]6CC(C)(C)CC[C@]6(C(=O)O)CC[C@]45C)[C@]3(C)CO)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C41H66O12,pos_2_2proton,750.455427552,KEOITPILCOILGM,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis chinensis,841986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis chinensis'],8,3,9.5 60890,2142,455,Terpenoids,Tyrosine alkaloids,Oleanane triterpenoids,0.0,MS1_match,KEOITPILCOILGM-LLJOFIFVSA-N,"InChI=1S/C41H66O12/c1-21-28(44)30(46)31(47)33(51-21)53-32-29(45)24(43)19-50-34(32)52-27-11-12-37(4)25(38(27,5)20-42)10-13-40(7)26(37)9-8-22-23-18-36(2,3)14-16-41(23,35(48)49)17-15-39(22,40)6/h8,21,23-34,42-47H,9-20H2,1-7H3,(H,48,49)/t21-,23-,24-,25+,26+,27-,28-,29-,30+,31+,32+,33-,34-,37-,38-,39+,40+,41-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)CC[C@]6(C(=O)O)CC[C@]45C)[C@]3(C)CO)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C41H66O12,pos_2_2proton,750.4554275520003,KEOITPILCOILGM,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis tangutica,21285.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tangutica'],8,3,9.5 60891,2142,455,Terpenoids,Tyrosine alkaloids,Oleanane triterpenoids,0.0,MS1_match,KEOITPILCOILGM-LLJOFIFVSA-N,"InChI=1S/C41H66O12/c1-21-28(44)30(46)31(47)33(51-21)53-32-29(45)24(43)19-50-34(32)52-27-11-12-37(4)25(38(27,5)20-42)10-13-40(7)26(37)9-8-22-23-18-36(2,3)14-16-41(23,35(48)49)17-15-39(22,40)6/h8,21,23-34,42-47H,9-20H2,1-7H3,(H,48,49)/t21-,23-,24-,25+,26+,27-,28-,29-,30+,31+,32+,33-,34-,37-,38-,39+,40+,41-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)CC[C@]6(C(=O)O)CC[C@]45C)[C@]3(C)CO)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C41H66O12,pos_2_2proton,750.4554275520003,KEOITPILCOILGM,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis orientalis,594147.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis orientalis'],8,3,9.5 60892,2142,455,Terpenoids,Tyrosine alkaloids,Oleanane triterpenoids,0.0,MS1_match,KEOITPILCOILGM-ATMJNGMXSA-N,"InChI=1S/C41H66O12/c1-21-28(44)30(46)31(47)33(51-21)53-32-29(45)24(43)19-50-34(32)52-27-11-12-37(4)25(38(27,5)20-42)10-13-40(7)26(37)9-8-22-23-18-36(2,3)14-16-41(23,35(48)49)17-15-39(22,40)6/h8,21,23-34,42-47H,9-20H2,1-7H3,(H,48,49)/t21-,23+,24-,25+,26+,27-,28-,29-,30+,31+,32+,33-,34-,37-,38-,39+,40+,41-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C4[C@H]6CC(C)(C)CC[C@]6(C(=O)O)CC[C@]45C)[C@]3(C)CO)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C41H66O12,pos_2_2proton,750.455427552,KEOITPILCOILGM,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis chinensis,841986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis chinensis'],8,3,9.5 60893,2142,455,Terpenoids,Tyrosine alkaloids,Oleanane triterpenoids,0.0,MS1_match,KEOITPILCOILGM-FCWYPSSHSA-N,"InChI=1S/C41H66O12/c1-21-28(44)30(46)31(47)33(51-21)53-32-29(45)24(43)19-50-34(32)52-27-11-12-37(4)25(38(27,5)20-42)10-13-40(7)26(37)9-8-22-23-18-36(2,3)14-16-41(23,35(48)49)17-15-39(22,40)6/h8,21,23-34,42-47H,9-20H2,1-7H3,(H,48,49)/t21-,23-,24+,25+,26+,27-,28-,29+,30-,31+,32-,33-,34+,37-,38-,39+,40+,41-/m0/s1",C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)CC[C@]6(C(=O)O)CC[C@]45C)[C@]3(C)CO)OC[C@@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O,C41H66O12,pos_2_2proton,750.455427552,KEOITPILCOILGM,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis tibetana,972666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tibetana'],8,3,9.5 60894,2142,455,Terpenoids,Tyrosine alkaloids,Oleanane triterpenoids,0.0,MS1_match,KEOITPILCOILGM-FCWYPSSHSA-N,"InChI=1S/C41H66O12/c1-21-28(44)30(46)31(47)33(51-21)53-32-29(45)24(43)19-50-34(32)52-27-11-12-37(4)25(38(27,5)20-42)10-13-40(7)26(37)9-8-22-23-18-36(2,3)14-16-41(23,35(48)49)17-15-39(22,40)6/h8,21,23-34,42-47H,9-20H2,1-7H3,(H,48,49)/t21-,23-,24+,25+,26+,27-,28-,29+,30-,31+,32-,33-,34+,37-,38-,39+,40+,41-/m0/s1",C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)CC[C@]6(C(=O)O)CC[C@]45C)[C@]3(C)CO)OC[C@@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O,C41H66O12,pos_2_2proton,750.455427552,KEOITPILCOILGM,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis tibetana,972666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tibetana'],8,3,9.5 60857,2140,729,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.744033,ISDB,RYFIRWYAAYKJJZ-YFOZGACTSA-N,"InChI=1S/C36H36O18/c1-14-33(54-36-31(47)28(44)26(42)23(53-36)13-49-24(41)9-3-15-2-8-19(38)20(39)10-15)30(46)32(48)35(50-14)51-18-11-21(40)25-22(12-18)52-34(29(45)27(25)43)16-4-6-17(37)7-5-16/h2-12,14,23,26,28,30-33,35-40,42,44-48H,13H2,1H3/b9-3+/t14-,23+,26+,28-,30-,31+,32+,33-,35-,36-/m0/s1",C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O)c(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](COC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](O)[C@H](O)[C@H]1O,C36H36O18,,756.190164312,RYFIRWYAAYKJJZ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rorippa indica,341724.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Cardamineae'],['Rorippa'],['Rorippa indica'],4,3,8.476131916046143 60854,2138,477,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,JDYWIMCSAUNOHC-OOLFRTMQSA-N,"InChI=1S/C47H80O18/c1-21(8-11-28(50)42(3,4)59)30-24(63-41-38(58)35(55)33(53)25(64-41)18-61-39-37(57)34(54)31(51)22(2)62-39)16-45(7)27-10-9-26-43(5,20-48)29(65-40-36(56)32(52)23(49)17-60-40)12-13-46(26)19-47(27,46)15-14-44(30,45)6/h21-41,48-59H,8-20H2,1-7H3/t21-,22+,23+,24+,25-,26+,27+,28+,29+,30?,31+,32+,33-,34-,35+,36-,37-,38-,39-,40+,41-,43-,44-,45+,46-,47+/m1/s1",C[C@H](CC[C@H](O)C(C)(C)O)C1[C@@H](O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@@](C)(CO)[C@@H](O[C@@H]5OC[C@H](O)[C@H](O)[C@H]5O)CC[C@@]45C[C@@]35CC[C@]12C,C47H80O18,pos_2_1proton1sodium,932.53446572,JDYWIMCSAUNOHC,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Thalictrum foetidum,98303.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum foetidum'],6,1,6.5 60810,2137,-1,,,,0.0,MS1_match,CSKKDSFETGLMSB-QOMIBOLPSA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11-,12-,13+,14-,16+,17-/m1/s1",C=C[C@H]1[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC=O,C17H24O10,pos_1_sodium,388.136946968,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera periclymenum,811893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera periclymenum'],8,0,8.0 60811,2137,-1,,,,0.0,MS1_match,CSKKDSFETGLMSB-QOMIBOLPSA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11-,12-,13+,14-,16+,17-/m1/s1",C=C[C@H]1[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC=O,C17H24O10,pos_1_sodium,388.136946968,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera periclymenum,811893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera periclymenum'],8,0,8.0 60796,2135,72,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.21614154,ISDB,UPNWIBPHYOJXOA-BWALXXMCSA-N,"InChI=1S/C46H89NO10/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-39(50)45(55)47-37(36-56-46-44(54)43(53)42(52)40(35-48)57-46)41(51)38(49)33-31-29-27-25-23-16-14-12-10-8-6-4-2/h25,27,37-44,46,48-54H,3-24,26,28-36H2,1-2H3,(H,47,55)/b27-25+/t37-,38+,39+,40+,41-,42+,43-,44+,46+/m0/s1",CCCCCCCCC/C=C/CCC[C@@H](O)[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCCCCCCCC,C46H89NO10,,815.648648048,UPNWIBPHYOJXOA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Juglans mandshurica,70093.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Juglandaceae'],['Unknown'],['Juglans'],['Juglans mandshurica'],4,3,6.364566147327423 60797,2135,72,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.21614154,ISDB,UPNWIBPHYOJXOA-YDZHOCLMSA-N,"InChI=1S/C46H89NO10/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-39(50)45(55)47-37(36-56-46-44(54)43(53)42(52)40(35-48)57-46)41(51)38(49)33-31-29-27-25-23-16-14-12-10-8-6-4-2/h25,27,37-44,46,48-54H,3-24,26,28-36H2,1-2H3,(H,47,55)/b27-25-/t37-,38+,39+,40+,41-,42+,43-,44+,46+/m0/s1",CCCCCCCCC/C=C\CCC[C@@H](O)[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCCCCCCCC,C46H89NO10,,815.6486480479999,UPNWIBPHYOJXOA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Euphorbia nicaeensis,181008.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia nicaeensis'],4,3,6.364566147327423 60798,2135,72,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.21614154,ISDB,UPNWIBPHYOJXOA-BWALXXMCSA-N,"InChI=1S/C46H89NO10/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-39(50)45(55)47-37(36-56-46-44(54)43(53)42(52)40(35-48)57-46)41(51)38(49)33-31-29-27-25-23-16-14-12-10-8-6-4-2/h25,27,37-44,46,48-54H,3-24,26,28-36H2,1-2H3,(H,47,55)/b27-25+/t37-,38+,39+,40+,41-,42+,43-,44+,46+/m0/s1",CCCCCCCCC/C=C/CCC[C@@H](O)[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCCCCCCCC,C46H89NO10,,815.648648048,UPNWIBPHYOJXOA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],4,3,6.364566147327423 60799,2135,72,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.21614154,ISDB,UPNWIBPHYOJXOA-YDZHOCLMSA-N,"InChI=1S/C46H89NO10/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-39(50)45(55)47-37(36-56-46-44(54)43(53)42(52)40(35-48)57-46)41(51)38(49)33-31-29-27-25-23-16-14-12-10-8-6-4-2/h25,27,37-44,46,48-54H,3-24,26,28-36H2,1-2H3,(H,47,55)/b27-25-/t37-,38+,39+,40+,41-,42+,43-,44+,46+/m0/s1",CCCCCCCCC/C=C\CCC[C@@H](O)[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCCCCCCCC,C46H89NO10,,815.6486480479999,UPNWIBPHYOJXOA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Craibiodendron yunnanense,369596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ericaceae'],['Lyonieae'],['Craibiodendron'],['Craibiodendron yunnanense'],4,3,6.364566147327423 60800,2135,72,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.21614154,ISDB,UPNWIBPHYOJXOA-DGJSVMKESA-N,"InChI=1S/C46H89NO10/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-39(50)45(55)47-37(36-56-46-44(54)43(53)42(52)40(35-48)57-46)41(51)38(49)33-31-29-27-25-23-16-14-12-10-8-6-4-2/h25,27,37-44,46,48-54H,3-24,26,28-36H2,1-2H3,(H,47,55)/b27-25-/t37-,38+,39+,40+,41-,42-,43-,44+,46+/m0/s1",CCCCCCCCC/C=C\CCC[C@@H](O)[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCCCCCCCC,C46H89NO10,,815.648648048,UPNWIBPHYOJXOA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Euphorbia peplis,587391.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia peplis'],4,3,6.364566147327423 60801,2135,72,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.21614154,ISDB,UPNWIBPHYOJXOA-DGJSVMKESA-N,"InChI=1S/C46H89NO10/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-39(50)45(55)47-37(36-56-46-44(54)43(53)42(52)40(35-48)57-46)41(51)38(49)33-31-29-27-25-23-16-14-12-10-8-6-4-2/h25,27,37-44,46,48-54H,3-24,26,28-36H2,1-2H3,(H,47,55)/b27-25-/t37-,38+,39+,40+,41-,42-,43-,44+,46+/m0/s1",CCCCCCCCC/C=C\CCC[C@@H](O)[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCCCCCCCC,C46H89NO10,,815.648648048,UPNWIBPHYOJXOA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Euphorbia peplus,871281.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia peplus'],4,3,6.364566147327423 60802,2135,72,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.21614154,ISDB,UPNWIBPHYOJXOA-YDZHOCLMSA-N,"InChI=1S/C46H89NO10/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-39(50)45(55)47-37(36-56-46-44(54)43(53)42(52)40(35-48)57-46)41(51)38(49)33-31-29-27-25-23-16-14-12-10-8-6-4-2/h25,27,37-44,46,48-54H,3-24,26,28-36H2,1-2H3,(H,47,55)/b27-25-/t37-,38+,39+,40+,41-,42+,43-,44+,46+/m0/s1",CCCCCCCCC/C=C\CCC[C@@H](O)[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCCCCCCCC,C46H89NO10,,815.6486480479999,UPNWIBPHYOJXOA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Ocimum tenuiflorum,782204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Ocimeae'],['Ocimum'],['Ocimum tenuiflorum'],4,3,6.364566147327423 60803,2135,72,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.21614154,ISDB,UPNWIBPHYOJXOA-BWALXXMCSA-N,"InChI=1S/C46H89NO10/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-39(50)45(55)47-37(36-56-46-44(54)43(53)42(52)40(35-48)57-46)41(51)38(49)33-31-29-27-25-23-16-14-12-10-8-6-4-2/h25,27,37-44,46,48-54H,3-24,26,28-36H2,1-2H3,(H,47,55)/b27-25+/t37-,38+,39+,40+,41-,42+,43-,44+,46+/m0/s1",CCCCCCCCC/C=C/CCC[C@@H](O)[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCCCCCCCC,C46H89NO10,,815.648648048,UPNWIBPHYOJXOA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Rhaponticum chinense,27810.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Klaseopsis'],['Klaseopsis chinensis'],4,3,6.364566147327423 60794,2126,765,Terpenoids,,,0.381776,ISDB,DDMIPYQLIZVPJH-CCPSRCKYSA-N,"InChI=1S/C19H28O8/c1-10-4-5-19(27-10)11(6-12(21)7-18(19,2)3)9-25-17-16(24)15(23)14(22)13(8-20)26-17/h4-6,10,13-17,20,22-24H,7-9H2,1-3H3/t10-,13-,14-,15+,16-,17-,19-/m1/s1",C[C@@H]1C=C[C@@]2(O1)C(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=CC(=O)CC2(C)C,C19H28O8,,384.178417856,DDMIPYQLIZVPJH,Terpenoids,,,Excoecaria cochinchinensis,1011992.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Hippomaneae'],['Excoecaria'],['Excoecaria cochinchinensis'],4,1,6.027104020118713 60792,2125,-1,,,,0.0,MS1_match,ZKGBUDJODLZAHS-IOWSJCHKSA-N,"InChI=1S/C37H42N2O6/c1-38-14-12-25-19-35(43-4)32(40)21-28(25)30(38)16-23-6-9-27(10-7-23)45-37-18-24(8-11-34(37)42-3)17-31-29-22-33(41)36(44-5)20-26(29)13-15-39(31)2/h6-11,18-22,30-31,40-41H,12-17H2,1-5H3/t30-,31+/m0/s1",COc1cc2c(cc1O)[C@@H](Cc1ccc(OC)c(Oc3ccc(C[C@H]4c5cc(O)c(OC)cc5CCN4C)cc3)c1)N(C)CC2,C37H42N2O6,pos_1_minus1proton2sodium,610.304287064,ZKGBUDJODLZAHS,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Thalictrum minus,491705.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum minus'],6,0,6.0 60793,2125,-1,,,,0.0,MS1_match,RNPHQDBXJJRLDE-UHFFFAOYSA-N,"InChI=1S/C37H42N2O6/c1-39-15-13-26-20-35(43-4)36(44-5)22-29(26)31(39)17-24-8-11-33(41-2)37(18-24)45-27-9-6-23(7-10-27)16-30-28-21-32(40)34(42-3)19-25(28)12-14-38-30/h6-11,18-22,30-31,38,40H,12-17H2,1-5H3",COc1cc2c(cc1O)C(Cc1ccc(Oc3cc(CC4c5cc(OC)c(OC)cc5CCN4C)ccc3OC)cc1)NCC2,C37H42N2O6,pos_1_minus1proton2sodium,610.304287064,RNPHQDBXJJRLDE,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Thalictrum,190621.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Unknown'],6,0,6.0 60783,2124,-1,,,,0.0,MS1_match,WQSDYZZEIBAPIN-VBQORRLJSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+/t10-,12-,13+,14-,15+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O9,pos_1_1potassium,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis tashiroi,21287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tashiroi'],8,0,8.0 60784,2124,-1,,,,0.0,MS1_match,WQSDYZZEIBAPIN-VBQORRLJSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+/t10-,12-,13+,14-,15+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O9,pos_1_1potassium,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis tashiroi,21287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tashiroi'],8,0,8.0 60785,2124,-1,,,,0.0,MS1_match,WQSDYZZEIBAPIN-VBQORRLJSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+/t10-,12-,13+,14-,15+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O9,pos_1_1potassium,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis tashiroi,21287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tashiroi'],8,0,8.0 60786,2124,-1,,,,0.0,MS1_match,OHEYCHKLBCPRLZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(24-10)23-9-3-1-7(5-8(9)17)2-4-11(18)19/h1-5,10,12-17,20-22H,6H2,(H,18,19)/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1,C15H18O9,pos_1_1potassium,342.09508215599993,OHEYCHKLBCPRLZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis tashiroi,21287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tashiroi'],8,0,8.0 60787,2124,-1,,,,0.0,MS1_match,OHEYCHKLBCPRLZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(24-10)23-9-3-1-7(5-8(9)17)2-4-11(18)19/h1-5,10,12-17,20-22H,6H2,(H,18,19)/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1,C15H18O9,pos_1_1potassium,342.09508215599993,OHEYCHKLBCPRLZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis tashiroi,21287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tashiroi'],8,0,8.0 60788,2124,-1,,,,0.0,MS1_match,OHEYCHKLBCPRLZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(24-10)23-9-3-1-7(5-8(9)17)2-4-11(18)19/h1-5,10,12-17,20-22H,6H2,(H,18,19)/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1,C15H18O9,pos_1_1potassium,342.09508215599993,OHEYCHKLBCPRLZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis tashiroi,21287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tashiroi'],8,0,8.0 60789,2124,-1,,,,0.0,MS1_match,JVVFTHAOTNXPOZ-SSLCBRODSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1potassium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis tashiroi,21287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tashiroi'],8,0,8.0 60790,2124,-1,,,,0.0,MS1_match,JVVFTHAOTNXPOZ-SSLCBRODSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1potassium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis tashiroi,21287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tashiroi'],8,0,8.0 60779,2122,360,Fatty acids,Fatty esters,Wax monoesters,0.0,MS1_match,JNWQKXUWZWKUAY-JQEGGOPCSA-N,"InChI=1S/C11H18O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h5-7H,4,8-9H2,1-3H3/b7-6-,10-5+",C/C=C(\C)C(=O)OCC/C=C\CC,C11H18O2,pos_2MH,182.130679816,JNWQKXUWZWKUAY,Fatty acids,Fatty esters,Wax monoesters,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 60617,2120,437,Terpenoids,Steroids,Cholestane steroids,0.6008089,ISDB,GQVCGTRDXSDAHC-DDUFMXSOSA-N,"InChI=1S/C29H48O3/c1-18(2)19(3)8-9-20(4)23-10-11-24-22-16-26(32-7)29(31)17-21(30)12-15-28(29,6)25(22)13-14-27(23,24)5/h8-9,16,18-21,23-26,30-31H,10-15,17H2,1-7H3/b9-8+/t19-,20+,21-,23+,24-,25-,26-,27+,28+,29-/m0/s1",CO[C@H]1C=C2[C@@H]3CC[C@H]([C@H](C)/C=C/[C@H](C)C(C)C)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@H](O)C[C@]12O,C29H48O3,,444.360345396,GQVCGTRDXSDAHC,Terpenoids,Steroids,Cholestane steroids,Mallotus nudiflorus,375532.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Mallotus'],['Mallotus nudiflorus'],4,3,7.903235673904419 60618,2120,437,Terpenoids,Steroids,Cholestane steroids,0.6008089,ISDB,GQVCGTRDXSDAHC-UHFFFAOYSA-N,"InChI=1S/C29H48O3/c1-18(2)19(3)8-9-20(4)23-10-11-24-22-16-26(32-7)29(31)17-21(30)12-15-28(29,6)25(22)13-14-27(23,24)5/h8-9,16,18-21,23-26,30-31H,10-15,17H2,1-7H3",COC1C=C2C3CCC(C(C)C=CC(C)C(C)C)C3(C)CCC2C2(C)CCC(O)CC12O,C29H48O3,,444.360345396,GQVCGTRDXSDAHC,Terpenoids,Steroids,Cholestane steroids,Trewia nudiflora,375532.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Mallotus'],['Mallotus nudiflorus'],4,3,7.903235673904419 60571,2115,7,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Lonicera hypoleuca,5746397.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera hypoleuca'],7,1,7.5 60572,2115,7,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Lonicera hypoleuca,5746397.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera hypoleuca'],7,1,7.5 60573,2115,7,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Lonicera hypoleuca,5746397.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera hypoleuca'],7,1,7.5 60568,2114,390,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,0.0,MS1_match,ZJSJQWDXAYNLNS-FUPWJLLWSA-N,"InChI=1S/C32H42O16/c1-41-19-7-13(3-5-17(19)45-31-27(39)25(37)23(35)21(9-33)47-31)29-15-11-44-30(16(15)12-43-29)14-4-6-18(20(8-14)42-2)46-32-28(40)26(38)24(36)22(10-34)48-32/h3-8,15-16,21-40H,9-12H2,1-2H3/t15-,16-,21+,22+,23+,24+,25-,26-,27+,28+,29+,30+,31+,32+/m0/s1",COc1cc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C32H42O16,pos_1_1proton1ammonium,682.2472852640001,ZJSJQWDXAYNLNS,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Clematis stans,21283.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis stans'],8,3,9.5 60569,2114,390,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,0.0,MS1_match,ZJSJQWDXAYNLNS-FUPWJLLWSA-N,"InChI=1S/C32H42O16/c1-41-19-7-13(3-5-17(19)45-31-27(39)25(37)23(35)21(9-33)47-31)29-15-11-44-30(16(15)12-43-29)14-4-6-18(20(8-14)42-2)46-32-28(40)26(38)24(36)22(10-34)48-32/h3-8,15-16,21-40H,9-12H2,1-2H3/t15-,16-,21+,22+,23+,24+,25-,26-,27+,28+,29+,30+,31+,32+/m0/s1",COc1cc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C32H42O16,pos_1_1proton1ammonium,682.2472852640001,ZJSJQWDXAYNLNS,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Clematis stans,21283.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis stans'],8,3,9.5 60535,2110,173,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.32542196,ISDB,JTCZJEHFXLPGNO-HUXDRDGTSA-N,"InChI=1S/C16H28O8/c1-8(4-17)10-3-2-9(5-18)11(10)7-23-16-15(22)14(21)13(20)12(6-19)24-16/h9-22H,1-7H2/t9-,10-,11-,12-,13-,14+,15-,16-/m1/s1",C=C(CO)[C@H]1CC[C@H](CO)[C@H]1CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H28O8,,348.178417856,JTCZJEHFXLPGNO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Viburnum lantana,572547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Adoxaceae'],['Unknown'],['Viburnum'],['Viburnum lantana'],5,3,7.801687836647034 60510,2108,375,Terpenoids,Sesquiterpenoids,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_sodium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Euonymus europaeus,806632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus europaeus'],7,3,8.5 60511,2108,375,Terpenoids,Sesquiterpenoids,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_sodium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Euonymus europaeus,806632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus europaeus'],7,3,8.5 60502,2107,-1,,,,0.0,MS1_match,MGEDPNBPAMLIHW-WVRIYPJASA-N,"InChI=1S/C21H27NO2/c1-11-7-19-8-20(24)10-22-9-18(2)4-3-5-21(17(18)20)15(19)14(23)12(11)6-13(19)16(21)22/h12-13,15-17,24H,1,3-10H2,2H3/t12-,13-,15-,16-,17+,18+,19+,20+,21+/m1/s1",C=C1C[C@@]23C[C@]4(O)CN5C[C@]6(C)CCC[C@@]7([C@@H]2C(=O)[C@@H]1C[C@@H]3[C@@H]57)[C@@H]64,C21H27NO2,pos_1_1proton2acetonitrile,325.204179104,MGEDPNBPAMLIHW,Terpenoids,Diterpenoids,Atisane diterpenoids,Thalictrum javanicum,124737.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum javanicum'],6,0,6.0 60503,2107,-1,,,,0.0,MS1_match,MGEDPNBPAMLIHW-UHFFFAOYSA-N,"InChI=1S/C21H27NO2/c1-11-7-19-8-20(24)10-22-9-18(2)4-3-5-21(17(18)20)15(19)14(23)12(11)6-13(19)16(21)22/h12-13,15-17,24H,1,3-10H2,2H3",C=C1CC23CC4(O)CN5CC6(C)CCCC7(C5C2CC1C(=O)C37)C64,C21H27NO2,pos_1_1proton2acetonitrile,325.204179104,MGEDPNBPAMLIHW,Terpenoids,Diterpenoids,Atisane diterpenoids,Thalictrum sessile,124737.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum javanicum'],6,0,6.0 60504,2107,-1,,,,0.0,MS1_match,XSVCVUWEQFJJRW-JMGTWLQXSA-N,"InChI=1S/C21H27NO2/c1-11-6-20-9-15(24)17-19(2)7-13(23)8-21(17)16(20)5-12(11)4-14(20)18(21)22(3)10-19/h12,14,16-18H,1,4-10H2,2-3H3/t12-,14+,16+,17+,18+,19-,20-,21+/m0/s1",C=C1C[C@@]23CC(=O)[C@@H]4[C@@]5(C)CC(=O)C[C@@]46[C@@H]2C[C@@H]1C[C@@H]3[C@H]6N(C)C5,C21H27NO2,pos_1_1proton2acetonitrile,325.204179104,XSVCVUWEQFJJRW,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum variegatum,586783.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum variegatum'],6,0,6.0 60497,2102,513,Polyketides,Chromanes,Chromones,0.0,MS1_match,YMKQLZWZRFMJBN-UHFFFAOYSA-N,"InChI=1S/C21H26O11/c1-21(2,28)14-4-9-11(31-14)5-12-15(16(9)24)10(23)3-8(30-12)7-29-20-19(27)18(26)17(25)13(6-22)32-20/h3,5,13-14,17-20,22,24-28H,4,6-7H2,1-2H3",CC(C)(O)C1Cc2c(cc3oc(COC4OC(CO)C(O)C(O)C4O)cc(=O)c3c2O)O1,C21H26O11,pos_1_sodium,454.147511652,YMKQLZWZRFMJBN,Polyketides,Chromanes,Chromones,Actaea cimicifuga,988720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea cimicifuga'],6,3,7.5 60498,2102,513,Polyketides,Chromanes,Chromones,0.0,MS1_match,YMKQLZWZRFMJBN-UHFFFAOYSA-N,"InChI=1S/C21H26O11/c1-21(2,28)14-4-9-11(31-14)5-12-15(16(9)24)10(23)3-8(30-12)7-29-20-19(27)18(26)17(25)13(6-22)32-20/h3,5,13-14,17-20,22,24-28H,4,6-7H2,1-2H3",CC(C)(O)C1Cc2c(cc3oc(COC4OC(CO)C(O)C(O)C4O)cc(=O)c3c2O)O1,C21H26O11,pos_1_sodium,454.147511652,YMKQLZWZRFMJBN,Polyketides,Chromanes,Chromones,Actaea elata,988729.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea elata'],6,3,7.5 60499,2102,513,Polyketides,Chromanes,Chromones,0.0,MS1_match,PBHOYFHVNTVOLB-JEQBVLSKSA-N,"InChI=1S/C21H26O11/c1-9(8-30-21-19(29)18(28)17(27)15(7-23)32-21)2-3-11-12(24)5-14(26)16-13(25)4-10(6-22)31-20(11)16/h2,4-5,15,17-19,21-24,26-29H,3,6-8H2,1H3/b9-2+/t15-,17-,18+,19-,21-/m1/s1",C/C(=C\Cc1c(O)cc(O)c2c(=O)cc(CO)oc12)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C21H26O11,pos_1_sodium,454.147511652,PBHOYFHVNTVOLB,Polyketides,Chromanes,Chromones,Eranthis hyemalis,756503.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Eranthis'],['Eranthis hyemalis'],6,3,7.5 60500,2102,513,Polyketides,Chromanes,Chromones,0.0,MS1_match,GWJOORMJFDUWLC-JEQBVLSKSA-N,"InChI=1S/C21H26O11/c1-9(6-22)2-3-11-14(31-21-19(29)18(28)17(27)15(8-24)32-21)5-13(26)16-12(25)4-10(7-23)30-20(11)16/h2,4-5,15,17-19,21-24,26-29H,3,6-8H2,1H3/b9-2+/t15-,17-,18+,19-,21-/m1/s1",C/C(=C\Cc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c2c(=O)cc(CO)oc12)CO,C21H26O11,pos_1_sodium,454.147511652,GWJOORMJFDUWLC,Polyketides,Chromanes,Chromones,Eranthis cilicica,5922989.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Eranthis'],['Eranthis cilicica'],6,3,7.5 60501,2102,513,Polyketides,Chromanes,Chromones,0.0,MS1_match,GWJOORMJFDUWLC-JEQBVLSKSA-N,"InChI=1S/C21H26O11/c1-9(6-22)2-3-11-14(31-21-19(29)18(28)17(27)15(8-24)32-21)5-13(26)16-12(25)4-10(7-23)30-20(11)16/h2,4-5,15,17-19,21-24,26-29H,3,6-8H2,1H3/b9-2+/t15-,17-,18+,19-,21-/m1/s1",C/C(=C\Cc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c2c(=O)cc(CO)oc12)CO,C21H26O11,pos_1_sodium,454.147511652,GWJOORMJFDUWLC,Polyketides,Chromanes,Chromones,Eranthis hyemalis,756503.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Eranthis'],['Eranthis hyemalis'],6,3,7.5 60496,2100,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,KJZKMUCLXDFCHA-BZXHIDDVSA-N,"InChI=1S/C33H58O18/c1-13-29(17(35)8-23(44-13)49-30-14(2)43-22(36)9-18(30)40-5)48-24-10-19(41-6)31(15(3)45-24)50-25-11-20(42-7)32(16(4)46-25)51-33-28(39)27(38)26(37)21(12-34)47-33/h13-39H,8-12H2,1-7H3/t13-,14-,15-,16-,17+,18+,19-,20-,21-,22-,23+,24+,25+,26-,27+,28-,29-,30+,31-,32+,33+/m1/s1",CO[C@H]1C[C@H](O)O[C@H](C)[C@@H]1O[C@H]1C[C@H](O)[C@H](O[C@H]2C[C@@H](OC)[C@H](O[C@H]3C[C@@H](OC)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](C)O1,C33H58O18,pos_2_2proton2acetonitrile,742.362315016,KJZKMUCLXDFCHA,Carbohydrates,Saccharides,Polysaccharides,Adonis aleppica,6130911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Adonideae'],['Adonis'],['Adonis aleppica'],6,0,6.0 58481,2099,-1,,,,0.37917238,ISDB,OBWHQJYOOCRPST-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)15-14(19)13(18)11-6-5-10(17)7-12(11)20-15/h1-7,16-17,19H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)ccc12,C15H10O5,,270.05282342,OBWHQJYOOCRPST,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Clematis hexapetala,226633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis hexapetala'],8,0,9.516689538955688 58382,2093,629,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,FJKROLUGYXJWQN-UHFFFAOYSA-N,"InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)",O=C(O)c1ccc(O)cc1,C7H6O3,pos_1_1proton,138.031694052,FJKROLUGYXJWQN,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Lonicera microphylla,980075.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera microphylla'],7,3,8.5 58380,2092,-1,,,,0.0,MS1_match,KUCPEGRFGJINTH-RTBURBONSA-N,"InChI=1S/C19H28O7/c1-5-23-18-14(10-25-16(22)7-11(3)4)12-8-15(21)13(9-20)17(12)19(26-18)24-6-2/h11,18-20H,5-10H2,1-4H3/t18-,19-/m1/s1",CCO[C@@H]1O[C@@H](OCC)C2=C(CO)C(=O)CC2=C1COC(=O)CC(C)C,C19H28O7,pos_1_1proton,368.183503236,KUCPEGRFGJINTH,Terpenoids,,,Patrinia rupestris,1035977.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia rupestris'],6,0,6.0 58323,2090,-1,,,,0.0,MS1_match,RNYZJZKPGHQTJR-UHFFFAOYSA-N,"InChI=1S/C5H4O2/c1-4-2-3-5(6)7-4/h2-3H,1H2",C=C1C=CC(=O)O1,C5H4O2,pos_1_1proton1acetonitrile,96.021129368,RNYZJZKPGHQTJR,Shikimates and Phenylpropanoids,,,Clematis flammula,3945102.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis flammula'],8,0,8.0 58324,2090,-1,,,,0.0,MS1_match,RNYZJZKPGHQTJR-UHFFFAOYSA-N,"InChI=1S/C5H4O2/c1-4-2-3-5(6)7-4/h2-3H,1H2",C=C1C=CC(=O)O1,C5H4O2,pos_1_1proton1acetonitrile,96.021129368,RNYZJZKPGHQTJR,Shikimates and Phenylpropanoids,,,Clematis fawcettii,5737776.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis fawcettii'],8,0,8.0 58325,2090,-1,,,,0.0,MS1_match,RNYZJZKPGHQTJR-UHFFFAOYSA-N,"InChI=1S/C5H4O2/c1-4-2-3-5(6)7-4/h2-3H,1H2",C=C1C=CC(=O)O1,C5H4O2,pos_1_1proton1acetonitrile,96.021129368,RNYZJZKPGHQTJR,Shikimates and Phenylpropanoids,,,Clematis gentianoides,72780.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis gentianoides'],8,0,8.0 58326,2090,-1,,,,0.0,MS1_match,RNYZJZKPGHQTJR-UHFFFAOYSA-N,"InChI=1S/C5H4O2/c1-4-2-3-5(6)7-4/h2-3H,1H2",C=C1C=CC(=O)O1,C5H4O2,pos_1_1proton1acetonitrile,96.021129368,RNYZJZKPGHQTJR,Shikimates and Phenylpropanoids,,,Clematis glycinoides,842003.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis glycinoides'],8,0,8.0 58327,2090,-1,,,,0.0,MS1_match,RNYZJZKPGHQTJR-UHFFFAOYSA-N,"InChI=1S/C5H4O2/c1-4-2-3-5(6)7-4/h2-3H,1H2",C=C1C=CC(=O)O1,C5H4O2,pos_1_1proton1acetonitrile,96.021129368,RNYZJZKPGHQTJR,Shikimates and Phenylpropanoids,,,Clematis aristata,5737721.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis aristata'],8,0,8.0 58328,2090,-1,,,,0.0,MS1_match,RNYZJZKPGHQTJR-UHFFFAOYSA-N,"InChI=1S/C5H4O2/c1-4-2-3-5(6)7-4/h2-3H,1H2",C=C1C=CC(=O)O1,C5H4O2,pos_1_1proton1acetonitrile,96.021129368,RNYZJZKPGHQTJR,Shikimates and Phenylpropanoids,,,Clematis microphylla,32689.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis microphylla'],8,0,8.0 58329,2090,-1,,,,0.0,MS1_match,RNYZJZKPGHQTJR-UHFFFAOYSA-N,"InChI=1S/C5H4O2/c1-4-2-3-5(6)7-4/h2-3H,1H2",C=C1C=CC(=O)O1,C5H4O2,pos_1_1proton1acetonitrile,96.021129368,RNYZJZKPGHQTJR,Shikimates and Phenylpropanoids,,,Clematis pubescens,446571.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis pubescens'],8,0,8.0 58330,2090,-1,,,,0.0,MS1_match,JLUQTCXCAFSSLD-UHFFFAOYSA-N,"InChI=1S/C10H8O4/c11-7-1-3-9(13-7)5-6-10(9)4-2-8(12)14-10/h1-4H,5-6H2",O=C1C=CC2(CCC23C=CC(=O)O3)O1,C10H8O4,pos_2_2proton2acetonitrile,192.042258736,JLUQTCXCAFSSLD,Shikimates and Phenylpropanoids,,,Clematis hirsutissima,3945124.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis hirsutissima'],8,0,8.0 58331,2090,-1,,,,0.0,MS1_match,RNYZJZKPGHQTJR-UHFFFAOYSA-N,"InChI=1S/C5H4O2/c1-4-2-3-5(6)7-4/h2-3H,1H2",C=C1C=CC(=O)O1,C5H4O2,pos_1_1proton1acetonitrile,96.021129368,RNYZJZKPGHQTJR,Shikimates and Phenylpropanoids,,,Clematis vitalba,756499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis vitalba'],8,0,8.0 58332,2090,-1,,,,0.0,MS1_match,RNYZJZKPGHQTJR-UHFFFAOYSA-N,"InChI=1S/C5H4O2/c1-4-2-3-5(6)7-4/h2-3H,1H2",C=C1C=CC(=O)O1,C5H4O2,pos_1_1proton1acetonitrile,96.021129368,RNYZJZKPGHQTJR,Shikimates and Phenylpropanoids,,,Clematis recta,972679.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis recta'],8,0,8.0 58333,2090,-1,,,,0.0,MS1_match,RNYZJZKPGHQTJR-UHFFFAOYSA-N,"InChI=1S/C5H4O2/c1-4-2-3-5(6)7-4/h2-3H,1H2",C=C1C=CC(=O)O1,C5H4O2,pos_1_1proton1acetonitrile,96.021129368,RNYZJZKPGHQTJR,Shikimates and Phenylpropanoids,,,Clematis montana,970477.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis montana'],8,0,8.0 58294,2089,-1,,,,0.31972829,ISDB,PKDTXFWHZWYNAH-ZABHBOMESA-N,"InChI=1S/C19H34O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h7,11-17,20-25H,5-6,8-9H2,1-4H3/t11-,12-,13-,14-,15+,16-,17+,19-/m1/s1",CC1=C[C@@H](O)CC(C)(C)[C@@]1(O)CC[C@@H](C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H34O8,,390.225368048,PKDTXFWHZWYNAH,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],4,0,5.278913140296936 58295,2089,-1,,,,0.31972829,ISDB,PKDTXFWHZWYNAH-ZABHBOMESA-N,"InChI=1S/C19H34O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h7,11-17,20-25H,5-6,8-9H2,1-4H3/t11-,12-,13-,14-,15+,16-,17+,19-/m1/s1",CC1=C[C@@H](O)CC(C)(C)[C@@]1(O)CC[C@@H](C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H34O8,,390.225368048,PKDTXFWHZWYNAH,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],4,0,5.278913140296936 58270,2088,138,Carbohydrates,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_sodium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Euonymus europaeus,806632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus europaeus'],7,3,8.5 58271,2088,138,Carbohydrates,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_sodium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Euonymus europaeus,806632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus europaeus'],7,3,8.5 58226,2084,569,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_1_1proton1acetonitrile,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera microphylla,980075.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera microphylla'],7,3,8.5 58188,2083,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.5270277,ISDB,BJFKUIUNGGPCAB-SGSCGOSXSA-N,"InChI=1S/C19H32O7/c1-10-7-12(8-19(3,4)13(10)6-5-11(2)21)25-18-17(24)16(23)15(22)14(9-20)26-18/h12,14-18,20,22-24H,5-9H2,1-4H3/t12-,14-,15-,16+,17-,18-/m1/s1",CC(=O)CCC1=C(C)C[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC1(C)C,C19H32O7,,372.2148033639999,BJFKUIUNGGPCAB,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Epimedium grandiflorum,655264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Berberidaceae'],['Unknown'],['Epimedium'],['Epimedium grandiflorum'],5,1,7.6081109046936035 58189,2083,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.5270277,ISDB,BJFKUIUNGGPCAB-VKSRGFPUSA-N,"InChI=1S/C19H32O7/c1-10-7-12(8-19(3,4)13(10)6-5-11(2)21)25-18-17(24)16(23)15(22)14(9-20)26-18/h12,14-18,20,22-24H,5-9H2,1-4H3/t12-,14-,15-,16+,17-,18+/m1/s1",CC(=O)CCC1=C(C)C[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC1(C)C,C19H32O7,,372.2148033639999,BJFKUIUNGGPCAB,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Epimedium sagittatum,175143.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Berberidaceae'],['Unknown'],['Epimedium'],['Epimedium sagittatum'],5,1,7.6081109046936035 58187,2082,-1,,,,0.27071506,ISDB,,,,,,,AQAIKURDLHBDKZ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.0828602313995361 58143,2078,-1,,,,0.0,MS1_match,CSKKDSFETGLMSB-NRZPKYKESA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11-,12-,13+,14-,16+,17+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC=O,C17H24O10,pos_1_1potassium,388.1369469679999,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera tatarica,980069.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],8,0,8.0 58144,2078,-1,,,,0.0,MS1_match,CSKKDSFETGLMSB-QOMIBOLPSA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11-,12-,13+,14-,16+,17-/m1/s1",C=C[C@H]1[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC=O,C17H24O10,pos_1_1potassium,388.136946968,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera periclymenum,811893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera periclymenum'],8,0,8.0 58145,2078,-1,,,,0.0,MS1_match,CSKKDSFETGLMSB-UHFFFAOYSA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC=O,C17H24O10,pos_1_1potassium,388.1369469679999,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera morrowii,484242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],8,0,8.0 58146,2078,-1,,,,0.0,MS1_match,CSKKDSFETGLMSB-NRZPKYKESA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11-,12-,13+,14-,16+,17+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC=O,C17H24O10,pos_1_1potassium,388.1369469679999,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera tatarica,980069.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],8,0,8.0 58147,2078,-1,,,,0.0,MS1_match,LPOVXLVQNSEZGE-PMRPVAAPSA-N,"InChI=1S/C17H24O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,10-14,16-18,20-22H,3-4H2,1-2H3/t6-,7+,10+,11+,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1CC(=O)[C@@H]2C,C17H24O10,pos_1_1potassium,388.1369469679999,LPOVXLVQNSEZGE,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera morrowii,484242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],8,0,8.0 58148,2078,-1,,,,0.0,MS1_match,CSKKDSFETGLMSB-QOMIBOLPSA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11-,12-,13+,14-,16+,17-/m1/s1",C=C[C@H]1[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC=O,C17H24O10,pos_1_1potassium,388.136946968,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera periclymenum,811893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera periclymenum'],8,0,8.0 58149,2078,-1,,,,0.0,MS1_match,LPOVXLVQNSEZGE-PMRPVAAPSA-N,"InChI=1S/C17H24O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,10-14,16-18,20-22H,3-4H2,1-2H3/t6-,7+,10+,11+,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1CC(=O)[C@@H]2C,C17H24O10,pos_1_1potassium,388.1369469679999,LPOVXLVQNSEZGE,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera morrowii,484242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],8,0,8.0 58150,2078,-1,,,,0.0,MS1_match,CSKKDSFETGLMSB-UHFFFAOYSA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC=O,C17H24O10,pos_1_1potassium,388.1369469679999,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera morrowii,484242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],8,0,8.0 58127,2075,-1,,,,0.0,MS1_match,ACYXDIZTQDLTCB-UVIKLTKHSA-N,"InChI=1S/C20H18O11/c21-12-4-1-10(7-14(12)23)3-6-16(25)31-17(18(26)27)20(30,19(28)29)9-11-2-5-13(22)15(24)8-11/h1-8,17,21-24,30H,9H2,(H,26,27)(H,28,29)/b6-3+/t17-,20-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](C(=O)O)[C@](O)(Cc1ccc(O)c(O)c1)C(=O)O,C20H18O11,pos_1_sodium,434.0849113959998,ACYXDIZTQDLTCB,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Actaea racemosa,512702.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea racemosa'],6,0,6.0 58128,2075,-1,,,,0.0,MS1_match,ACYXDIZTQDLTCB-UHFFFAOYSA-N,"InChI=1S/C20H18O11/c21-12-4-1-10(7-14(12)23)3-6-16(25)31-17(18(26)27)20(30,19(28)29)9-11-2-5-13(22)15(24)8-11/h1-8,17,21-24,30H,9H2,(H,26,27)(H,28,29)",O=C(C=Cc1ccc(O)c(O)c1)OC(C(=O)O)C(O)(Cc1ccc(O)c(O)c1)C(=O)O,C20H18O11,pos_1_sodium,434.084911396,ACYXDIZTQDLTCB,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Actaea dahurica,462227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea dahurica'],6,0,6.0 58129,2075,-1,,,,0.0,MS1_match,ACYXDIZTQDLTCB-UVIKLTKHSA-N,"InChI=1S/C20H18O11/c21-12-4-1-10(7-14(12)23)3-6-16(25)31-17(18(26)27)20(30,19(28)29)9-11-2-5-13(22)15(24)8-11/h1-8,17,21-24,30H,9H2,(H,26,27)(H,28,29)/b6-3+/t17-,20-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](C(=O)O)[C@](O)(Cc1ccc(O)c(O)c1)C(=O)O,C20H18O11,pos_1_sodium,434.0849113959998,ACYXDIZTQDLTCB,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Actaea simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],6,0,6.0 58130,2075,-1,,,,0.0,MS1_match,ACYXDIZTQDLTCB-UVIKLTKHSA-N,"InChI=1S/C20H18O11/c21-12-4-1-10(7-14(12)23)3-6-16(25)31-17(18(26)27)20(30,19(28)29)9-11-2-5-13(22)15(24)8-11/h1-8,17,21-24,30H,9H2,(H,26,27)(H,28,29)/b6-3+/t17-,20-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](C(=O)O)[C@](O)(Cc1ccc(O)c(O)c1)C(=O)O,C20H18O11,pos_1_sodium,434.0849113959998,ACYXDIZTQDLTCB,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Actaea cimicifuga,988720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea cimicifuga'],6,0,6.0 58131,2075,-1,,,,0.0,MS1_match,ACYXDIZTQDLTCB-UVIKLTKHSA-N,"InChI=1S/C20H18O11/c21-12-4-1-10(7-14(12)23)3-6-16(25)31-17(18(26)27)20(30,19(28)29)9-11-2-5-13(22)15(24)8-11/h1-8,17,21-24,30H,9H2,(H,26,27)(H,28,29)/b6-3+/t17-,20-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](C(=O)O)[C@](O)(Cc1ccc(O)c(O)c1)C(=O)O,C20H18O11,pos_1_sodium,434.0849113959998,ACYXDIZTQDLTCB,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Actaea elata,988729.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea elata'],6,0,6.0 58132,2075,-1,,,,0.0,MS1_match,ACYXDIZTQDLTCB-UVIKLTKHSA-N,"InChI=1S/C20H18O11/c21-12-4-1-10(7-14(12)23)3-6-16(25)31-17(18(26)27)20(30,19(28)29)9-11-2-5-13(22)15(24)8-11/h1-8,17,21-24,30H,9H2,(H,26,27)(H,28,29)/b6-3+/t17-,20-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](C(=O)O)[C@](O)(Cc1ccc(O)c(O)c1)C(=O)O,C20H18O11,pos_1_sodium,434.0849113959998,ACYXDIZTQDLTCB,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Actaea japonica,988749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea japonica'],6,0,6.0 58133,2075,-1,,,,0.0,MS1_match,ACYXDIZTQDLTCB-UVIKLTKHSA-N,"InChI=1S/C20H18O11/c21-12-4-1-10(7-14(12)23)3-6-16(25)31-17(18(26)27)20(30,19(28)29)9-11-2-5-13(22)15(24)8-11/h1-8,17,21-24,30H,9H2,(H,26,27)(H,28,29)/b6-3+/t17-,20-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](C(=O)O)[C@](O)(Cc1ccc(O)c(O)c1)C(=O)O,C20H18O11,pos_1_sodium,434.0849113959998,ACYXDIZTQDLTCB,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Actaea heracleifolia,988745.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea heracleifolia'],6,0,6.0 58134,2075,-1,,,,0.0,MS1_match,ACYXDIZTQDLTCB-UVIKLTKHSA-N,"InChI=1S/C20H18O11/c21-12-4-1-10(7-14(12)23)3-6-16(25)31-17(18(26)27)20(30,19(28)29)9-11-2-5-13(22)15(24)8-11/h1-8,17,21-24,30H,9H2,(H,26,27)(H,28,29)/b6-3+/t17-,20-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](C(=O)O)[C@](O)(Cc1ccc(O)c(O)c1)C(=O)O,C20H18O11,pos_1_sodium,434.0849113959998,ACYXDIZTQDLTCB,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cimicifuga simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],6,0,6.0 58135,2075,-1,,,,0.0,MS1_match,ACYXDIZTQDLTCB-UVIKLTKHSA-N,"InChI=1S/C20H18O11/c21-12-4-1-10(7-14(12)23)3-6-16(25)31-17(18(26)27)20(30,19(28)29)9-11-2-5-13(22)15(24)8-11/h1-8,17,21-24,30H,9H2,(H,26,27)(H,28,29)/b6-3+/t17-,20-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](C(=O)O)[C@](O)(Cc1ccc(O)c(O)c1)C(=O)O,C20H18O11,pos_1_sodium,434.0849113959998,ACYXDIZTQDLTCB,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Actaea racemosa,512702.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea racemosa'],6,0,6.0 58136,2075,-1,,,,0.0,MS1_match,ACYXDIZTQDLTCB-UHFFFAOYSA-N,"InChI=1S/C20H18O11/c21-12-4-1-10(7-14(12)23)3-6-16(25)31-17(18(26)27)20(30,19(28)29)9-11-2-5-13(22)15(24)8-11/h1-8,17,21-24,30H,9H2,(H,26,27)(H,28,29)",O=C(C=Cc1ccc(O)c(O)c1)OC(C(=O)O)C(O)(Cc1ccc(O)c(O)c1)C(=O)O,C20H18O11,pos_1_sodium,434.084911396,ACYXDIZTQDLTCB,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Actaea dahurica,462227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea dahurica'],6,0,6.0 58137,2075,-1,,,,0.0,MS1_match,ACYXDIZTQDLTCB-UVIKLTKHSA-N,"InChI=1S/C20H18O11/c21-12-4-1-10(7-14(12)23)3-6-16(25)31-17(18(26)27)20(30,19(28)29)9-11-2-5-13(22)15(24)8-11/h1-8,17,21-24,30H,9H2,(H,26,27)(H,28,29)/b6-3+/t17-,20-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](C(=O)O)[C@](O)(Cc1ccc(O)c(O)c1)C(=O)O,C20H18O11,pos_1_sodium,434.0849113959998,ACYXDIZTQDLTCB,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Actaea simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],6,0,6.0 58138,2075,-1,,,,0.0,MS1_match,ACYXDIZTQDLTCB-UVIKLTKHSA-N,"InChI=1S/C20H18O11/c21-12-4-1-10(7-14(12)23)3-6-16(25)31-17(18(26)27)20(30,19(28)29)9-11-2-5-13(22)15(24)8-11/h1-8,17,21-24,30H,9H2,(H,26,27)(H,28,29)/b6-3+/t17-,20-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](C(=O)O)[C@](O)(Cc1ccc(O)c(O)c1)C(=O)O,C20H18O11,pos_1_sodium,434.0849113959998,ACYXDIZTQDLTCB,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Actaea cimicifuga,988720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea cimicifuga'],6,0,6.0 58139,2075,-1,,,,0.0,MS1_match,ACYXDIZTQDLTCB-UVIKLTKHSA-N,"InChI=1S/C20H18O11/c21-12-4-1-10(7-14(12)23)3-6-16(25)31-17(18(26)27)20(30,19(28)29)9-11-2-5-13(22)15(24)8-11/h1-8,17,21-24,30H,9H2,(H,26,27)(H,28,29)/b6-3+/t17-,20-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](C(=O)O)[C@](O)(Cc1ccc(O)c(O)c1)C(=O)O,C20H18O11,pos_1_sodium,434.0849113959998,ACYXDIZTQDLTCB,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Actaea elata,988729.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea elata'],6,0,6.0 58140,2075,-1,,,,0.0,MS1_match,ACYXDIZTQDLTCB-UVIKLTKHSA-N,"InChI=1S/C20H18O11/c21-12-4-1-10(7-14(12)23)3-6-16(25)31-17(18(26)27)20(30,19(28)29)9-11-2-5-13(22)15(24)8-11/h1-8,17,21-24,30H,9H2,(H,26,27)(H,28,29)/b6-3+/t17-,20-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](C(=O)O)[C@](O)(Cc1ccc(O)c(O)c1)C(=O)O,C20H18O11,pos_1_sodium,434.0849113959998,ACYXDIZTQDLTCB,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Actaea japonica,988749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea japonica'],6,0,6.0 58141,2075,-1,,,,0.0,MS1_match,ACYXDIZTQDLTCB-UVIKLTKHSA-N,"InChI=1S/C20H18O11/c21-12-4-1-10(7-14(12)23)3-6-16(25)31-17(18(26)27)20(30,19(28)29)9-11-2-5-13(22)15(24)8-11/h1-8,17,21-24,30H,9H2,(H,26,27)(H,28,29)/b6-3+/t17-,20-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](C(=O)O)[C@](O)(Cc1ccc(O)c(O)c1)C(=O)O,C20H18O11,pos_1_sodium,434.0849113959998,ACYXDIZTQDLTCB,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Actaea heracleifolia,988745.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea heracleifolia'],6,0,6.0 58142,2075,-1,,,,0.0,MS1_match,ACYXDIZTQDLTCB-UVIKLTKHSA-N,"InChI=1S/C20H18O11/c21-12-4-1-10(7-14(12)23)3-6-16(25)31-17(18(26)27)20(30,19(28)29)9-11-2-5-13(22)15(24)8-11/h1-8,17,21-24,30H,9H2,(H,26,27)(H,28,29)/b6-3+/t17-,20-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](C(=O)O)[C@](O)(Cc1ccc(O)c(O)c1)C(=O)O,C20H18O11,pos_1_sodium,434.0849113959998,ACYXDIZTQDLTCB,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cimicifuga simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],6,0,6.0 58101,2068,619,Polyketides,Linear polyketides,Acetogenins,0.2965603,ISDB,HZGVWCMMEULBPB-MPRWPCGUSA-N,"InChI=1S/C37H64O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-28-35(39)36(40)30-29-34(38)27-24-21-19-20-23-26-33-31-32(2)42-37(33)41/h14-15,18,22,31-32,35-36,39-40H,3-13,16-17,19-21,23-30H2,1-2H3/b15-14-,22-18-",CCCCCCCCCCCC/C=C\CC/C=C\CCC(O)C(O)CCC(=O)CCCCCCCC1=CC(C)OC1=O,C37H64O5,,588.475375148,HZGVWCMMEULBPB,Polyketides,Linear polyketides,Acetogenins,Annona jahnii,3868482.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Annoneae'],['Annona'],['Annona jahnii'],4,3,6.686241149902344 58074,2067,477,Terpenoids,Apocarotenoids,Megastigmanes,0.63942766,ISDB,VMGKCCIFXCUSHN-UHFFFAOYSA-N,"InChI=1S/C13H24O2/c1-9(14)5-6-11-10(2)12(15)7-8-13(11,3)4/h9,12,14-15H,5-8H2,1-4H3",CC1=C(CCC(C)O)C(C)(C)CCC1O,C13H24O2,,212.177630008,VMGKCCIFXCUSHN,Terpenoids,Apocarotenoids,Megastigmanes,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],4,3,8.057710647583008 58010,2066,-1,,,,0.23820479,ISDB,NEJKEXUJCSYMCC-IKCGAKJISA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(40-9)41-11-6-13(31)17-15(7-11)42-25(10-3-4-12(30)14(5-10)39-2)26(20(17)34)44-28-24(38)22(36)19(33)16(8-29)43-28/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27-,28-/m1/s1",COc1cc(-c2oc3cc(O[C@H]4O[C@H](C)[C@@H](O)[C@H](O)[C@@H]4O)cc(O)c3c(=O)c2O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O,C28H32O16,,624.169034944,NEJKEXUJCSYMCC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Phedimus selskianus,300990.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Phedimus'],['Phedimus selskianus'],4,0,4.9528191685676575 58011,2066,-1,,,,0.23820479,ISDB,NEJKEXUJCSYMCC-NUBQEMHQSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(40-9)41-11-6-13(31)17-15(7-11)42-25(10-3-4-12(30)14(5-10)39-2)26(20(17)34)44-28-24(38)22(36)19(33)16(8-29)43-28/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9?,16?,18-,19+,21-,22?,23?,24?,27-,28-/m0/s1",COc1cc(-c2oc3cc(O[C@@H]4OC(C)[C@H](O)[C@H](O)C4O)cc(O)c3c(=O)c2O[C@@H]2OC(CO)[C@@H](O)C(O)C2O)ccc1O,C28H32O16,,624.1690349439999,NEJKEXUJCSYMCC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],4,0,4.9528191685676575 58012,2066,-1,,,,0.23820479,ISDB,NEJKEXUJCSYMCC-NUBQEMHQSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(40-9)41-11-6-13(31)17-15(7-11)42-25(10-3-4-12(30)14(5-10)39-2)26(20(17)34)44-28-24(38)22(36)19(33)16(8-29)43-28/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9?,16?,18-,19+,21-,22?,23?,24?,27-,28-/m0/s1",COc1cc(-c2oc3cc(O[C@@H]4OC(C)[C@H](O)[C@H](O)C4O)cc(O)c3c(=O)c2O[C@@H]2OC(CO)[C@@H](O)C(O)C2O)ccc1O,C28H32O16,,624.1690349439999,NEJKEXUJCSYMCC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Diplotaxis acris,807843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Unknown'],['Unknown'],4,0,4.9528191685676575 58013,2066,-1,,,,0.23820479,ISDB,NEJKEXUJCSYMCC-AKTJOMHVSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(40-9)41-11-6-13(31)17-15(7-11)42-25(10-3-4-12(30)14(5-10)39-2)26(20(17)34)44-28-24(38)22(36)19(33)16(8-29)43-28/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19-,21-,22-,23-,24+,27-,28-/m0/s1",COc1cc(-c2oc3cc(O[C@@H]4O[C@@H](C)[C@H](O)[C@H](O)[C@@H]4O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)ccc1O,C28H32O16,,624.169034944,NEJKEXUJCSYMCC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Chrozophora plicata,3911324.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Chrozophoreae'],['Chrozophora'],['Chrozophora plicata'],4,0,4.9528191685676575 58014,2066,-1,,,,0.23820479,ISDB,NEJKEXUJCSYMCC-AKTJOMHVSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(40-9)41-11-6-13(31)17-15(7-11)42-25(10-3-4-12(30)14(5-10)39-2)26(20(17)34)44-28-24(38)22(36)19(33)16(8-29)43-28/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19-,21-,22-,23-,24+,27-,28-/m0/s1",COc1cc(-c2oc3cc(O[C@@H]4O[C@@H](C)[C@H](O)[C@H](O)[C@@H]4O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)ccc1O,C28H32O16,,624.169034944,NEJKEXUJCSYMCC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Chrozophora obliqua,3911324.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Chrozophoreae'],['Chrozophora'],['Chrozophora plicata'],4,0,4.9528191685676575 58015,2066,-1,,,,0.23820479,ISDB,NEJKEXUJCSYMCC-AKTJOMHVSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(40-9)41-11-6-13(31)17-15(7-11)42-25(10-3-4-12(30)14(5-10)39-2)26(20(17)34)44-28-24(38)22(36)19(33)16(8-29)43-28/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19-,21-,22-,23-,24+,27-,28-/m0/s1",COc1cc(-c2oc3cc(O[C@@H]4O[C@@H](C)[C@H](O)[C@H](O)[C@@H]4O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)ccc1O,C28H32O16,,624.169034944,NEJKEXUJCSYMCC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Sedum sarmentosum,810620.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Sedum'],['Sedum sarmentosum'],4,0,4.9528191685676575 58016,2066,-1,,,,0.23820479,ISDB,NEJKEXUJCSYMCC-UHFFFAOYSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(40-9)41-11-6-13(31)17-15(7-11)42-25(10-3-4-12(30)14(5-10)39-2)26(20(17)34)44-28-24(38)22(36)19(33)16(8-29)43-28/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3",COc1cc(-c2oc3cc(OC4OC(C)C(O)C(O)C4O)cc(O)c3c(=O)c2OC2OC(CO)C(O)C(O)C2O)ccc1O,C28H32O16,,624.169034944,NEJKEXUJCSYMCC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Coprosma,302903.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Anthospermeae'],['Coprosma'],['Unknown'],4,0,4.9528191685676575 58017,2066,-1,,,,0.23820479,ISDB,NEJKEXUJCSYMCC-YJRPMJBWSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(40-9)41-11-6-13(31)17-15(7-11)42-25(10-3-4-12(30)14(5-10)39-2)26(20(17)34)44-28-24(38)22(36)19(33)16(8-29)43-28/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16-,18-,19-,21+,22+,23+,24-,27-,28+/m1/s1",COc1cc(-c2oc3cc(O[C@H]4O[C@H](C)[C@@H](O)[C@H](O)[C@@H]4O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C28H32O16,,624.169034944,NEJKEXUJCSYMCC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cardiocrinum cordatum,962648.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Liliales'],['Liliaceae'],['Unknown'],['Cardiocrinum'],['Cardiocrinum cordatum'],4,0,4.9528191685676575 58018,2066,-1,,,,0.23820479,ISDB,NEJKEXUJCSYMCC-ZLEZCFKXSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(40-9)41-11-6-13(31)17-15(7-11)42-25(10-3-4-12(30)14(5-10)39-2)26(20(17)34)44-28-24(38)22(36)19(33)16(8-29)43-28/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28+/m0/s1",COc1cc(-c2oc3cc(O[C@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)cc(O)c3c(=O)c2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C28H32O16,,624.169034944,NEJKEXUJCSYMCC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Hippophae rhamnoides,623185.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Elaeagnaceae'],['Unknown'],['Unknown'],['Hippophae rhamnoides'],4,0,4.9528191685676575 58019,2066,-1,,,,0.23820479,ISDB,NEJKEXUJCSYMCC-UHFFFAOYSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(40-9)41-11-6-13(31)17-15(7-11)42-25(10-3-4-12(30)14(5-10)39-2)26(20(17)34)44-28-24(38)22(36)19(33)16(8-29)43-28/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3",COc1cc(-c2oc3cc(OC4OC(C)C(O)C(O)C4O)cc(O)c3c(=O)c2OC2OC(CO)C(O)C(O)C2O)ccc1O,C28H32O16,,624.169034944,NEJKEXUJCSYMCC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Lathyrus chrysanthus,6095915.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Fabeae'],['Lathyrus'],['Lathyrus chrysanthus'],4,0,4.9528191685676575 58020,2066,-1,,,,0.23820479,ISDB,NEJKEXUJCSYMCC-SZBCTZJWSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(40-9)41-11-6-13(31)17-15(7-11)42-25(10-3-4-12(30)14(5-10)39-2)26(20(17)34)44-28-24(38)22(36)19(33)16(8-29)43-28/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16-,18-,19-,21+,22-,23-,24-,27-,28+/m0/s1",COc1cc(-c2oc3cc(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@@H]4O)cc(O)c3c(=O)c2O[C@H]2O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]2O)ccc1O,C28H32O16,,624.169034944,NEJKEXUJCSYMCC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Peumus boldus,913184.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Monimiaceae'],['Unknown'],['Peumus'],['Peumus boldus'],4,0,4.9528191685676575 58021,2066,-1,,,,0.23820479,ISDB,NEJKEXUJCSYMCC-NUBQEMHQSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(40-9)41-11-6-13(31)17-15(7-11)42-25(10-3-4-12(30)14(5-10)39-2)26(20(17)34)44-28-24(38)22(36)19(33)16(8-29)43-28/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9?,16?,18-,19+,21-,22?,23?,24?,27-,28-/m0/s1",COc1cc(-c2oc3cc(O[C@@H]4OC(C)[C@H](O)[C@H](O)C4O)cc(O)c3c(=O)c2O[C@@H]2OC(CO)[C@@H](O)C(O)C2O)ccc1O,C28H32O16,,624.1690349439999,NEJKEXUJCSYMCC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cleome ovalifolia,652888.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Cleomaceae'],['Unknown'],['Cleome'],['Cleome droserifolia'],4,0,4.9528191685676575 58022,2066,-1,,,,0.23820479,ISDB,NEJKEXUJCSYMCC-NUBQEMHQSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(40-9)41-11-6-13(31)17-15(7-11)42-25(10-3-4-12(30)14(5-10)39-2)26(20(17)34)44-28-24(38)22(36)19(33)16(8-29)43-28/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9?,16?,18-,19+,21-,22?,23?,24?,27-,28-/m0/s1",COc1cc(-c2oc3cc(O[C@@H]4OC(C)[C@H](O)[C@H](O)C4O)cc(O)c3c(=O)c2O[C@@H]2OC(CO)[C@@H](O)C(O)C2O)ccc1O,C28H32O16,,624.1690349439999,NEJKEXUJCSYMCC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cleome droserifolia,652888.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Cleomaceae'],['Unknown'],['Cleome'],['Cleome droserifolia'],4,0,4.9528191685676575 58023,2066,-1,,,,0.23820479,ISDB,NEJKEXUJCSYMCC-PXBUXKMDSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(40-9)41-11-6-13(31)17-15(7-11)42-25(10-3-4-12(30)14(5-10)39-2)26(20(17)34)44-28-24(38)22(36)19(33)16(8-29)43-28/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27-,28-/m0/s1",COc1cc(-c2oc3cc(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C28H32O16,,624.1690349439999,NEJKEXUJCSYMCC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Reseda luteola,359604.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Resedaceae'],['Unknown'],['Reseda'],['Reseda luteola'],4,0,4.9528191685676575 58024,2066,-1,,,,0.23820479,ISDB,NEJKEXUJCSYMCC-PXBUXKMDSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(40-9)41-11-6-13(31)17-15(7-11)42-25(10-3-4-12(30)14(5-10)39-2)26(20(17)34)44-28-24(38)22(36)19(33)16(8-29)43-28/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27-,28-/m0/s1",COc1cc(-c2oc3cc(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C28H32O16,,624.1690349439999,NEJKEXUJCSYMCC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Astragalus laxmannii,3925254.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus laxmannii'],4,0,4.9528191685676575 58009,2063,981,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.2051889,ISDB,TXLXNBLWYBIYQL-UHFFFAOYSA-N,"InChI=1S/C25H22O11/c26-7-17-20(28)21(29)22(30)25(35-17)36-23-14(27)3-1-10-5-12-13(8-32-24(12)31)18(19(10)23)11-2-4-15-16(6-11)34-9-33-15/h1-6,17,20-22,25-30H,7-9H2",O=C1OCc2c1cc1ccc(O)c(OC3OC(CO)C(O)C(O)C3O)c1c2-c1ccc2c(c1)OCO2,C25H22O11,,498.116211524,TXLXNBLWYBIYQL,Shikimates and Phenylpropanoids,,,Justicia hyssopifolia,6077298.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Acanthaceae'],['Justicieae'],['Justicia'],['Justicia hyssopifolia'],4,1,5.32075560092926 57951,2061,-1,,,,0.0,MS1_match,RNYZJZKPGHQTJR-UHFFFAOYSA-N,"InChI=1S/C5H4O2/c1-4-2-3-5(6)7-4/h2-3H,1H2",C=C1C=CC(=O)O1,C5H4O2,pos_1_1proton1acetonitrile,96.021129368,RNYZJZKPGHQTJR,Shikimates and Phenylpropanoids,,,Clematis vitalba,756499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis vitalba'],8,0,8.0 57952,2061,-1,,,,0.0,MS1_match,RNYZJZKPGHQTJR-UHFFFAOYSA-N,"InChI=1S/C5H4O2/c1-4-2-3-5(6)7-4/h2-3H,1H2",C=C1C=CC(=O)O1,C5H4O2,pos_1_1proton1acetonitrile,96.021129368,RNYZJZKPGHQTJR,Shikimates and Phenylpropanoids,,,Clematis recta,972679.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis recta'],8,0,8.0 57953,2061,-1,,,,0.0,MS1_match,RNYZJZKPGHQTJR-UHFFFAOYSA-N,"InChI=1S/C5H4O2/c1-4-2-3-5(6)7-4/h2-3H,1H2",C=C1C=CC(=O)O1,C5H4O2,pos_1_1proton1acetonitrile,96.021129368,RNYZJZKPGHQTJR,Shikimates and Phenylpropanoids,,,Clematis montana,970477.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis montana'],8,0,8.0 57954,2061,-1,,,,0.0,MS1_match,JLUQTCXCAFSSLD-UHFFFAOYSA-N,"InChI=1S/C10H8O4/c11-7-1-3-9(13-7)5-6-10(9)4-2-8(12)14-10/h1-4H,5-6H2",O=C1C=CC2(CCC23C=CC(=O)O3)O1,C10H8O4,pos_2_2proton2acetonitrile,192.042258736,JLUQTCXCAFSSLD,Shikimates and Phenylpropanoids,,,Clematis hirsutissima,3945124.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis hirsutissima'],8,0,8.0 57955,2061,-1,,,,0.0,MS1_match,RNYZJZKPGHQTJR-UHFFFAOYSA-N,"InChI=1S/C5H4O2/c1-4-2-3-5(6)7-4/h2-3H,1H2",C=C1C=CC(=O)O1,C5H4O2,pos_1_1proton1acetonitrile,96.021129368,RNYZJZKPGHQTJR,Shikimates and Phenylpropanoids,,,Clematis pubescens,446571.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis pubescens'],8,0,8.0 57956,2061,-1,,,,0.0,MS1_match,RNYZJZKPGHQTJR-UHFFFAOYSA-N,"InChI=1S/C5H4O2/c1-4-2-3-5(6)7-4/h2-3H,1H2",C=C1C=CC(=O)O1,C5H4O2,pos_1_1proton1acetonitrile,96.021129368,RNYZJZKPGHQTJR,Shikimates and Phenylpropanoids,,,Clematis microphylla,32689.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis microphylla'],8,0,8.0 57957,2061,-1,,,,0.0,MS1_match,RNYZJZKPGHQTJR-UHFFFAOYSA-N,"InChI=1S/C5H4O2/c1-4-2-3-5(6)7-4/h2-3H,1H2",C=C1C=CC(=O)O1,C5H4O2,pos_1_1proton1acetonitrile,96.021129368,RNYZJZKPGHQTJR,Shikimates and Phenylpropanoids,,,Clematis flammula,3945102.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis flammula'],8,0,8.0 57958,2061,-1,,,,0.0,MS1_match,RNYZJZKPGHQTJR-UHFFFAOYSA-N,"InChI=1S/C5H4O2/c1-4-2-3-5(6)7-4/h2-3H,1H2",C=C1C=CC(=O)O1,C5H4O2,pos_1_1proton1acetonitrile,96.021129368,RNYZJZKPGHQTJR,Shikimates and Phenylpropanoids,,,Clematis glycinoides,842003.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis glycinoides'],8,0,8.0 57959,2061,-1,,,,0.0,MS1_match,RNYZJZKPGHQTJR-UHFFFAOYSA-N,"InChI=1S/C5H4O2/c1-4-2-3-5(6)7-4/h2-3H,1H2",C=C1C=CC(=O)O1,C5H4O2,pos_1_1proton1acetonitrile,96.021129368,RNYZJZKPGHQTJR,Shikimates and Phenylpropanoids,,,Clematis gentianoides,72780.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis gentianoides'],8,0,8.0 57960,2061,-1,,,,0.0,MS1_match,RNYZJZKPGHQTJR-UHFFFAOYSA-N,"InChI=1S/C5H4O2/c1-4-2-3-5(6)7-4/h2-3H,1H2",C=C1C=CC(=O)O1,C5H4O2,pos_1_1proton1acetonitrile,96.021129368,RNYZJZKPGHQTJR,Shikimates and Phenylpropanoids,,,Clematis fawcettii,5737776.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis fawcettii'],8,0,8.0 57961,2061,-1,,,,0.0,MS1_match,RNYZJZKPGHQTJR-UHFFFAOYSA-N,"InChI=1S/C5H4O2/c1-4-2-3-5(6)7-4/h2-3H,1H2",C=C1C=CC(=O)O1,C5H4O2,pos_1_1proton1acetonitrile,96.021129368,RNYZJZKPGHQTJR,Shikimates and Phenylpropanoids,,,Clematis aristata,5737721.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis aristata'],8,0,8.0 57949,2060,-1,,,,0.5878038,ISDB,IPUNBNMYMPOIEC-OAZVDXGHSA-N,"InChI=1S/C13H19NO7/c1-3-6-5(2)11(19)14(12(6)20)13-10(18)9(17)8(16)7(4-15)21-13/h7-10,13,15-18H,3-4H2,1-2H3/t7-,8-,9+,10-,13-/m1/s1",CCC1=C(C)C(=O)N([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C1=O,C13H19NO7,,301.116151948,IPUNBNMYMPOIEC,,,,Staphylea bumalda,280397.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Crossosomatales'],['Staphyleaceae'],['Unknown'],['Staphylea'],['Staphylea bumalda'],4,0,6.351215124130249 57950,2060,-1,,,,0.5878038,ISDB,IPUNBNMYMPOIEC-OAZVDXGHSA-N,"InChI=1S/C13H19NO7/c1-3-6-5(2)11(19)14(12(6)20)13-10(18)9(17)8(16)7(4-15)21-13/h7-10,13,15-18H,3-4H2,1-2H3/t7-,8-,9+,10-,13-/m1/s1",CCC1=C(C)C(=O)N([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C1=O,C13H19NO7,,301.116151948,IPUNBNMYMPOIEC,,,,Garcinia mangostana,766177.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Clusiaceae'],['Garcinieae'],['Garcinia'],['Garcinia mangostana'],4,0,6.351215124130249 57937,2057,-1,,,,0.0,MS1_match,RTATXGUCZHCSNG-QHWHWDPRSA-N,"InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O15,pos_1_sodium,594.15847026,RTATXGUCZHCSNG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 57938,2057,-1,,,,0.0,MS1_match,SHPPXMGVUDNKLV-UHFFFAOYSA-N,"InChI=1S/C27H30O15/c1-9-20(33)22(35)24(37)26(38-9)42-25-23(36)21(34)18(8-28)41-27(25)39-11-5-14(31)19-15(32)7-16(40-17(19)6-11)10-2-3-12(29)13(30)4-10/h2-7,9,18,20-31,33-37H,8H2,1H3",CC1OC(OC2C(Oc3cc(O)c4c(=O)cc(-c5ccc(O)c(O)c5)oc4c3)OC(CO)C(O)C2O)C(O)C(O)C1O,C27H30O15,pos_1_sodium,594.15847026,SHPPXMGVUDNKLV,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 57939,2057,-1,,,,0.0,MS1_match,SHPPXMGVUDNKLV-CTZRMUNLSA-N,"InChI=1S/C27H30O15/c1-9-20(33)22(35)24(37)26(38-9)42-25-23(36)21(34)18(8-28)41-27(25)39-11-5-14(31)19-15(32)7-16(40-17(19)6-11)10-2-3-12(29)13(30)4-10/h2-7,9,18,20-31,33-37H,8H2,1H3/t9-,18+,20-,21+,22+,23-,24+,25+,26-,27?/m0/s1",C[C@@H]1O[C@@H](O[C@H]2C(Oc3cc(O)c4c(=O)cc(-c5ccc(O)c(O)c5)oc4c3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O15,pos_1_sodium,594.15847026,SHPPXMGVUDNKLV,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Lonicera gracilipes,920854.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera gracilipes'],7,0,7.0 57940,2057,-1,,,,0.0,MS1_match,SHPPXMGVUDNKLV-UHFFFAOYSA-N,"InChI=1S/C27H30O15/c1-9-20(33)22(35)24(37)26(38-9)42-25-23(36)21(34)18(8-28)41-27(25)39-11-5-14(31)19-15(32)7-16(40-17(19)6-11)10-2-3-12(29)13(30)4-10/h2-7,9,18,20-31,33-37H,8H2,1H3",CC1OC(OC2C(Oc3cc(O)c4c(=O)cc(-c5ccc(O)c(O)c5)oc4c3)OC(CO)C(O)C2O)C(O)C(O)C1O,C27H30O15,pos_1_sodium,594.15847026,SHPPXMGVUDNKLV,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 57941,2057,-1,,,,0.0,MS1_match,SHPPXMGVUDNKLV-CTZRMUNLSA-N,"InChI=1S/C27H30O15/c1-9-20(33)22(35)24(37)26(38-9)42-25-23(36)21(34)18(8-28)41-27(25)39-11-5-14(31)19-15(32)7-16(40-17(19)6-11)10-2-3-12(29)13(30)4-10/h2-7,9,18,20-31,33-37H,8H2,1H3/t9-,18+,20-,21+,22+,23-,24+,25+,26-,27?/m0/s1",C[C@@H]1O[C@@H](O[C@H]2C(Oc3cc(O)c4c(=O)cc(-c5ccc(O)c(O)c5)oc4c3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O15,pos_1_sodium,594.15847026,SHPPXMGVUDNKLV,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Lonicera gracilipes,920854.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera gracilipes'],7,0,7.0 57942,2057,-1,,,,0.0,MS1_match,USNPULRDBDVJAO-YRBSALHSSA-O,"InChI=1S/C27H30O15/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,28,29,30,31)/p+1/t9-,18+,19-,20+,21-,22+,23+,24+,26+,27+/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O)cc(O)cc4[o+]c3-c3ccc(O)c(O)c3)[C@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O,C27H31O15+,pos_1_sodium,595.16574671209,USNPULRDBDVJAO,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],7,0,7.0 57943,2057,-1,,,,0.0,MS1_match,XDMJJZUUHWWITI-IPOZFMEPSA-N,"InChI=1S/C27H30O15/c28-8-17-20(32)22(34)24(36)26(41-17)38-9-18-21(33)23(35)25(37)27(42-18)39-12-5-13(30)19-14(31)7-15(40-16(19)6-12)10-1-3-11(29)4-2-10/h1-7,17-18,20-30,32-37H,8-9H2/t17-,18-,20-,21-,22+,23+,24-,25-,26-,27-/m1/s1",O=c1cc(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C27H30O15,pos_1_sodium,594.15847026,XDMJJZUUHWWITI,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Lonicera gracilipes,920854.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera gracilipes'],7,0,7.0 57924,2056,220,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,OLUBXTYZCRTRJK-CONSDPRKSA-N,"InChI=1S/C39H44N2O8/c1-40-15-13-26-28(20-34(44-4)38(46-6)36(26)42)31(40)18-24-9-12-32(43-3)33(19-24)49-25-10-7-23(8-11-25)17-30-29-21-35(45-5)39-37(47-22-48-39)27(29)14-16-41(30)2/h7-12,19-21,30-31,42H,13-18,22H2,1-6H3/t30-,31-/m0/s1",COc1ccc(C[C@H]2c3cc(OC)c(OC)c(O)c3CCN2C)cc1Oc1ccc(C[C@H]2c3cc(OC)c4c(c3CCN2C)OCO4)cc1,C39H44N2O8,pos_2_1proton1potassium,668.309766368,OLUBXTYZCRTRJK,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Thalictrum atriplex,871204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum atriplex'],6,3,7.5 57926,2056,220,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,OLUBXTYZCRTRJK-CONSDPRKSA-N,"InChI=1S/C39H44N2O8/c1-40-15-13-26-28(20-34(44-4)38(46-6)36(26)42)31(40)18-24-9-12-32(43-3)33(19-24)49-25-10-7-23(8-11-25)17-30-29-21-35(45-5)39-37(47-22-48-39)27(29)14-16-41(30)2/h7-12,19-21,30-31,42H,13-18,22H2,1-6H3/t30-,31-/m0/s1",COc1ccc(C[C@H]2c3cc(OC)c(OC)c(O)c3CCN2C)cc1Oc1ccc(C[C@H]2c3cc(OC)c4c(c3CCN2C)OCO4)cc1,C39H44N2O8,pos_2_1proton1potassium,668.309766368,OLUBXTYZCRTRJK,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Thalictrum,190621.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Unknown'],6,3,7.5 57927,2056,220,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,XKFRUFRRLXHUFK-VMPREFPWSA-N,"InChI=1S/C39H44N2O8/c1-40-16-14-25-27-21-32(44-4)36(45-5)35(25)49-37-33-26(34(42)38(46-6)39(37)47-7)15-17-41(2)29(33)19-23-10-13-30(43-3)31(20-23)48-24-11-8-22(9-12-24)18-28(27)40/h8-13,20-21,28-29,42H,14-19H2,1-7H3/t28-,29-/m0/s1",COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(OC)c(OC)c(c3CCN1C)Oc1c(OC)c(OC)c(O)c3c1[C@H](C2)N(C)CC3,C39H44N2O8,pos_2_1proton1potassium,668.309766368,XKFRUFRRLXHUFK,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Thalictrum cultratum,583170.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum cultratum'],6,3,7.5 57928,2056,220,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,ISAXWGJWRBVOKL-AMEOFWRWSA-N,"InChI=1S/C39H44N2O8/c1-40-15-13-25-27-20-32(43-4)36(45-6)35(25)49-37-33-26(34(44-5)38-39(37)47-21-46-38)14-16-41(2)29(33)17-22-7-10-24(11-8-22)48-31-19-23(18-28(27)40)9-12-30(31)42-3/h7-12,19-20,25,27-29H,13-18,21H2,1-6H3/t25-,27-,28-,29-/m0/s1",COC1=C[C@H]2[C@@H]3CCN(C)[C@H]2Cc2ccc(OC)c(c2)Oc2ccc(cc2)C[C@H]2c4c(c(OC)c5c(c4OC3=C1OC)OCO5)CCN2C,C39H44N2O8,pos_2_1proton1potassium,668.309766368,ISAXWGJWRBVOKL,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Thalictrum foetidum,98303.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum foetidum'],6,3,7.5 57931,2056,220,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,CLAUJNOKVABGOJ-VMPREFPWSA-N,"InChI=1S/C39H44N2O8/c1-40-16-14-25-27-21-32(44-4)36(45-5)35(25)49-37-33-26(34(42)38(46-6)39(37)47-7)15-17-41(2)29(33)18-22-8-11-24(12-9-22)48-31-20-23(19-28(27)40)10-13-30(31)43-3/h8-13,20-21,28-29,42H,14-19H2,1-7H3/t28-,29-/m0/s1",COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(c(O)c(OC)c(OC)c3Oc3c4c(cc(OC)c3OC)[C@H](C2)N(C)CC4)CCN1C,C39H44N2O8,pos_2_1proton1potassium,668.309766368,CLAUJNOKVABGOJ,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Thalictrum minus,491705.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum minus'],6,3,7.5 57932,2056,220,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,CLAUJNOKVABGOJ-VMPREFPWSA-N,"InChI=1S/C39H44N2O8/c1-40-16-14-25-27-21-32(44-4)36(45-5)35(25)49-37-33-26(34(42)38(46-6)39(37)47-7)15-17-41(2)29(33)18-22-8-11-24(12-9-22)48-31-20-23(19-28(27)40)10-13-30(31)43-3/h8-13,20-21,28-29,42H,14-19H2,1-7H3/t28-,29-/m0/s1",COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(c(O)c(OC)c(OC)c3Oc3c4c(cc(OC)c3OC)[C@H](C2)N(C)CC4)CCN1C,C39H44N2O8,pos_2_1proton1potassium,668.309766368,CLAUJNOKVABGOJ,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Thalictrum delavayi,619774.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum delavayi'],6,3,7.5 57935,2056,220,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,OLUBXTYZCRTRJK-CONSDPRKSA-N,"InChI=1S/C39H44N2O8/c1-40-15-13-26-28(20-34(44-4)38(46-6)36(26)42)31(40)18-24-9-12-32(43-3)33(19-24)49-25-10-7-23(8-11-25)17-30-29-21-35(45-5)39-37(47-22-48-39)27(29)14-16-41(30)2/h7-12,19-21,30-31,42H,13-18,22H2,1-6H3/t30-,31-/m0/s1",COc1ccc(C[C@H]2c3cc(OC)c(OC)c(O)c3CCN2C)cc1Oc1ccc(C[C@H]2c3cc(OC)c4c(c3CCN2C)OCO4)cc1,C39H44N2O8,pos_2_1proton1potassium,668.309766368,OLUBXTYZCRTRJK,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Thalictrum minus,491705.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum minus'],6,3,7.5 57915,2055,917,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,0.0,MS1_match,TXQYRZYWFXMOTA-LNDQYQGUSA-N,"InChI=1S/C35H42O8/c1-22-20-28(42-32(38)26-17-11-8-12-18-26)31(41-24(3)37)34(6)29(39-19-13-16-25-14-9-7-10-15-25)21-27-30(40-23(2)36)35(22,34)43-33(27,4)5/h7-18,22,27-31H,19-21H2,1-6H3/b16-13+/t22-,27-,28+,29+,30-,31+,34-,35-/m1/s1",CC(=O)O[C@@H]1[C@H]2C[C@H](OC/C=C/c3ccccc3)[C@]3(C)[C@@H](OC(C)=O)[C@@H](OC(=O)c4ccccc4)C[C@@H](C)[C@@]13OC2(C)C,C35H42O8,pos_2_1proton1sodium,590.287968304,TXQYRZYWFXMOTA,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Celastrus orbiculatus,56757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Celastrus'],['Celastrus orbiculatus'],6,3,7.5 57902,2050,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.5645772,ISDB,BYDQKMZEOZVIJM-ZGCJARKRSA-N,"InChI=1S/C13H20/c1-5-6-9-12-11(2)8-7-10-13(12,3)4/h5-6,8-9H,7,10H2,1-4H3/b6-5-,12-9-",C/C=C\C=C1\C(C)=CCCC1(C)C,C13H20,,176.15650064,BYDQKMZEOZVIJM,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Passiflora edulis,183517.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Passifloraceae'],['Unknown'],['Passiflora'],['Passiflora edulis'],4,1,6.7583088874816895 57882,2047,138,Carbohydrates,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_sodium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Euonymus europaeus,806632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus europaeus'],7,3,8.5 57883,2047,138,Carbohydrates,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_sodium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Euonymus europaeus,806632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus europaeus'],7,3,8.5 57822,2042,7,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.2561324,ISDB,MWDFPCUZRNPYPD-PDPGQQONSA-N,"InChI=1S/C40H56O5/c1-22(2)24-17-26-28(19-30(24)42)40(10)16-12-14-38(7,8)35(40)34-33(26)44-36(45-34)27-18-25(23(3)4)31(43)20-29(27)39(9)15-11-13-37(5,6)32(39)21-41/h17-23,32-36,42-43H,11-16H2,1-10H3/t32-,33+,34-,35-,36+,39+,40+/m0/s1",CC(C)c1cc([C@H]2O[C@H]3[C@H](O2)c2cc(C(C)C)c(O)cc2[C@@]2(C)CCCC(C)(C)[C@H]32)c([C@@]2(C)CCCC(C)(C)[C@@H]2C=O)cc1O,C40H56O5,,616.412774892,MWDFPCUZRNPYPD,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinalia japonica,3979206.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Podochileae'],['Conchidium'],['Conchidium japonicum'],4,1,5.524529576301575 57823,2042,7,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.2561324,ISDB,MWDFPCUZRNPYPD-PDPGQQONSA-N,"InChI=1S/C40H56O5/c1-22(2)24-17-26-28(19-30(24)42)40(10)16-12-14-38(7,8)35(40)34-33(26)44-36(45-34)27-18-25(23(3)4)31(43)20-29(27)39(9)15-11-13-37(5,6)32(39)21-41/h17-23,32-36,42-43H,11-16H2,1-10H3/t32-,33+,34-,35-,36+,39+,40+/m0/s1",CC(C)c1cc([C@H]2O[C@H]3[C@H](O2)c2cc(C(C)C)c(O)cc2[C@@]2(C)CCCC(C)(C)[C@H]32)c([C@@]2(C)CCCC(C)(C)[C@@H]2C=O)cc1O,C40H56O5,,616.412774892,MWDFPCUZRNPYPD,Terpenoids,Diterpenoids,Abietane diterpenoids,Conchidium japonicum,3979206.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Podochileae'],['Conchidium'],['Conchidium japonicum'],4,1,5.524529576301575 57817,2039,390,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,0.0,MS1_match,QLJNETOQFQXTLI-JKUDBEEXSA-N,"InChI=1S/C26H32O11/c1-32-18-7-12(3-5-16(18)28)24-14-10-35-25(15(14)11-34-24)13-4-6-17(19(8-13)33-2)36-26-23(31)22(30)21(29)20(9-27)37-26/h3-8,14-15,20-31H,9-11H2,1-2H3/t14-,15-,20-,21-,22+,23-,24+,25+,26-/m1/s1",COc1cc([C@@H]2OC[C@@H]3[C@H]2CO[C@H]3c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)ccc1O,C26H32O11,pos_1_1proton1ammonium,520.1944618439999,QLJNETOQFQXTLI,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Clematis hexapetala,226633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis hexapetala'],8,3,9.5 57818,2039,390,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,0.0,MS1_match,QLJNETOQFQXTLI-JKUDBEEXSA-N,"InChI=1S/C26H32O11/c1-32-18-7-12(3-5-16(18)28)24-14-10-35-25(15(14)11-34-24)13-4-6-17(19(8-13)33-2)36-26-23(31)22(30)21(29)20(9-27)37-26/h3-8,14-15,20-31H,9-11H2,1-2H3/t14-,15-,20-,21-,22+,23-,24+,25+,26-/m1/s1",COc1cc([C@@H]2OC[C@@H]3[C@H]2CO[C@H]3c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)ccc1O,C26H32O11,pos_1_1proton1ammonium,520.1944618439999,QLJNETOQFQXTLI,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Clematis hexapetala,226633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis hexapetala'],8,3,9.5 57816,2037,-1,,,,0.0,MS1_match,ILEDWLMCKZNDJK-UHFFFAOYSA-N,"InChI=1S/C9H6O4/c10-6-3-5-1-2-9(12)13-8(5)4-7(6)11/h1-4,10-11H",O=c1ccc2cc(O)c(O)cc2o1,C9H6O4,pos_1_sodium,178.026608672,ILEDWLMCKZNDJK,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Ranunculus sieboldii,685187.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus sieboldii'],6,0,6.0 57798,2035,-1,,,,0.0,MS1_match,WKOLLVMJNQIZCI-UHFFFAOYSA-N,"InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)",COc1cc(C(=O)O)ccc1O,C8H8O4,pos_1_1proton1ammonium,168.042258736,WKOLLVMJNQIZCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Ranunculus ficaria,829312.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ficaria'],['Ficaria verna'],6,0,6.0 57799,2035,-1,,,,0.0,MS1_match,JRSACOBIDKCJGV-RKQHYHRCSA-N,"InChI=1S/C14H19NO8/c16-7-10-11(17)12(18)13(19)14(23-10)22-9-3-1-8(2-4-9)5-6-15(20)21/h1-4,10-14,16-19H,5-7H2/t10-,11-,12+,13-,14-/m1/s1",O=[N+]([O-])CCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,C14H19NO8,pos_2_2proton1acetonitrile,329.111066568,JRSACOBIDKCJGV,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Thalictrum aquilegifolium,815364.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum aquilegiifolium'],6,0,6.0 57800,2035,-1,,,,0.0,MS1_match,JRSACOBIDKCJGV-RKQHYHRCSA-N,"InChI=1S/C14H19NO8/c16-7-10-11(17)12(18)13(19)14(23-10)22-9-3-1-8(2-4-9)5-6-15(20)21/h1-4,10-14,16-19H,5-7H2/t10-,11-,12+,13-,14-/m1/s1",O=[N+]([O-])CCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,C14H19NO8,pos_2_2proton1acetonitrile,329.111066568,JRSACOBIDKCJGV,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Thalictrum aquilegiifolium,815364.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum aquilegiifolium'],6,0,6.0 57801,2035,-1,,,,0.0,MS1_match,IZZIWIAOVZOBLF-UHFFFAOYSA-N,"InChI=1S/C8H8O4/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4,9H,1H3,(H,10,11)",COc1ccc(O)c(C(=O)O)c1,C8H8O4,pos_1_1proton1ammonium,168.042258736,IZZIWIAOVZOBLF,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Thalictrum fargesii,124386.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum fargesii'],6,0,6.0 57802,2035,-1,,,,0.0,MS1_match,VXWUBYBAUIHOHG-DTLFHODZSA-N,"InChI=1S/C8H8O4/c9-5-2-1-4-3-6(10)12-8(4)7(5)11/h1-3,5,7-9,11H/t5-,7+,8+/m1/s1",O=C1C=C2C=C[C@@H](O)[C@H](O)[C@H]2O1,C8H8O4,pos_1_1proton1ammonium,168.042258736,VXWUBYBAUIHOHG,,,,Semiaquilegia adoxoides,781970.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Semiaquilegia'],['Semiaquilegia adoxoides'],6,0,6.0 57803,2035,-1,,,,0.0,MS1_match,MRIXVKKOHPQOFK-UHFFFAOYSA-N,"InChI=1S/C8H8O4/c1-12-5-2-3-6(8(10)11)7(9)4-5/h2-4,9H,1H3,(H,10,11)",COc1ccc(C(=O)O)c(O)c1,C8H8O4,pos_1_1proton1ammonium,168.042258736,MRIXVKKOHPQOFK,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Aconitum kongboense,723190.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum kongboense'],6,0,6.0 57804,2035,-1,,,,0.0,MS1_match,OLBNOBQOQZRLMP-UHFFFAOYSA-N,"InChI=1S/C8H8O4/c1-11-6-3-5(9)4-7(12-2)8(6)10/h3-4H,1-2H3",COC1=CC(=O)C=C(OC)C1=O,C8H8O4,pos_1_1proton1ammonium,168.042258736,OLBNOBQOQZRLMP,Polyketides,Aromatic polyketides,Benzoquinones,Adonis vernalis,693556.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Adonideae'],['Adonis'],['Adonis vernalis'],6,0,6.0 57805,2035,-1,,,,0.0,MS1_match,CUFLZUDASVUNOE-UHFFFAOYSA-N,"InChI=1S/C8H8O4/c1-12-8(11)5-2-3-6(9)7(10)4-5/h2-4,9-10H,1H3",COC(=O)c1ccc(O)c(O)c1,C8H8O4,pos_1_1proton1ammonium,168.042258736,CUFLZUDASVUNOE,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Delphinium venulosum,885408.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium venulosum'],6,0,6.0 57806,2035,-1,,,,0.0,MS1_match,WIIDBJNWXCWLKF-VVAXPEBGSA-N,"InChI=1S/C14H19NO8/c15-4-3-6-1-2-7(17)9(18)13(6)23-14-12(21)11(20)10(19)8(5-16)22-14/h1-3,7-14,16-21H,5H2/b6-3-/t7-,8-,9+,10-,11+,12-,13+,14+/m1/s1",N#C/C=C1/C=C[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H19NO8,pos_2_2proton1acetonitrile,329.111066568,WIIDBJNWXCWLKF,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Thalictrum orientale,6133349.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum orientale'],6,0,6.0 57807,2035,-1,,,,0.0,MS1_match,WIIDBJNWXCWLKF-VVAXPEBGSA-N,"InChI=1S/C14H19NO8/c15-4-3-6-1-2-7(17)9(18)13(6)23-14-12(21)11(20)10(19)8(5-16)22-14/h1-3,7-14,16-21H,5H2/b6-3-/t7-,8-,9+,10-,11+,12-,13+,14+/m1/s1",N#C/C=C1/C=C[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H19NO8,pos_2_2proton1acetonitrile,329.111066568,WIIDBJNWXCWLKF,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Semiaquilegia adoxoides,781970.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Semiaquilegia'],['Semiaquilegia adoxoides'],6,0,6.0 57098,2032,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.4138967,ISDB,RJZWGDPBGWGJNU-MTXIQXFFSA-N,"InChI=1S/C15H22O/c1-10(9-16)8-13-6-4-11(2)14-7-5-12(3)15(13)14/h8-9,11,13-14H,4-7H2,1-3H3/b10-8+/t11-,13+,14-/m1/s1",CC1=C2[C@H](/C=C(\C)C=O)CC[C@@H](C)[C@H]2CC1,C15H22O,,218.167065324,RJZWGDPBGWGJNU,Terpenoids,Sesquiterpenoids,Valerenane sesquiterpenoids,Valeriana wolgensis,5746446.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana wolgensis'],6,2,8.655586838722229 57099,2032,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.4138967,ISDB,RJZWGDPBGWGJNU-MTXIQXFFSA-N,"InChI=1S/C15H22O/c1-10(9-16)8-13-6-4-11(2)14-7-5-12(3)15(13)14/h8-9,11,13-14H,4-7H2,1-3H3/b10-8+/t11-,13+,14-/m1/s1",CC1=C2[C@H](/C=C(\C)C=O)CC[C@@H](C)[C@H]2CC1,C15H22O,,218.167065324,RJZWGDPBGWGJNU,Terpenoids,Sesquiterpenoids,Valerenane sesquiterpenoids,Nardostachys jatamansi,24101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Nardostachys'],['Nardostachys jatamansi'],6,2,8.655586838722229 57100,2032,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.4138967,ISDB,RJZWGDPBGWGJNU-MTXIQXFFSA-N,"InChI=1S/C15H22O/c1-10(9-16)8-13-6-4-11(2)14-7-5-12(3)15(13)14/h8-9,11,13-14H,4-7H2,1-3H3/b10-8+/t11-,13+,14-/m1/s1",CC1=C2[C@H](/C=C(\C)C=O)CC[C@@H](C)[C@H]2CC1,C15H22O,,218.167065324,RJZWGDPBGWGJNU,Terpenoids,Sesquiterpenoids,Valerenane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,2,8.655586838722229 57097,2030,216,,,,0.21134672,ISDB,,,,,,,BMNRKKFJIDDAOJ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.8453868627548218 57096,2025,200,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.6616301,ISDB,,,,,,,JRFNLYFCYVJQMF,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.6465203762054443 57089,2022,62,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.38862,ISDB,VRPSNHRJPVYMJT-VGVXJFJMSA-N,"InChI=1S/C20H22O8/c1-26-16-10-13(5-6-14(16)22)20(25)18(11-21)28-15-7-3-12(4-8-19(23)24)9-17(15)27-2/h3-10,18,20-22,25H,11H2,1-2H3,(H,23,24)/b8-4+/t18-,20+/m0/s1",COc1cc([C@@H](O)[C@H](CO)Oc2ccc(/C=C/C(=O)O)cc2OC)ccc1O,C20H22O8,,390.131467664,VRPSNHRJPVYMJT,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Aeschynanthus bracteatus,154188.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Gesneriaceae'],['Trichosporeae'],['Aeschynanthus'],['Aeschynanthus bracteatus'],4,0,5.554479956626892 57090,2022,62,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.38862,ISDB,VRPSNHRJPVYMJT-VGVXJFJMSA-N,"InChI=1S/C20H22O8/c1-26-16-10-13(5-6-14(16)22)20(25)18(11-21)28-15-7-3-12(4-8-19(23)24)9-17(15)27-2/h3-10,18,20-22,25H,11H2,1-2H3,(H,23,24)/b8-4+/t18-,20+/m0/s1",COc1cc([C@@H](O)[C@H](CO)Oc2ccc(/C=C/C(=O)O)cc2OC)ccc1O,C20H22O8,,390.131467664,VRPSNHRJPVYMJT,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum nigrum,494831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nigrum'],4,0,5.554479956626892 57030,2021,-1,,,,0.0,MS1_match,RNYZJZKPGHQTJR-UHFFFAOYSA-N,"InChI=1S/C5H4O2/c1-4-2-3-5(6)7-4/h2-3H,1H2",C=C1C=CC(=O)O1,C5H4O2,pos_1_1proton1acetonitrile,96.021129368,RNYZJZKPGHQTJR,Shikimates and Phenylpropanoids,,,Clematis vitalba,756499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis vitalba'],8,0,8.0 57031,2021,-1,,,,0.0,MS1_match,RNYZJZKPGHQTJR-UHFFFAOYSA-N,"InChI=1S/C5H4O2/c1-4-2-3-5(6)7-4/h2-3H,1H2",C=C1C=CC(=O)O1,C5H4O2,pos_1_1proton1acetonitrile,96.021129368,RNYZJZKPGHQTJR,Shikimates and Phenylpropanoids,,,Clematis recta,972679.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis recta'],8,0,8.0 57032,2021,-1,,,,0.0,MS1_match,RNYZJZKPGHQTJR-UHFFFAOYSA-N,"InChI=1S/C5H4O2/c1-4-2-3-5(6)7-4/h2-3H,1H2",C=C1C=CC(=O)O1,C5H4O2,pos_1_1proton1acetonitrile,96.021129368,RNYZJZKPGHQTJR,Shikimates and Phenylpropanoids,,,Clematis montana,970477.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis montana'],8,0,8.0 57033,2021,-1,,,,0.0,MS1_match,JLUQTCXCAFSSLD-UHFFFAOYSA-N,"InChI=1S/C10H8O4/c11-7-1-3-9(13-7)5-6-10(9)4-2-8(12)14-10/h1-4H,5-6H2",O=C1C=CC2(CCC23C=CC(=O)O3)O1,C10H8O4,pos_2_2proton2acetonitrile,192.042258736,JLUQTCXCAFSSLD,Shikimates and Phenylpropanoids,,,Clematis hirsutissima,3945124.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis hirsutissima'],8,0,8.0 57034,2021,-1,,,,0.0,MS1_match,RNYZJZKPGHQTJR-UHFFFAOYSA-N,"InChI=1S/C5H4O2/c1-4-2-3-5(6)7-4/h2-3H,1H2",C=C1C=CC(=O)O1,C5H4O2,pos_1_1proton1acetonitrile,96.021129368,RNYZJZKPGHQTJR,Shikimates and Phenylpropanoids,,,Clematis pubescens,446571.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis pubescens'],8,0,8.0 57035,2021,-1,,,,0.0,MS1_match,RNYZJZKPGHQTJR-UHFFFAOYSA-N,"InChI=1S/C5H4O2/c1-4-2-3-5(6)7-4/h2-3H,1H2",C=C1C=CC(=O)O1,C5H4O2,pos_1_1proton1acetonitrile,96.021129368,RNYZJZKPGHQTJR,Shikimates and Phenylpropanoids,,,Clematis microphylla,32689.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis microphylla'],8,0,8.0 57036,2021,-1,,,,0.0,MS1_match,RNYZJZKPGHQTJR-UHFFFAOYSA-N,"InChI=1S/C5H4O2/c1-4-2-3-5(6)7-4/h2-3H,1H2",C=C1C=CC(=O)O1,C5H4O2,pos_1_1proton1acetonitrile,96.021129368,RNYZJZKPGHQTJR,Shikimates and Phenylpropanoids,,,Clematis flammula,3945102.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis flammula'],8,0,8.0 57037,2021,-1,,,,0.0,MS1_match,RNYZJZKPGHQTJR-UHFFFAOYSA-N,"InChI=1S/C5H4O2/c1-4-2-3-5(6)7-4/h2-3H,1H2",C=C1C=CC(=O)O1,C5H4O2,pos_1_1proton1acetonitrile,96.021129368,RNYZJZKPGHQTJR,Shikimates and Phenylpropanoids,,,Clematis glycinoides,842003.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis glycinoides'],8,0,8.0 57038,2021,-1,,,,0.0,MS1_match,RNYZJZKPGHQTJR-UHFFFAOYSA-N,"InChI=1S/C5H4O2/c1-4-2-3-5(6)7-4/h2-3H,1H2",C=C1C=CC(=O)O1,C5H4O2,pos_1_1proton1acetonitrile,96.021129368,RNYZJZKPGHQTJR,Shikimates and Phenylpropanoids,,,Clematis gentianoides,72780.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis gentianoides'],8,0,8.0 57039,2021,-1,,,,0.0,MS1_match,RNYZJZKPGHQTJR-UHFFFAOYSA-N,"InChI=1S/C5H4O2/c1-4-2-3-5(6)7-4/h2-3H,1H2",C=C1C=CC(=O)O1,C5H4O2,pos_1_1proton1acetonitrile,96.021129368,RNYZJZKPGHQTJR,Shikimates and Phenylpropanoids,,,Clematis aristata,5737721.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis aristata'],8,0,8.0 57040,2021,-1,,,,0.0,MS1_match,RNYZJZKPGHQTJR-UHFFFAOYSA-N,"InChI=1S/C5H4O2/c1-4-2-3-5(6)7-4/h2-3H,1H2",C=C1C=CC(=O)O1,C5H4O2,pos_1_1proton1acetonitrile,96.021129368,RNYZJZKPGHQTJR,Shikimates and Phenylpropanoids,,,Clematis fawcettii,5737776.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis fawcettii'],8,0,8.0 57026,2019,116,Alkaloids,Ornithine alkaloids,Polyamines,0.485146,ISDB,KTZNZCYTXQYEHT-GQCTYLIASA-N,"InChI=1S/C13H18N2O3/c14-7-1-2-8-15-13(18)6-4-10-3-5-11(16)12(17)9-10/h3-6,9,16-17H,1-2,7-8,14H2,(H,15,18)/b6-4+",NCCCCNC(=O)/C=C/c1ccc(O)c(O)c1,C13H18N2O3,,250.131742436,KTZNZCYTXQYEHT,Alkaloids,Ornithine alkaloids,Polyamines,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],4,3,7.440583944320679 57027,2019,116,Alkaloids,Ornithine alkaloids,Polyamines,0.485146,ISDB,KTZNZCYTXQYEHT-GQCTYLIASA-N,"InChI=1S/C13H18N2O3/c14-7-1-2-8-15-13(18)6-4-10-3-5-11(16)12(17)9-10/h3-6,9,16-17H,1-2,7-8,14H2,(H,15,18)/b6-4+",NCCCCNC(=O)/C=C/c1ccc(O)c(O)c1,C13H18N2O3,,250.131742436,KTZNZCYTXQYEHT,Alkaloids,Ornithine alkaloids,Polyamines,Iochroma cyaneum,974496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma cyaneum'],4,3,7.440583944320679 57028,2019,116,Alkaloids,Ornithine alkaloids,Polyamines,0.485146,ISDB,KTZNZCYTXQYEHT-UHFFFAOYSA-N,"InChI=1S/C13H18N2O3/c14-7-1-2-8-15-13(18)6-4-10-3-5-11(16)12(17)9-10/h3-6,9,16-17H,1-2,7-8,14H2,(H,15,18)",NCCCCNC(=O)C=Cc1ccc(O)c(O)c1,C13H18N2O3,,250.131742436,KTZNZCYTXQYEHT,Alkaloids,Ornithine alkaloids,Polyamines,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],4,3,7.440583944320679 57015,2014,345,Shikimates and Phenylpropanoids,Lignans,Naphthalenes and derivatives,0.0,MS1_match,KNFOHFRALRKTOJ-SAOYRWCPSA-N,"InChI=1S/C26H34O11/c1-33-19-8-13(3-5-17(19)29)7-15-12-35-25(16(15)10-27)14-4-6-18(20(9-14)34-2)36-26-24(32)23(31)22(30)21(11-28)37-26/h3-6,8-9,15-16,21-32H,7,10-12H2,1-2H3/t15-,16-,21+,22+,23-,24+,25+,26+/m0/s1",COc1cc(C[C@H]2CO[C@H](c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c3)[C@H]2CO)ccc1O,C26H34O11,pos_1_1proton1ammonium,522.2101119079998,KNFOHFRALRKTOJ,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Clematis stans,21283.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis stans'],8,2,9.0 57016,2014,345,Shikimates and Phenylpropanoids,Lignans,Naphthalenes and derivatives,0.0,MS1_match,KNFOHFRALRKTOJ-DTIHIKGDSA-N,"InChI=1S/C26H34O11/c1-33-19-8-13(3-5-17(19)29)7-15-12-35-25(16(15)10-27)14-4-6-18(20(9-14)34-2)36-26-24(32)23(31)22(30)21(11-28)37-26/h3-6,8-9,15-16,21-32H,7,10-12H2,1-2H3/t15-,16-,21-,22-,23+,24-,25+,26-/m1/s1",COc1cc(C[C@@H]2CO[C@@H](c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c3)[C@@H]2CO)ccc1O,C26H34O11,pos_1_1proton1ammonium,522.2101119079998,KNFOHFRALRKTOJ,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Clematis hexapetala,226633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis hexapetala'],8,2,9.0 57017,2014,345,Shikimates and Phenylpropanoids,Lignans,Naphthalenes and derivatives,0.0,MS1_match,GAYKAIAESJROGN-SAOYRWCPSA-N,"InChI=1S/C26H34O11/c1-33-19-9-14(4-5-17(19)29)25-16(10-27)15(12-35-25)7-13-3-6-18(20(8-13)34-2)36-26-24(32)23(31)22(30)21(11-28)37-26/h3-6,8-9,15-16,21-32H,7,10-12H2,1-2H3/t15-,16-,21+,22+,23-,24+,25+,26+/m0/s1",COc1cc([C@H]2OC[C@H](Cc3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c3)[C@@H]2CO)ccc1O,C26H34O11,pos_1_1proton1ammonium,522.2101119079998,GAYKAIAESJROGN,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Clematis stans,21283.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis stans'],8,2,9.0 57018,2014,345,Shikimates and Phenylpropanoids,Lignans,Naphthalenes and derivatives,0.0,MS1_match,GAYKAIAESJROGN-DTIHIKGDSA-N,"InChI=1S/C26H34O11/c1-33-19-9-14(4-5-17(19)29)25-16(10-27)15(12-35-25)7-13-3-6-18(20(8-13)34-2)36-26-24(32)23(31)22(30)21(11-28)37-26/h3-6,8-9,15-16,21-32H,7,10-12H2,1-2H3/t15-,16-,21-,22-,23+,24-,25+,26-/m1/s1",COc1cc([C@@H]2OC[C@@H](Cc3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c3)[C@H]2CO)ccc1O,C26H34O11,pos_1_1proton1ammonium,522.210111908,GAYKAIAESJROGN,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Clematis hexapetala,226633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis hexapetala'],8,2,9.0 57019,2014,345,Shikimates and Phenylpropanoids,Lignans,Naphthalenes and derivatives,0.0,MS1_match,GAYKAIAESJROGN-SAOYRWCPSA-N,"InChI=1S/C26H34O11/c1-33-19-9-14(4-5-17(19)29)25-16(10-27)15(12-35-25)7-13-3-6-18(20(8-13)34-2)36-26-24(32)23(31)22(30)21(11-28)37-26/h3-6,8-9,15-16,21-32H,7,10-12H2,1-2H3/t15-,16-,21+,22+,23-,24+,25+,26+/m0/s1",COc1cc([C@H]2OC[C@H](Cc3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c3)[C@@H]2CO)ccc1O,C26H34O11,pos_1_1proton1ammonium,522.2101119079998,GAYKAIAESJROGN,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Clematis stans,21283.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis stans'],8,2,9.0 57020,2014,345,Shikimates and Phenylpropanoids,Lignans,Naphthalenes and derivatives,0.0,MS1_match,GAYKAIAESJROGN-DTIHIKGDSA-N,"InChI=1S/C26H34O11/c1-33-19-9-14(4-5-17(19)29)25-16(10-27)15(12-35-25)7-13-3-6-18(20(8-13)34-2)36-26-24(32)23(31)22(30)21(11-28)37-26/h3-6,8-9,15-16,21-32H,7,10-12H2,1-2H3/t15-,16-,21-,22-,23+,24-,25+,26-/m1/s1",COc1cc([C@@H]2OC[C@@H](Cc3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c3)[C@H]2CO)ccc1O,C26H34O11,pos_1_1proton1ammonium,522.210111908,GAYKAIAESJROGN,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Clematis hexapetala,226633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis hexapetala'],8,2,9.0 56689,2013,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.6231626,ISDB,XMOCLSLCDHWDHP-IUODEOHRSA-N,"InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O)c(O)c1)[C@H](O)C2,C15H14O7,,306.073952788,XMOCLSLCDHWDHP,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Gymnosporia senegalensis,170566.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Gymnosporia'],['Gymnosporia senegalensis'],6,2,9.492650508880615 56690,2013,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.6231626,ISDB,XMOCLSLCDHWDHP-IUODEOHRSA-N,"InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O)c(O)c1)[C@H](O)C2,C15H14O7,,306.073952788,XMOCLSLCDHWDHP,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Gymnosporia montana,5513373.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Gymnosporia'],['Gymnosporia montana'],6,2,9.492650508880615 56691,2013,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.6231626,ISDB,XMOCLSLCDHWDHP-SWLSCSKDSA-N,"InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O)c(O)c1)[C@@H](O)C2,C15H14O7,,306.073952788,XMOCLSLCDHWDHP,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Maytenus disticha,418523.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Maytenus'],['Maytenus disticha'],6,2,9.492650508880615 56692,2013,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.6231626,ISDB,XMOCLSLCDHWDHP-IUODEOHRSA-N,"InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O)c(O)c1)[C@H](O)C2,C15H14O7,,306.073952788,XMOCLSLCDHWDHP,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Salacia chinensis,380833.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Salacia'],['Salacia chinensis'],6,2,9.492650508880615 56693,2013,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.6231626,ISDB,XMOCLSLCDHWDHP-IUODEOHRSA-N,"InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O)c(O)c1)[C@H](O)C2,C15H14O7,,306.073952788,XMOCLSLCDHWDHP,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Salacia reticulata,5750051.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Salacia'],['Salacia reticulata'],6,2,9.492650508880615 56694,2013,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.6231626,ISDB,XMOCLSLCDHWDHP-UHFFFAOYSA-N,"InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2",Oc1cc(O)c2c(c1)OC(c1cc(O)c(O)c(O)c1)C(O)C2,C15H14O7,,306.073952788,XMOCLSLCDHWDHP,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Maytenus retusa,7631457.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Monteverdia'],['Monteverdia retusa'],6,2,9.492650508880615 56695,2013,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.6231626,ISDB,XMOCLSLCDHWDHP-SWLSCSKDSA-N,"InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O)c(O)c1)[C@@H](O)C2,C15H14O7,,306.073952788,XMOCLSLCDHWDHP,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Celastrus flagellaris,709260.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Celastrus'],['Celastrus flagellaris'],6,2,9.492650508880615 56696,2013,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.6231626,ISDB,XMOCLSLCDHWDHP-IUODEOHRSA-N,"InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O)c(O)c1)[C@H](O)C2,C15H14O7,,306.073952788,XMOCLSLCDHWDHP,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Monteverdia aquifolium,1060183.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Monteverdia'],['Monteverdia aquifolia'],6,2,9.492650508880615 56685,2011,-1,,,,0.22921485,ISDB,DAGSQWZZMKIIOU-YECZKKJWSA-N,"InChI=1S/C16H30O8/c1-5-16(4,22)7-6-10(18)15(2,3)24-14-13(21)12(20)11(19)9(8-17)23-14/h5,9-14,17-22H,1,6-8H2,2-4H3/t9-,10+,11-,12+,13-,14+,16+/m1/s1",C=C[C@](C)(O)CC[C@H](O)C(C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H30O8,,350.19406792,DAGSQWZZMKIIOU,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Diplospora dubia,729058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Coffeeae'],['Diplospora'],['Diplospora dubia'],4,0,4.91685938835144 56686,2011,-1,,,,0.22921485,ISDB,DAGSQWZZMKIIOU-NBGILSABSA-N,"InChI=1S/C16H30O8/c1-5-16(4,22)7-6-10(18)15(2,3)24-14-13(21)12(20)11(19)9(8-17)23-14/h5,9-14,17-22H,1,6-8H2,2-4H3/t9-,10+,11-,12+,13-,14+,16-/m1/s1",C=C[C@@](C)(O)CC[C@H](O)C(C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H30O8,,350.19406792,DAGSQWZZMKIIOU,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Solenostemma argel,779101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Asclepiadeae'],['Solenostemma'],['Solenostemma argel'],4,0,4.91685938835144 56687,2011,-1,,,,0.22921485,ISDB,DAGSQWZZMKIIOU-NBGILSABSA-N,"InChI=1S/C16H30O8/c1-5-16(4,22)7-6-10(18)15(2,3)24-14-13(21)12(20)11(19)9(8-17)23-14/h5,9-14,17-22H,1,6-8H2,2-4H3/t9-,10+,11-,12+,13-,14+,16-/m1/s1",C=C[C@@](C)(O)CC[C@H](O)C(C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H30O8,,350.19406792,DAGSQWZZMKIIOU,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Solenostemma oleifolium,6064974.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Asclepiadeae'],['Solenostemma'],['Solenostemma arghel'],4,0,4.91685938835144 56523,2008,1,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.38105804,ISDB,LPOVXLVQNSEZGE-PMRPVAAPSA-N,"InChI=1S/C17H24O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,10-14,16-18,20-22H,3-4H2,1-2H3/t6-,7+,10+,11+,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1CC(=O)[C@@H]2C,C17H24O10,,388.1369469679999,LPOVXLVQNSEZGE,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera morrowii,484242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],7,3,10.024232149124146 56524,2008,1,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.38105804,ISDB,LPOVXLVQNSEZGE-UHFFFAOYSA-N,"InChI=1S/C17H24O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,10-14,16-18,20-22H,3-4H2,1-2H3",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(C)C(=O)CC12,C17H24O10,,388.1369469679999,LPOVXLVQNSEZGE,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],7,3,10.024232149124146 56485,2006,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euonymus alatus,601141.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus alatus'],8,3,9.5 56322,2005,437,Terpenoids,Steroids,Cholestane steroids,0.6222751,ISDB,GQVCGTRDXSDAHC-DDUFMXSOSA-N,"InChI=1S/C29H48O3/c1-18(2)19(3)8-9-20(4)23-10-11-24-22-16-26(32-7)29(31)17-21(30)12-15-28(29,6)25(22)13-14-27(23,24)5/h8-9,16,18-21,23-26,30-31H,10-15,17H2,1-7H3/b9-8+/t19-,20+,21-,23+,24-,25-,26-,27+,28+,29-/m0/s1",CO[C@H]1C=C2[C@@H]3CC[C@H]([C@H](C)/C=C/[C@H](C)C(C)C)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@H](O)C[C@]12O,C29H48O3,,444.360345396,GQVCGTRDXSDAHC,Terpenoids,Steroids,Cholestane steroids,Mallotus nudiflorus,375532.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Mallotus'],['Mallotus nudiflorus'],4,3,7.989100456237793 56323,2005,437,Terpenoids,Steroids,Cholestane steroids,0.6222751,ISDB,GQVCGTRDXSDAHC-UHFFFAOYSA-N,"InChI=1S/C29H48O3/c1-18(2)19(3)8-9-20(4)23-10-11-24-22-16-26(32-7)29(31)17-21(30)12-15-28(29,6)25(22)13-14-27(23,24)5/h8-9,16,18-21,23-26,30-31H,10-15,17H2,1-7H3",COC1C=C2C3CCC(C(C)C=CC(C)C(C)C)C3(C)CCC2C2(C)CCC(O)CC12O,C29H48O3,,444.360345396,GQVCGTRDXSDAHC,Terpenoids,Steroids,Cholestane steroids,Trewia nudiflora,375532.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Mallotus'],['Mallotus nudiflorus'],4,3,7.989100456237793 56321,2004,116,Alkaloids,Ornithine alkaloids,Polyamines,0.33987343,ISDB,,,,,,,BNJUSZBEUIOHKF,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.3594937324523926 56318,2003,80,Terpenoids,Tryptophan alkaloids,Carbazole alkaloids,0.6008531,ISDB,BDUAKLHVCJVMNM-UHFFFAOYSA-N,"InChI=1S/C36H38N4O5/c1-9-20-16(3)23-13-25-18(5)22(11-12-29(41)44-7)33(39-25)31-32(36(43)45-8)35(42)30-19(6)26(40-34(30)31)15-28-21(10-2)17(4)24(38-28)14-27(20)37-23/h9,13-15,18,22,32,37-38H,1,10-12H2,2-8H3",C=Cc1c(C)c2cc3nc(c4c5nc(cc6[nH]c(cc1[nH]2)c(C)c6CC)C(C)=C5C(=O)C4C(=O)OC)C(CCC(=O)OC)C3C,C36H38N4O5,,606.2842203160001,BDUAKLHVCJVMNM,Alkaloids,Tryptophan alkaloids,Carbazole alkaloids,Clerodendrum cyrtophyllum,886107.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Clerodendrum'],['Clerodendrum cyrtophyllum'],4,3,7.903412342071533 56319,2003,80,Terpenoids,Tryptophan alkaloids,Carbazole alkaloids,0.6008531,ISDB,BDUAKLHVCJVMNM-UHFFFAOYSA-N,"InChI=1S/C36H38N4O5/c1-9-20-16(3)23-13-25-18(5)22(11-12-29(41)44-7)33(39-25)31-32(36(43)45-8)35(42)30-19(6)26(40-34(30)31)15-28-21(10-2)17(4)24(38-28)14-27(20)37-23/h9,13-15,18,22,32,37-38H,1,10-12H2,2-8H3",C=Cc1c(C)c2cc3nc(c4c5nc(cc6[nH]c(cc1[nH]2)c(C)c6CC)C(C)=C5C(=O)C4C(=O)OC)C(CCC(=O)OC)C3C,C36H38N4O5,,606.2842203160001,BDUAKLHVCJVMNM,Alkaloids,Tryptophan alkaloids,Carbazole alkaloids,Clerodendrum calamitosum,6086132.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Clerodendrum'],['Clerodendrum calamitosum'],4,3,7.903412342071533 56297,2002,200,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.8754678,ISDB,HAIPHKFLSXSDAN-BLOCXYQCSA-N,"InChI=1S/C44H76NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-17-15-13-11-9-7-2/h8,10,14,16,19-20,22-23,25,27,31,33,42H,6-7,9,11-13,15,17-18,21,24,26,28-30,32,34-41H2,1-5H3/b10-8-,16-14-,20-19-,23-22-,27-25-,33-31-/t42-/m1/s1",CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C,C44H76NO8P,,777.530855022,HAIPHKFLSXSDAN,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Aphis gossypii,1026471.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hemiptera'],['Aphididae'],['Aphidini'],['Aphis'],['Aphis gossypii'],1,3,6.001871109008789 56298,2002,200,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.8754678,ISDB,HAIPHKFLSXSDAN-BLOCXYQCSA-N,"InChI=1S/C44H76NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-17-15-13-11-9-7-2/h8,10,14,16,19-20,22-23,25,27,31,33,42H,6-7,9,11-13,15,17-18,21,24,26,28-30,32,34-41H2,1-5H3/b10-8-,16-14-,20-19-,23-22-,27-25-,33-31-/t42-/m1/s1",CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C,C44H76NO8P,,777.530855022,HAIPHKFLSXSDAN,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Lysiphlebia japonica,697724.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hymenoptera'],['Braconidae'],['Unknown'],['Lysiphlebia'],['Lysiphlebia japonica'],1,3,6.001871109008789 56253,2001,1337,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 56254,2001,1337,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 56255,2001,1337,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 56245,1999,1060,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,HUVIXLWRQSMCLN-PXRCHJMLSA-N,"InChI=1S/C19H30O11/c1-5-9-10(6-13(25-2)26-3)11(17(24)27-4)8-28-18(9)30-19-16(23)15(22)14(21)12(7-20)29-19/h5,8-10,12-16,18-23H,1,6-7H2,2-4H3/t9-,10+,12-,14-,15+,16-,18+,19+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC(OC)OC,C19H30O11,pos_1_1proton1ammonium,434.1788117799998,HUVIXLWRQSMCLN,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],7,3,8.5 56246,1999,1060,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,HUVIXLWRQSMCLN-PXRCHJMLSA-N,"InChI=1S/C19H30O11/c1-5-9-10(6-13(25-2)26-3)11(17(24)27-4)8-28-18(9)30-19-16(23)15(22)14(21)12(7-20)29-19/h5,8-10,12-16,18-23H,1,6-7H2,2-4H3/t9-,10+,12-,14-,15+,16-,18+,19+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC(OC)OC,C19H30O11,pos_1_1proton1ammonium,434.1788117799998,HUVIXLWRQSMCLN,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 56247,1999,1060,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,HUVIXLWRQSMCLN-UHFFFAOYSA-N,"InChI=1S/C19H30O11/c1-5-9-10(6-13(25-2)26-3)11(17(24)27-4)8-28-18(9)30-19-16(23)15(22)14(21)12(7-20)29-19/h5,8-10,12-16,18-23H,1,6-7H2,2-4H3",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC(OC)OC,C19H30O11,pos_1_1proton1ammonium,434.17881178,HUVIXLWRQSMCLN,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera,649885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Unknown'],7,3,8.5 56248,1999,1060,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,HUVIXLWRQSMCLN-PXRCHJMLSA-N,"InChI=1S/C19H30O11/c1-5-9-10(6-13(25-2)26-3)11(17(24)27-4)8-28-18(9)30-19-16(23)15(22)14(21)12(7-20)29-19/h5,8-10,12-16,18-23H,1,6-7H2,2-4H3/t9-,10+,12-,14-,15+,16-,18+,19+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC(OC)OC,C19H30O11,pos_1_1proton1ammonium,434.1788117799998,HUVIXLWRQSMCLN,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],7,3,8.5 56249,1999,1060,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,HUVIXLWRQSMCLN-PXRCHJMLSA-N,"InChI=1S/C19H30O11/c1-5-9-10(6-13(25-2)26-3)11(17(24)27-4)8-28-18(9)30-19-16(23)15(22)14(21)12(7-20)29-19/h5,8-10,12-16,18-23H,1,6-7H2,2-4H3/t9-,10+,12-,14-,15+,16-,18+,19+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC(OC)OC,C19H30O11,pos_1_1proton1ammonium,434.1788117799998,HUVIXLWRQSMCLN,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 56250,1999,1060,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,HUVIXLWRQSMCLN-UHFFFAOYSA-N,"InChI=1S/C19H30O11/c1-5-9-10(6-13(25-2)26-3)11(17(24)27-4)8-28-18(9)30-19-16(23)15(22)14(21)12(7-20)29-19/h5,8-10,12-16,18-23H,1,6-7H2,2-4H3",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC(OC)OC,C19H30O11,pos_1_1proton1ammonium,434.17881178,HUVIXLWRQSMCLN,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera,649885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Unknown'],7,3,8.5 56227,1998,-1,,,,0.38054895,ISDB,NSOPGAYUGBZWHL-UHFFFAOYSA-N,"InChI=1S/C39H64O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,37,40H,3-4,9-10,15-16,21-36H2,1-2H3",CCC=CCC=CCC=CCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCC=CCC=CCC=CCC,C39H64O5,,612.475375148,NSOPGAYUGBZWHL,Fatty acids,Glycerolipids,Triacylglycerols,Angelica sinensis,182228.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Selineae'],['Angelica'],['Angelica sinensis'],4,0,5.522195816040039 56228,1998,-1,,,,0.38054895,ISDB,NSOPGAYUGBZWHL-UHFFFAOYSA-N,"InChI=1S/C39H64O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,37,40H,3-4,9-10,15-16,21-36H2,1-2H3",CCC=CCC=CCC=CCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCC=CCC=CCC=CCC,C39H64O5,,612.475375148,NSOPGAYUGBZWHL,Fatty acids,Glycerolipids,Triacylglycerols,Halimodendron halodendron,761641.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Caraganeae'],['Halimodendron'],['Halimodendron halodendron'],4,0,5.522195816040039 56229,1998,-1,,,,0.38054895,ISDB,NSOPGAYUGBZWHL-YTWBPVBXSA-N,"InChI=1S/C39H64O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,37,40H,3-4,9-10,15-16,21-36H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C39H64O5,,612.475375148,NSOPGAYUGBZWHL,Fatty acids,Glycerolipids,Triacylglycerols,Glycine max,681762.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Glycine max'],4,0,5.522195816040039 56225,1997,80,Terpenoids,Tryptophan alkaloids,Carbazole alkaloids,0.5969189,ISDB,DOFYAVLOCYRMIV-ULTRRKBWSA-N,"InChI=1S/C36H38N4O6/c1-9-20-16(3)23-13-25-18(5)22(11-12-29(41)45-7)32(39-25)31-33-30(34(42)36(31,44)35(43)46-8)19(6)26(40-33)15-28-21(10-2)17(4)24(38-28)14-27(20)37-23/h9,13-15,18,22,37,40,44H,1,10-12H2,2-8H3/t18-,22-,36-/m0/s1",C=Cc1c(C)c2cc3nc(c4c5[nH]c(cc6nc(cc1[nH]2)C(C)=C6CC)c(C)c5C(=O)[C@]4(O)C(=O)OC)[C@@H](CCC(=O)OC)[C@@H]3C,C36H38N4O6,,622.2791349360001,DOFYAVLOCYRMIV,Alkaloids,Tryptophan alkaloids,Carbazole alkaloids,Clerodendrum calamitosum,6086132.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Clerodendrum'],['Clerodendrum calamitosum'],4,3,7.887675523757935 56221,1995,116,Alkaloids,Ornithine alkaloids,Polyamines,0.0,MS1_match,CXYBYAWSZRGLLP-FQEVSTJZSA-N,"InChI=1S/C30H35NO7/c1-31-11-10-18-13-25(36-6)30(38-22-15-24(35-5)23(34-4)14-19(22)16-32-2)28-26(18)20(31)12-17-8-9-21(33-3)29(37-7)27(17)28/h8-9,13-15,20H,10-12,16H2,1-7H3/t20-/m0/s1",COCc1cc(OC)c(OC)cc1Oc1c(OC)cc2c3c1-c1c(ccc(OC)c1OC)C[C@@H]3N(C)CC2,C30H35NO7,pos_2_2proton3acetonitrile,521.24135246,CXYBYAWSZRGLLP,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Thalictrum urbainii,753952.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum urbainii'],6,1,6.5 56222,1995,116,Alkaloids,Ornithine alkaloids,Polyamines,0.0,MS1_match,CXYBYAWSZRGLLP-UHFFFAOYSA-N,"InChI=1S/C30H35NO7/c1-31-11-10-18-13-25(36-6)30(38-22-15-24(35-5)23(34-4)14-19(22)16-32-2)28-26(18)20(31)12-17-8-9-21(33-3)29(37-7)27(17)28/h8-9,13-15,20H,10-12,16H2,1-7H3",COCc1cc(OC)c(OC)cc1Oc1c(OC)cc2c3c1-c1c(ccc(OC)c1OC)CC3N(C)CC2,C30H35NO7,pos_2_2proton3acetonitrile,521.24135246,CXYBYAWSZRGLLP,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Thalictrum tuberiferum,338809.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum tuberiferum'],6,1,6.5 56212,1992,116,Alkaloids,Ornithine alkaloids,Polyamines,0.5196094,ISDB,CJHDBEPXEKGBDW-VMPITWQZSA-N,"InChI=1S/C13H18N2O2/c14-9-1-2-10-15-13(17)8-5-11-3-6-12(16)7-4-11/h3-8,16H,1-2,9-10,14H2,(H,15,17)/b8-5+",NCCCCNC(=O)/C=C/c1ccc(O)cc1,C13H18N2O2,,234.136827816,CJHDBEPXEKGBDW,Alkaloids,Ornithine alkaloids,Polyamines,Colocasia esculenta,1008203.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Alismatales'],['Araceae'],['Colocasieae'],['Colocasia'],['Colocasia esculenta'],4,3,7.578437566757202 56213,1992,116,Alkaloids,Ornithine alkaloids,Polyamines,0.5196094,ISDB,CJHDBEPXEKGBDW-UHFFFAOYSA-N,"InChI=1S/C13H18N2O2/c14-9-1-2-10-15-13(17)8-5-11-3-6-12(16)7-4-11/h3-8,16H,1-2,9-10,14H2,(H,15,17)",NCCCCNC(=O)C=Cc1ccc(O)cc1,C13H18N2O2,,234.136827816,CJHDBEPXEKGBDW,Alkaloids,Ornithine alkaloids,Polyamines,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],4,3,7.578437566757202 56214,1992,116,Alkaloids,Ornithine alkaloids,Polyamines,0.5196094,ISDB,CJHDBEPXEKGBDW-VMPITWQZSA-N,"InChI=1S/C13H18N2O2/c14-9-1-2-10-15-13(17)8-5-11-3-6-12(16)7-4-11/h3-8,16H,1-2,9-10,14H2,(H,15,17)/b8-5+",NCCCCNC(=O)/C=C/c1ccc(O)cc1,C13H18N2O2,,234.136827816,CJHDBEPXEKGBDW,Alkaloids,Ornithine alkaloids,Polyamines,Buxus natalensis,5232166.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus natalensis'],4,3,7.578437566757202 56215,1992,116,Alkaloids,Ornithine alkaloids,Polyamines,0.5196094,ISDB,CJHDBEPXEKGBDW-VMPITWQZSA-N,"InChI=1S/C13H18N2O2/c14-9-1-2-10-15-13(17)8-5-11-3-6-12(16)7-4-11/h3-8,16H,1-2,9-10,14H2,(H,15,17)/b8-5+",NCCCCNC(=O)/C=C/c1ccc(O)cc1,C13H18N2O2,,234.136827816,CJHDBEPXEKGBDW,Alkaloids,Ornithine alkaloids,Polyamines,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],4,3,7.578437566757202 56216,1992,116,Alkaloids,Ornithine alkaloids,Polyamines,0.5196094,ISDB,CJHDBEPXEKGBDW-VMPITWQZSA-N,"InChI=1S/C13H18N2O2/c14-9-1-2-10-15-13(17)8-5-11-3-6-12(16)7-4-11/h3-8,16H,1-2,9-10,14H2,(H,15,17)/b8-5+",NCCCCNC(=O)/C=C/c1ccc(O)cc1,C13H18N2O2,,234.136827816,CJHDBEPXEKGBDW,Alkaloids,Ornithine alkaloids,Polyamines,Cenchrus americanus,1079449.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Paniceae'],['Cenchrus'],['Cenchrus americanus'],4,3,7.578437566757202 56217,1992,116,Alkaloids,Ornithine alkaloids,Polyamines,0.5196094,ISDB,CJHDBEPXEKGBDW-VMPITWQZSA-N,"InChI=1S/C13H18N2O2/c14-9-1-2-10-15-13(17)8-5-11-3-6-12(16)7-4-11/h3-8,16H,1-2,9-10,14H2,(H,15,17)/b8-5+",NCCCCNC(=O)/C=C/c1ccc(O)cc1,C13H18N2O2,,234.136827816,CJHDBEPXEKGBDW,Alkaloids,Ornithine alkaloids,Polyamines,Solanum americanum,756802.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum americanum'],4,3,7.578437566757202 56218,1992,116,Alkaloids,Ornithine alkaloids,Polyamines,0.5196094,ISDB,CJHDBEPXEKGBDW-VMPITWQZSA-N,"InChI=1S/C13H18N2O2/c14-9-1-2-10-15-13(17)8-5-11-3-6-12(16)7-4-11/h3-8,16H,1-2,9-10,14H2,(H,15,17)/b8-5+",NCCCCNC(=O)/C=C/c1ccc(O)cc1,C13H18N2O2,,234.136827816,CJHDBEPXEKGBDW,Alkaloids,Ornithine alkaloids,Polyamines,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],4,3,7.578437566757202 56219,1992,116,Alkaloids,Ornithine alkaloids,Polyamines,0.5196094,ISDB,CJHDBEPXEKGBDW-VMPITWQZSA-N,"InChI=1S/C13H18N2O2/c14-9-1-2-10-15-13(17)8-5-11-3-6-12(16)7-4-11/h3-8,16H,1-2,9-10,14H2,(H,15,17)/b8-5+",NCCCCNC(=O)/C=C/c1ccc(O)cc1,C13H18N2O2,,234.136827816,CJHDBEPXEKGBDW,Alkaloids,Ornithine alkaloids,Polyamines,Persea americana,913249.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Persea'],['Persea americana'],4,3,7.578437566757202 56067,1990,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Clematis terniflora,21289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis terniflora'],8,3,9.5 56068,1990,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Clematis terniflora,21289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis terniflora'],8,3,9.5 56069,1990,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Clematis terniflora,21289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis terniflora'],8,3,9.5 56064,1989,116,Alkaloids,Ornithine alkaloids,Polyamines,0.40312794,ISDB,,,,,,,ZOASRUGREWIJSO,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.6125117540359497 56061,1988,116,Alkaloids,Ornithine alkaloids,Polyamines,0.6047332,ISDB,AKIHYQWCLCDMMI-VMPITWQZSA-N,"InChI=1S/C14H20N4O2/c15-14(16)18-10-2-1-9-17-13(20)8-5-11-3-6-12(19)7-4-11/h3-8,19H,1-2,9-10H2,(H,17,20)(H4,15,16,18)/b8-5+",N=C(N)NCCCCNC(=O)/C=C/c1ccc(O)cc1,C14H20N4O2,,276.15862588,AKIHYQWCLCDMMI,Alkaloids,Ornithine alkaloids,Polyamines,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],4,3,7.918932914733887 56062,1988,116,Alkaloids,Ornithine alkaloids,Polyamines,0.6047332,ISDB,AKIHYQWCLCDMMI-UHFFFAOYSA-N,"InChI=1S/C14H20N4O2/c15-14(16)18-10-2-1-9-17-13(20)8-5-11-3-6-12(19)7-4-11/h3-8,19H,1-2,9-10H2,(H,17,20)(H4,15,16,18)",N=C(N)NCCCCNC(=O)C=Cc1ccc(O)cc1,C14H20N4O2,,276.15862588,AKIHYQWCLCDMMI,Alkaloids,Ornithine alkaloids,Polyamines,Albizia julibrissin,39517.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Ingeae'],['Albizia'],['Albizia julibrissin'],4,3,7.918932914733887 56060,1984,86,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.2149728,ISDB,,,,,,,ZTBYPIBZNSMFBV,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.8598911762237549 56042,1983,1083,Terpenoids,Diterpenoids,Other Octadecanoids,0.26727322,ISDB,KRTAGCAAGRLSRQ-UHFFFAOYSA-N,"InChI=1S/C18H28O5/c1-11-10-12-14-16(2,15(21)23-12)7-5-8-17(14,3)18(11,22)9-4-6-13(19)20/h11-12,14,22H,4-10H2,1-3H3,(H,19,20)",CC1CC2OC(=O)C3(C)CCCC(C)(C23)C1(O)CCCC(=O)O,C18H28O5,,324.193673996,KRTAGCAAGRLSRQ,Terpenoids,Diterpenoids,Labdane diterpenoids,Marrubium globosum,6081188.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Marrubieae'],['Marrubium'],['Marrubium globosum'],4,2,6.069092869758606 55912,1982,5,Polyketides,Linear polyketides,Valerenane sesquiterpenoids,0.0,MS1_match,GMTBKCJRMNJNFL-UHFFFAOYSA-N,"InChI=1S/C17H26O2/c1-11(10-19-14(4)18)9-15-7-5-12(2)16-8-6-13(3)17(15)16/h9,12,15-16H,5-8,10H2,1-4H3",CC(=O)OCC(C)=CC1CCC(C)C2CCC(C)=C12,C17H26O2,pos_1_1proton1methanol,262.193280072,GMTBKCJRMNJNFL,Terpenoids,Sesquiterpenoids,Valerenane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,3,7.5 55909,1979,-1,,,,0.30168998,ISDB,QQMDGBRVBLDRAM-QGZVFWFLSA-N,"InChI=1S/C22H24O7/c1-13(2)17(29-24)7-5-14(3)9-11-27-22-20-16(10-12-26-20)19(25-4)15-6-8-18(23)28-21(15)22/h6,8-10,12,17,24H,1,5,7,11H2,2-4H3/t17-/m1/s1",C=C(C)[C@@H](CCC(C)=CCOc1c2occc2c(OC)c2ccc(=O)oc12)OO,C22H24O7,,400.152203108,QQMDGBRVBLDRAM,Shikimates and Phenylpropanoids,Coumarins,Furocoumarins,Melicope triphylla,710074.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Melicope'],['Melicope triphylla'],4,0,5.206759929656982 55902,1978,-1,,,,0.0,MS1_match,QLASPINFLLNESN-UVBAXCRRSA-N,"InChI=1S/C15H22O4/c1-8-5-9(16)6-10-11(17)7-12-13(15(8,10)4)14(2,3)19-18-12/h6,8-9,12-13,16H,5,7H2,1-4H3/t8-,9-,12-,13+,15+/m1/s1",C[C@@H]1C[C@@H](O)C=C2C(=O)C[C@H]3OOC(C)(C)[C@H]3[C@]21C,C15H22O4,pos_1_1proton1methanol,266.151809184,QLASPINFLLNESN,Terpenoids,Sesquiterpenoids,Nardosinane sesquiterpenoids,Nardostachys jatamansi,24101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Nardostachys'],['Nardostachys jatamansi'],6,0,6.0 55903,1978,-1,,,,0.0,MS1_match,AFMMLDAVYSFRHS-HGNGLJKMSA-N,"InChI=1S/C15H22O4/c1-14(2)9-6-7-15(3)8(4-5-10(16)19-15)11(12(9)14)13(17)18/h8-9,11-12H,4-7H2,1-3H3,(H,17,18)/t8-,9-,11-,12-,15-/m0/s1",CC1(C)[C@@H]2[C@@H](C(=O)O)[C@@H]3CCC(=O)O[C@@]3(C)CC[C@@H]21,C15H22O4,pos_1_1proton1methanol,266.151809184,AFMMLDAVYSFRHS,Terpenoids,Sesquiterpenoids,Aromadendrane sesquiterpenoids,Valeriana dageletiana,7625130.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana dageletiana'],6,0,6.0 55904,1978,-1,,,,0.0,MS1_match,AFMMLDAVYSFRHS-HGNGLJKMSA-N,"InChI=1S/C15H22O4/c1-14(2)9-6-7-15(3)8(4-5-10(16)19-15)11(12(9)14)13(17)18/h8-9,11-12H,4-7H2,1-3H3,(H,17,18)/t8-,9-,11-,12-,15-/m0/s1",CC1(C)[C@@H]2[C@@H](C(=O)O)[C@@H]3CCC(=O)O[C@@]3(C)CC[C@@H]21,C15H22O4,pos_1_1proton1methanol,266.151809184,AFMMLDAVYSFRHS,Terpenoids,Sesquiterpenoids,Aromadendrane sesquiterpenoids,Valeriana officinalis var. latifolia,430697.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 55905,1978,-1,,,,0.0,MS1_match,AFMMLDAVYSFRHS-HGNGLJKMSA-N,"InChI=1S/C15H22O4/c1-14(2)9-6-7-15(3)8(4-5-10(16)19-15)11(12(9)14)13(17)18/h8-9,11-12H,4-7H2,1-3H3,(H,17,18)/t8-,9-,11-,12-,15-/m0/s1",CC1(C)[C@@H]2[C@@H](C(=O)O)[C@@H]3CCC(=O)O[C@@]3(C)CC[C@@H]21,C15H22O4,pos_1_1proton1methanol,266.151809184,AFMMLDAVYSFRHS,Terpenoids,Sesquiterpenoids,Aromadendrane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 55906,1978,-1,,,,0.0,MS1_match,NFAIEEHBPOJNKN-IPRJDCTKSA-N,"InChI=1S/C15H22O4/c1-7-5-8(16)6-9-10(17)11-12(19-11)13(14(2,3)18)15(7,9)4/h6-8,11-13,16,18H,5H2,1-4H3/t7-,8-,11-,12-,13+,15+/m1/s1",C[C@@H]1C[C@@H](O)C=C2C(=O)[C@H]3O[C@H]3[C@@H](C(C)(C)O)[C@]21C,C15H22O4,pos_1_1proton1methanol,266.151809184,NFAIEEHBPOJNKN,Terpenoids,Sesquiterpenoids,Nardosinane sesquiterpenoids,Nardostachys jatamansi,24101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Nardostachys'],['Nardostachys jatamansi'],6,0,6.0 55907,1978,-1,,,,0.0,MS1_match,ZSRVBNXAPSQDFY-PLJUSGQGSA-N,"InChI=1S/C15H22O4/c1-9-3-4-14(7-16)11(5-9)19-12-6-10(17)13(14,2)15(12)8-18-15/h5,10-12,16-17H,3-4,6-8H2,1-2H3/t10-,11-,12-,13+,14-,15-/m1/s1",CC1=C[C@H]2O[C@@H]3C[C@@H](O)[C@@](C)([C@@]2(CO)CC1)[C@@]31CO1,C15H22O4,pos_1_1proton1methanol,266.151809184,ZSRVBNXAPSQDFY,Terpenoids,Sesquiterpenoids,Trichothecane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 55908,1978,-1,,,,0.0,MS1_match,BDBRZURCDWHOCK-GBALPHGKSA-N,"InChI=1S/C15H22O4/c1-8(2)15-6-5-14(4,18-19-15)12-10(16)7-9(3)11(12)13(15)17/h8-9,13,17H,5-7H2,1-4H3/t9-,13+,14+,15+/m1/s1",CC(C)[C@]12CC[C@](C)(OO1)C1=C([C@H](C)CC1=O)[C@@H]2O,C15H22O4,pos_1_1proton1methanol,266.151809184,BDBRZURCDWHOCK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Nardostachys jatamansi,24101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Nardostachys'],['Nardostachys jatamansi'],6,0,6.0 55808,1977,437,Terpenoids,Steroids,Cholestane steroids,0.57563674,ISDB,DPUOLQHDNGRHBS-KTKRTIGZSA-N,"InChI=1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H,23,24)/b10-9-",CCCCCCCC/C=C\CCCCCCCCCCCC(=O)O,C22H42O2,,338.318480584,DPUOLQHDNGRHBS,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Patrinia villosa,971855.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia villosa'],6,0,8.302546977996826 55805,1976,-1,,,,0.0,MS1_match,LUDMVJVLHCEECS-PXKJKYEHSA-N,"InChI=1S/C27H42O12/c1-14(2)8-20(30)38-22(16(5)6)24(32)35-11-18-12-36-25(39-21(31)9-15(3)4)23-26(18,33)10-19(29)27(23,34)13-37-17(7)28/h12,14-16,19,22-23,25,29,33-34H,8-11,13H2,1-7H3/t19-,22+,23-,25-,26-,27+/m0/s1",CC(=O)OC[C@]1(O)[C@H]2[C@H](OC(=O)CC(C)C)OC=C(COC(=O)[C@H](OC(=O)CC(C)C)C(C)C)[C@@]2(O)C[C@@H]1O,C27H42O12,pos_2_2proton2acetonitrile,558.267626784,LUDMVJVLHCEECS,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,0,6.0 55806,1976,-1,,,,0.0,MS1_match,LUDMVJVLHCEECS-UHFFFAOYSA-N,"InChI=1S/C27H42O12/c1-14(2)8-20(30)38-22(16(5)6)24(32)35-11-18-12-36-25(39-21(31)9-15(3)4)23-26(18,33)10-19(29)27(23,34)13-37-17(7)28/h12,14-16,19,22-23,25,29,33-34H,8-11,13H2,1-7H3",CC(=O)OCC1(O)C(O)CC2(O)C(COC(=O)C(OC(=O)CC(C)C)C(C)C)=COC(OC(=O)CC(C)C)C21,C27H42O12,pos_2_2proton2acetonitrile,558.267626784,LUDMVJVLHCEECS,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana,393345.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Unknown'],6,0,6.0 55807,1976,-1,,,,0.0,MS1_match,LUDMVJVLHCEECS-HXTWUXIJSA-N,"InChI=1S/C27H42O12/c1-14(2)8-20(30)38-22(16(5)6)24(32)35-11-18-12-36-25(39-21(31)9-15(3)4)23-26(18,33)10-19(29)27(23,34)13-37-17(7)28/h12,14-16,19,22-23,25,29,33-34H,8-11,13H2,1-7H3/t19-,22-,23-,25-,26-,27-/m0/s1",CC(=O)OC[C@@]1(O)[C@H]2[C@H](OC(=O)CC(C)C)OC=C(COC(=O)[C@@H](OC(=O)CC(C)C)C(C)C)[C@@]2(O)C[C@@H]1O,C27H42O12,pos_2_2proton2acetonitrile,558.267626784,LUDMVJVLHCEECS,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 55801,1975,1528,Polyketides,Aromatic polyketides,Paraconic acids and derivatives,0.31152308,ISDB,XEJKMPUDEZRWRD-ARQDATDDSA-N,"InChI=1S/C22H28O2/c1-2-3-4-5-6-7-8-9-10-11-17(21(23)24)22-13-12-15-18(22)14-16-19(15)20(16)22/h3-8,12-13,15-20H,2,9-11,14H2,1H3,(H,23,24)/b4-3+,6-5+,8-7+",CC/C=C/C=C/C=C/CCCC(C(=O)O)C12C=CC3C4C(CC31)C42,C22H28O2,,324.208930136,XEJKMPUDEZRWRD,Polyketides,,,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],0,1,1.7460923194885254 55802,1975,1528,Polyketides,Aromatic polyketides,Paraconic acids and derivatives,0.31152308,ISDB,XEJKMPUDEZRWRD-RBLSWJEHSA-N,"InChI=1S/C22H28O2/c1-2-3-4-5-6-7-8-9-10-11-17(21(23)24)22-13-12-15-18(22)14-16-19(15)20(16)22/h3-8,12-13,15-20H,2,9-11,14H2,1H3,(H,23,24)/b4-3+,6-5+,8-7+/t15-,16+,17+,18-,19-,20+,22-/m0/s1",CC/C=C/C=C/C=C/CCC[C@H](C(=O)O)[C@@]12C=C[C@@H]3[C@H]4[C@@H](C[C@@H]31)[C@H]42,C22H28O2,,324.208930136,XEJKMPUDEZRWRD,Polyketides,,,Cryptocarya amygdalina,6025881.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cryptocarya'],['Cryptocarya amygdalina'],0,1,1.7460923194885254 55712,1974,1294,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.56951433,ISDB,KJSAXQYTHNRIBJ-YRGRVCCFSA-N,"InChI=1S/C14H20O2/c1-10(13(15)16)11-6-8-14(2)7-4-3-5-12(14)9-11/h3,5,11-12H,1,4,6-9H2,2H3,(H,15,16)/t11-,12-,14-/m1/s1",C=C(C(=O)O)[C@@H]1CC[C@@]2(C)CCC=C[C@@H]2C1,C14H20O2,,220.14632988,KJSAXQYTHNRIBJ,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Dittrichia graveolens,3899100.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Dittrichia'],['Dittrichia graveolens'],4,3,7.778057336807251 55710,1972,-1,,,,0.20372832,ISDB,,,,,,,FJZPPPWZKPBNIE,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.814913272857666 55708,1969,544,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,APFXLSITBUTSAO-DYGWSSCLSA-N,"InChI=1S/C33H54O12/c1-29(2,41)9-8-24(37)32(5,42)23-7-11-33(43)17-12-19(35)18-13-21(44-28-27(40)26(39)25(38)22(15-34)45-28)20(36)14-30(18,3)16(17)6-10-31(23,33)4/h12,16,18,20-28,34,36-43H,6-11,13-15H2,1-5H3/t16-,18-,20-,21+,22+,23-,24+,25+,26-,27+,28+,30+,31+,32+,33+/m0/s1",CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C,C33H54O12,pos_2_2sodium,642.361527168,APFXLSITBUTSAO,Terpenoids,Steroids,Ecdysteroids,Helleborus multifidus,648056.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Helleboreae'],['Helleborus'],['Helleborus multifidus'],6,0,6.0 55709,1969,544,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,APFXLSITBUTSAO-DYGWSSCLSA-N,"InChI=1S/C33H54O12/c1-29(2,41)9-8-24(37)32(5,42)23-7-11-33(43)17-12-19(35)18-13-21(44-28-27(40)26(39)25(38)22(15-34)45-28)20(36)14-30(18,3)16(17)6-10-31(23,33)4/h12,16,18,20-28,34,36-43H,6-11,13-15H2,1-5H3/t16-,18-,20-,21+,22+,23-,24+,25+,26-,27+,28+,30+,31+,32+,33+/m0/s1",CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C,C33H54O12,pos_2_2sodium,642.361527168,APFXLSITBUTSAO,Terpenoids,Steroids,Ecdysteroids,Helleborus torquatus,948051.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Helleboreae'],['Helleborus'],['Helleborus torquatus'],6,0,6.0 54926,1967,-1,,,,0.0,MS1_match,GYTISTMGTHKMCE-RMHXPDDSSA-N,"InChI=1S/C15H20O4/c1-7-5-8(16)6-9-10(17)11-12(19-11)13(14(2,3)18)15(7,9)4/h6-7,11-13,18H,5H2,1-4H3/t7-,11-,12-,13+,15+/m1/s1",C[C@@H]1CC(=O)C=C2C(=O)[C@H]3O[C@H]3[C@@H](C(C)(C)O)[C@]21C,C15H20O4,pos_1_1proton,264.13615912,GYTISTMGTHKMCE,Terpenoids,Sesquiterpenoids,Nardosinane sesquiterpenoids,Nardostachys jatamansi,24101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Nardostachys'],['Nardostachys jatamansi'],6,0,6.0 54927,1967,-1,,,,0.0,MS1_match,JVAVVXRDSNKYPD-UHFFFAOYSA-N,"InChI=1S/C15H20O4/c1-9-4-3-5-11(15(17)18)7-12-8-13(12)14(6-9)19-10(2)16/h4,7,12-14H,3,5-6,8H2,1-2H3,(H,17,18)",CC(=O)OC1CC(C)=CCCC(C(=O)O)=CC2CC21,C15H20O4,pos_1_1proton,264.13615912,JVAVVXRDSNKYPD,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 54928,1967,-1,,,,0.0,MS1_match,JVAVVXRDSNKYPD-UHFFFAOYSA-N,"InChI=1S/C15H20O4/c1-9-4-3-5-11(15(17)18)7-12-8-13(12)14(6-9)19-10(2)16/h4,7,12-14H,3,5-6,8H2,1-2H3,(H,17,18)",CC(=O)OC1CC(C)=CCCC(C(=O)O)=CC2CC21,C15H20O4,pos_1_1proton,264.13615912,JVAVVXRDSNKYPD,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,Valeriana dageletiana,7625130.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana dageletiana'],6,0,6.0 54925,1961,-1,,,,0.0,MS1_match,UBQCFEASTTXIKB-UHFFFAOYSA-N,"InChI=1S/C27H28N2O4/c1-20(30)28-24(17-21-11-5-2-6-12-21)19-33-27(32)25(18-22-13-7-3-8-14-22)29-26(31)23-15-9-4-10-16-23/h2-16,24-25H,17-19H2,1H3,(H,28,30)(H,29,31)",CC(=O)NC(COC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1)Cc1ccccc1,C27H28N2O4,pos_1_1proton1ethylamine,444.204907376,UBQCFEASTTXIKB,Amino acids and Peptides,Small peptides,Dipeptides,Patrinia scabra,68239.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia scabra'],6,0,6.0 54924,1960,180,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,LBTGOQKCUJMQQK-RFXPKWRHSA-N,"InChI=1S/C26H37NO5/c1-6-27-12-24(5)8-7-21(30)26-19(24)9-17(22(26)27)25-11-16(13(2)23(25)32-15(4)29)18(10-20(25)26)31-14(3)28/h16-23,30H,2,6-12H2,1,3-5H3/t16-,17?,18-,19+,20+,21+,22?,23+,24-,25-,26-/m0/s1",C=C1[C@@H](OC(C)=O)[C@]23C[C@@H]1[C@@H](OC(C)=O)C[C@H]2[C@@]12C4C3C[C@@H]1[C@@](C)(CC[C@H]2O)CN4CC,C26H37NO5,pos_1_minus1proton2potassium,443.2671732839999,LBTGOQKCUJMQQK,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Aconitum flavum,44348.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum flavum'],6,0,6.0 54912,1959,107,Polyketides,Phloroglucinols,Acyl phloroglucinols,0.0,MS1_match,BOPNBEMHPYANDR-QSHXVNPLSA-N,"InChI=1S/C17H22O11/c1-5(20)10-6(21)2-7(22)11(13(10)24)15-9(4-19)26-16-14(25)12(23)8(3-18)27-17(16)28-15/h2,8-9,12,14-19,21-25H,3-4H2,1H3/t8-,9+,12-,14+,15-,16-,17+/m1/s1",CC(=O)c1c(O)cc(O)c([C@@H]2O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@H]2CO)c1O,C17H22O11,pos_1_1potassium,402.116211524,BOPNBEMHPYANDR,Polyketides,Phloroglucinols,Acyl phloroglucinols,Eriocapitella tomentosa,5737682.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Anemone'],['Anemone tomentosa'],7,3,8.5 54911,1958,-1,,,,0.0,MS1_match,WZDQZUZGMJUYFF-ZZQRAECTSA-N,"InChI=1S/C25H34O8/c1-14(2)7-20(26)29-11-17-12-30-24(33-22(28)9-16(5)6)23-18(17)10-19(25(23)13-31-25)32-21(27)8-15(3)4/h9-10,12,14-15,19,23-24H,7-8,11,13H2,1-6H3/t19-,23+,24-,25+/m0/s1",CC(C)=CC(=O)O[C@@H]1OC=C(COC(=O)CC(C)C)C2=C[C@H](OC(=O)CC(C)C)[C@]3(CO3)[C@H]21,C25H34O8,pos_1_1proton1isopropanol,462.2253680479999,WZDQZUZGMJUYFF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana sorbifolia,445623.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana sorbifolia'],6,0,6.0 54909,1955,-1,,,,0.25910777,ISDB,NSIGTFXHCFDUIY-XKVYUHEQSA-N,"InChI=1S/C32H39NO7/c1-19(2)7-5-8-20(3)9-6-14-32(4)28(36)17-24-27(35)16-23-25(29(24)40-32)18-33(30(23)37)26(31(38)39)15-21-10-12-22(34)13-11-21/h7,9-13,16,26,28,34-36H,5-6,8,14-15,17-18H2,1-4H3,(H,38,39)/t26-,28-,32-/m0/s1",CC(C)=CCCC(C)=CCC[C@]1(C)Oc2c(c(O)cc3c2CN([C@@H](Cc2ccc(O)cc2)C(=O)O)C3=O)C[C@@H]1O,C32H39NO7,,549.272652588,NSIGTFXHCFDUIY,Alkaloids,Pseudoalkaloids,Isoindole alkaloids,Stachybotrys microspora,165548.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Hypocreales'],['Unknown'],['Unknown'],['Stachybotrys'],['Stachybotrys microspora'],1,0,2.036431074142456 54910,1955,-1,,,,0.25910777,ISDB,NSIGTFXHCFDUIY-XKVYUHEQSA-N,"InChI=1S/C32H39NO7/c1-19(2)7-5-8-20(3)9-6-14-32(4)28(36)17-24-27(35)16-23-25(29(24)40-32)18-33(30(23)37)26(31(38)39)15-21-10-12-22(34)13-11-21/h7,9-13,16,26,28,34-36H,5-6,8,14-15,17-18H2,1-4H3,(H,38,39)/t26-,28-,32-/m0/s1",CC(C)=CCCC(C)=CCC[C@]1(C)Oc2c(c(O)cc3c2CN([C@@H](Cc2ccc(O)cc2)C(=O)O)C3=O)C[C@@H]1O,C32H39NO7,,549.272652588,NSIGTFXHCFDUIY,Alkaloids,Pseudoalkaloids,Isoindole alkaloids,Stachybotrys microsporus,165548.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Hypocreales'],['Unknown'],['Unknown'],['Stachybotrys'],['Stachybotrys microspora'],1,0,2.036431074142456 54456,1954,-1,,,,0.0,MS1_match,ZNQFUVKAKSTVGH-UHFFFAOYSA-N,"InChI=1S/C30H40O4/c1-18-19-8-10-28(4)21(20(19)16-22(31)24(18)32)9-11-29(5)23-17-27(3,25(33)34-7)13-12-26(23,2)14-15-30(28,29)6/h8-10,16,23,31-32H,11-15,17H2,1-7H3",COC(=O)C1(C)CCC2(C)CCC3(C)C4(C)C=Cc5c(cc(O)c(O)c5C)C4=CCC3(C)C2C1,C30H40O4,pos_2_2proton,464.29265976,ZNQFUVKAKSTVGH,Terpenoids,,,Monteverdia truncata,7054806.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Monteverdia'],['Monteverdia truncata'],6,0,6.0 54457,1954,-1,,,,0.0,MS1_match,JFACETXYABVHFD-UHFFFAOYSA-N,"InChI=1S/C30H40O4/c1-18-19-8-9-22-28(4,20(19)16-21(31)24(18)32)13-15-30(6)23-17-27(3,25(33)34-7)11-10-26(23,2)12-14-29(22,30)5/h8-9,16,23,32H,10-15,17H2,1-7H3",COC(=O)C1(C)CCC2(C)CCC3(C)C4=CC=C5C(=CC(=O)C(O)=C5C)C4(C)CCC3(C)C2C1,C30H40O4,pos_2_2proton,464.29265976,JFACETXYABVHFD,Terpenoids,Triterpenoids,Friedelane triterpenoids,Salacia kraussii,981087.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Salacia'],['Salacia kraussii'],6,0,6.0 54458,1954,-1,,,,0.0,MS1_match,JFACETXYABVHFD-WXPPGMDDSA-N,"InChI=1S/C30H40O4/c1-18-19-8-9-22-28(4,20(19)16-21(31)24(18)32)13-15-30(6)23-17-27(3,25(33)34-7)11-10-26(23,2)12-14-29(22,30)5/h8-9,16,23,32H,10-15,17H2,1-7H3/t23-,26-,27-,28+,29-,30+/m1/s1",COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(O)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1,C30H40O4,pos_2_2proton,464.29265976,JFACETXYABVHFD,Terpenoids,Triterpenoids,Friedelane triterpenoids,Gymnosporia senegalensis,170566.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Gymnosporia'],['Gymnosporia senegalensis'],6,0,6.0 54459,1954,-1,,,,0.0,MS1_match,JFACETXYABVHFD-WXPPGMDDSA-N,"InChI=1S/C30H40O4/c1-18-19-8-9-22-28(4,20(19)16-21(31)24(18)32)13-15-30(6)23-17-27(3,25(33)34-7)11-10-26(23,2)12-14-29(22,30)5/h8-9,16,23,32H,10-15,17H2,1-7H3/t23-,26-,27-,28+,29-,30+/m1/s1",COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(O)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1,C30H40O4,pos_2_2proton,464.29265976,JFACETXYABVHFD,Terpenoids,Triterpenoids,Friedelane triterpenoids,Hippocratea volubilis,232493.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Hippocratea'],['Hippocratea volubilis'],6,0,6.0 54460,1954,-1,,,,0.0,MS1_match,JFACETXYABVHFD-WXPPGMDDSA-N,"InChI=1S/C30H40O4/c1-18-19-8-9-22-28(4,20(19)16-21(31)24(18)32)13-15-30(6)23-17-27(3,25(33)34-7)11-10-26(23,2)12-14-29(22,30)5/h8-9,16,23,32H,10-15,17H2,1-7H3/t23-,26-,27-,28+,29-,30+/m1/s1",COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(O)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1,C30H40O4,pos_2_2proton,464.29265976,JFACETXYABVHFD,Terpenoids,Triterpenoids,Friedelane triterpenoids,Orthosphenia mexicana,755524.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Orthosphenia'],['Orthosphenia mexicana'],6,0,6.0 54461,1954,-1,,,,0.0,MS1_match,JFACETXYABVHFD-WXPPGMDDSA-N,"InChI=1S/C30H40O4/c1-18-19-8-9-22-28(4,20(19)16-21(31)24(18)32)13-15-30(6)23-17-27(3,25(33)34-7)11-10-26(23,2)12-14-29(22,30)5/h8-9,16,23,32H,10-15,17H2,1-7H3/t23-,26-,27-,28+,29-,30+/m1/s1",COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(O)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1,C30H40O4,pos_2_2proton,464.29265976,JFACETXYABVHFD,Terpenoids,Triterpenoids,Friedelane triterpenoids,Maytenus retusa,7631457.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Monteverdia'],['Monteverdia retusa'],6,0,6.0 54462,1954,-1,,,,0.0,MS1_match,JFACETXYABVHFD-WXPPGMDDSA-N,"InChI=1S/C30H40O4/c1-18-19-8-9-22-28(4,20(19)16-21(31)24(18)32)13-15-30(6)23-17-27(3,25(33)34-7)11-10-26(23,2)12-14-29(22,30)5/h8-9,16,23,32H,10-15,17H2,1-7H3/t23-,26-,27-,28+,29-,30+/m1/s1",COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(O)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1,C30H40O4,pos_2_2proton,464.29265976,JFACETXYABVHFD,Terpenoids,Triterpenoids,Friedelane triterpenoids,Monteverdia retusa,7631457.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Monteverdia'],['Monteverdia retusa'],6,0,6.0 54463,1954,-1,,,,0.0,MS1_match,JFACETXYABVHFD-WXPPGMDDSA-N,"InChI=1S/C30H40O4/c1-18-19-8-9-22-28(4,20(19)16-21(31)24(18)32)13-15-30(6)23-17-27(3,25(33)34-7)11-10-26(23,2)12-14-29(22,30)5/h8-9,16,23,32H,10-15,17H2,1-7H3/t23-,26-,27-,28+,29-,30+/m1/s1",COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(O)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1,C30H40O4,pos_2_2proton,464.29265976,JFACETXYABVHFD,Terpenoids,Triterpenoids,Friedelane triterpenoids,Monteverdia aquifolium,1060183.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Monteverdia'],['Monteverdia aquifolia'],6,0,6.0 54464,1954,-1,,,,0.0,MS1_match,JFACETXYABVHFD-WXPPGMDDSA-N,"InChI=1S/C30H40O4/c1-18-19-8-9-22-28(4,20(19)16-21(31)24(18)32)13-15-30(6)23-17-27(3,25(33)34-7)11-10-26(23,2)12-14-29(22,30)5/h8-9,16,23,32H,10-15,17H2,1-7H3/t23-,26-,27-,28+,29-,30+/m1/s1",COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(O)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1,C30H40O4,pos_2_2proton,464.29265976,JFACETXYABVHFD,Terpenoids,Triterpenoids,Friedelane triterpenoids,Salacia beddomei,278623.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Salacia'],['Salacia beddomei'],6,0,6.0 54465,1954,-1,,,,0.0,MS1_match,JFACETXYABVHFD-WXPPGMDDSA-N,"InChI=1S/C30H40O4/c1-18-19-8-9-22-28(4,20(19)16-21(31)24(18)32)13-15-30(6)23-17-27(3,25(33)34-7)11-10-26(23,2)12-14-29(22,30)5/h8-9,16,23,32H,10-15,17H2,1-7H3/t23-,26-,27-,28+,29-,30+/m1/s1",COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(O)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1,C30H40O4,pos_2_2proton,464.29265976,JFACETXYABVHFD,Terpenoids,Triterpenoids,Friedelane triterpenoids,Kokoona reflexa,5750149.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Kokoona'],['Kokoona reflexa'],6,0,6.0 54466,1954,-1,,,,0.0,MS1_match,JFACETXYABVHFD-WXPPGMDDSA-N,"InChI=1S/C30H40O4/c1-18-19-8-9-22-28(4,20(19)16-21(31)24(18)32)13-15-30(6)23-17-27(3,25(33)34-7)11-10-26(23,2)12-14-29(22,30)5/h8-9,16,23,32H,10-15,17H2,1-7H3/t23-,26-,27-,28+,29-,30+/m1/s1",COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(O)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1,C30H40O4,pos_2_2proton,464.29265976,JFACETXYABVHFD,Terpenoids,Triterpenoids,Friedelane triterpenoids,Maytenus chubutensis,6092930.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Maytenus'],['Maytenus chubutensis'],6,0,6.0 54467,1954,-1,,,,0.0,MS1_match,JFACETXYABVHFD-WXPPGMDDSA-N,"InChI=1S/C30H40O4/c1-18-19-8-9-22-28(4,20(19)16-21(31)24(18)32)13-15-30(6)23-17-27(3,25(33)34-7)11-10-26(23,2)12-14-29(22,30)5/h8-9,16,23,32H,10-15,17H2,1-7H3/t23-,26-,27-,28+,29-,30+/m1/s1",COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(O)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1,C30H40O4,pos_2_2proton,464.29265976,JFACETXYABVHFD,Terpenoids,Triterpenoids,Friedelane triterpenoids,Celastrus paniculatus,561287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Celastrus'],['Celastrus paniculatus'],6,0,6.0 54468,1954,-1,,,,0.0,MS1_match,JFACETXYABVHFD-WXPPGMDDSA-N,"InChI=1S/C30H40O4/c1-18-19-8-9-22-28(4,20(19)16-21(31)24(18)32)13-15-30(6)23-17-27(3,25(33)34-7)11-10-26(23,2)12-14-29(22,30)5/h8-9,16,23,32H,10-15,17H2,1-7H3/t23-,26-,27-,28+,29-,30+/m1/s1",COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(O)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1,C30H40O4,pos_2_2proton,464.29265976,JFACETXYABVHFD,Terpenoids,Triterpenoids,Friedelane triterpenoids,Maytenus amazonica,6092911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Monteverdia'],['Monteverdia amazonica'],6,0,6.0 54469,1954,-1,,,,0.0,MS1_match,JFACETXYABVHFD-WXPPGMDDSA-N,"InChI=1S/C30H40O4/c1-18-19-8-9-22-28(4,20(19)16-21(31)24(18)32)13-15-30(6)23-17-27(3,25(33)34-7)11-10-26(23,2)12-14-29(22,30)5/h8-9,16,23,32H,10-15,17H2,1-7H3/t23-,26-,27-,28+,29-,30+/m1/s1",COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(O)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1,C30H40O4,pos_2_2proton,464.29265976,JFACETXYABVHFD,Terpenoids,Triterpenoids,Friedelane triterpenoids,Pleurostylia opposita,907103.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Pleurostylia'],['Pleurostylia opposita'],6,0,6.0 54470,1954,-1,,,,0.0,MS1_match,JFACETXYABVHFD-WXPPGMDDSA-N,"InChI=1S/C30H40O4/c1-18-19-8-9-22-28(4,20(19)16-21(31)24(18)32)13-15-30(6)23-17-27(3,25(33)34-7)11-10-26(23,2)12-14-29(22,30)5/h8-9,16,23,32H,10-15,17H2,1-7H3/t23-,26-,27-,28+,29-,30+/m1/s1",COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(O)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1,C30H40O4,pos_2_2proton,464.29265976,JFACETXYABVHFD,Terpenoids,Triterpenoids,Friedelane triterpenoids,Gymnosporia emarginata,35854.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Gymnosporia'],['Gymnosporia inermis'],6,0,6.0 54471,1954,-1,,,,0.0,MS1_match,JFACETXYABVHFD-WXPPGMDDSA-N,"InChI=1S/C30H40O4/c1-18-19-8-9-22-28(4,20(19)16-21(31)24(18)32)13-15-30(6)23-17-27(3,25(33)34-7)11-10-26(23,2)12-14-29(22,30)5/h8-9,16,23,32H,10-15,17H2,1-7H3/t23-,26-,27-,28+,29-,30+/m1/s1",COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(O)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1,C30H40O4,pos_2_2proton,464.29265976,JFACETXYABVHFD,Terpenoids,Triterpenoids,Friedelane triterpenoids,Kokoona zeylanica,6092887.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Kokoona'],['Kokoona zeylanica'],6,0,6.0 54472,1954,-1,,,,0.0,MS1_match,JFACETXYABVHFD-WXPPGMDDSA-N,"InChI=1S/C30H40O4/c1-18-19-8-9-22-28(4,20(19)16-21(31)24(18)32)13-15-30(6)23-17-27(3,25(33)34-7)11-10-26(23,2)12-14-29(22,30)5/h8-9,16,23,32H,10-15,17H2,1-7H3/t23-,26-,27-,28+,29-,30+/m1/s1",COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(O)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1,C30H40O4,pos_2_2proton,464.29265976,JFACETXYABVHFD,Terpenoids,Triterpenoids,Friedelane triterpenoids,Peritassa campestris,381948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Peritassa'],['Peritassa campestris'],6,0,6.0 54473,1954,-1,,,,0.0,MS1_match,JFACETXYABVHFD-WXPPGMDDSA-N,"InChI=1S/C30H40O4/c1-18-19-8-9-22-28(4,20(19)16-21(31)24(18)32)13-15-30(6)23-17-27(3,25(33)34-7)11-10-26(23,2)12-14-29(22,30)5/h8-9,16,23,32H,10-15,17H2,1-7H3/t23-,26-,27-,28+,29-,30+/m1/s1",COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(O)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1,C30H40O4,pos_2_2proton,464.29265976,JFACETXYABVHFD,Terpenoids,Triterpenoids,Friedelane triterpenoids,Monteverdia catingarum,6092926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Monteverdia'],['Monteverdia catingarum'],6,0,6.0 54474,1954,-1,,,,0.0,MS1_match,JFACETXYABVHFD-WXPPGMDDSA-N,"InChI=1S/C30H40O4/c1-18-19-8-9-22-28(4,20(19)16-21(31)24(18)32)13-15-30(6)23-17-27(3,25(33)34-7)11-10-26(23,2)12-14-29(22,30)5/h8-9,16,23,32H,10-15,17H2,1-7H3/t23-,26-,27-,28+,29-,30+/m1/s1",COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(O)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1,C30H40O4,pos_2_2proton,464.29265976,JFACETXYABVHFD,Terpenoids,Triterpenoids,Friedelane triterpenoids,Crossopetalum gaumeri,1091453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Crossopetalum'],['Crossopetalum gaumeri'],6,0,6.0 54475,1954,-1,,,,0.0,MS1_match,JFACETXYABVHFD-WXPPGMDDSA-N,"InChI=1S/C30H40O4/c1-18-19-8-9-22-28(4,20(19)16-21(31)24(18)32)13-15-30(6)23-17-27(3,25(33)34-7)11-10-26(23,2)12-14-29(22,30)5/h8-9,16,23,32H,10-15,17H2,1-7H3/t23-,26-,27-,28+,29-,30+/m1/s1",COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(O)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1,C30H40O4,pos_2_2proton,464.29265976,JFACETXYABVHFD,Terpenoids,Triterpenoids,Friedelane triterpenoids,Tripterygium wilfordii,300831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium wilfordii'],6,0,6.0 54476,1954,-1,,,,0.0,MS1_match,JFACETXYABVHFD-WXPPGMDDSA-N,"InChI=1S/C30H40O4/c1-18-19-8-9-22-28(4,20(19)16-21(31)24(18)32)13-15-30(6)23-17-27(3,25(33)34-7)11-10-26(23,2)12-14-29(22,30)5/h8-9,16,23,32H,10-15,17H2,1-7H3/t23-,26-,27-,28+,29-,30+/m1/s1",COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(O)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1,C30H40O4,pos_2_2proton,464.29265976,JFACETXYABVHFD,Terpenoids,Triterpenoids,Friedelane triterpenoids,Tripterygium regelii,483028.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium regelii'],6,0,6.0 54477,1954,-1,,,,0.0,MS1_match,JFACETXYABVHFD-WXPPGMDDSA-N,"InChI=1S/C30H40O4/c1-18-19-8-9-22-28(4,20(19)16-21(31)24(18)32)13-15-30(6)23-17-27(3,25(33)34-7)11-10-26(23,2)12-14-29(22,30)5/h8-9,16,23,32H,10-15,17H2,1-7H3/t23-,26-,27-,28+,29-,30+/m1/s1",COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(O)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1,C30H40O4,pos_2_2proton,464.29265976,JFACETXYABVHFD,Terpenoids,Triterpenoids,Friedelane triterpenoids,Monteverdia ilicifolia,433235.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Monteverdia'],['Monteverdia ilicifolia'],6,0,6.0 54478,1954,-1,,,,0.0,MS1_match,JFACETXYABVHFD-WXPPGMDDSA-N,"InChI=1S/C30H40O4/c1-18-19-8-9-22-28(4,20(19)16-21(31)24(18)32)13-15-30(6)23-17-27(3,25(33)34-7)11-10-26(23,2)12-14-29(22,30)5/h8-9,16,23,32H,10-15,17H2,1-7H3/t23-,26-,27-,28+,29-,30+/m1/s1",COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(O)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1,C30H40O4,pos_2_2proton,464.29265976,JFACETXYABVHFD,Terpenoids,Triterpenoids,Friedelane triterpenoids,Monteverdia truncata,7054806.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Monteverdia'],['Monteverdia truncata'],6,0,6.0 54479,1954,-1,,,,0.0,MS1_match,JFACETXYABVHFD-WXPPGMDDSA-N,"InChI=1S/C30H40O4/c1-18-19-8-9-22-28(4,20(19)16-21(31)24(18)32)13-15-30(6)23-17-27(3,25(33)34-7)11-10-26(23,2)12-14-29(22,30)5/h8-9,16,23,32H,10-15,17H2,1-7H3/t23-,26-,27-,28+,29-,30+/m1/s1",COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(O)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1,C30H40O4,pos_2_2proton,464.29265976,JFACETXYABVHFD,Terpenoids,Triterpenoids,Friedelane triterpenoids,Reissantia buchananii,380816.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Reissantia'],['Reissantia buchananii'],6,0,6.0 54480,1954,-1,,,,0.0,MS1_match,JFACETXYABVHFD-WXPPGMDDSA-N,"InChI=1S/C30H40O4/c1-18-19-8-9-22-28(4,20(19)16-21(31)24(18)32)13-15-30(6)23-17-27(3,25(33)34-7)11-10-26(23,2)12-14-29(22,30)5/h8-9,16,23,32H,10-15,17H2,1-7H3/t23-,26-,27-,28+,29-,30+/m1/s1",COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(O)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1,C30H40O4,pos_2_2proton,464.29265976,JFACETXYABVHFD,Terpenoids,Triterpenoids,Friedelane triterpenoids,Tricerma vitis-idaeum,5750125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tricerma'],['Tricerma vitis-idaeum'],6,0,6.0 54481,1954,-1,,,,0.0,MS1_match,JFACETXYABVHFD-WXPPGMDDSA-N,"InChI=1S/C30H40O4/c1-18-19-8-9-22-28(4,20(19)16-21(31)24(18)32)13-15-30(6)23-17-27(3,25(33)34-7)11-10-26(23,2)12-14-29(22,30)5/h8-9,16,23,32H,10-15,17H2,1-7H3/t23-,26-,27-,28+,29-,30+/m1/s1",COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(O)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1,C30H40O4,pos_2_2proton,464.29265976,JFACETXYABVHFD,Terpenoids,Triterpenoids,Friedelane triterpenoids,Salacia reticulata,5750051.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Salacia'],['Salacia reticulata'],6,0,6.0 54482,1954,-1,,,,0.0,MS1_match,JFACETXYABVHFD-WXPPGMDDSA-N,"InChI=1S/C30H40O4/c1-18-19-8-9-22-28(4,20(19)16-21(31)24(18)32)13-15-30(6)23-17-27(3,25(33)34-7)11-10-26(23,2)12-14-29(22,30)5/h8-9,16,23,32H,10-15,17H2,1-7H3/t23-,26-,27-,28+,29-,30+/m1/s1",COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(O)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1,C30H40O4,pos_2_2proton,464.29265976,JFACETXYABVHFD,Terpenoids,Triterpenoids,Friedelane triterpenoids,Monteverdia macrocarpa,7631453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Monteverdia'],['Monteverdia macrocarpa'],6,0,6.0 54483,1954,-1,,,,0.0,MS1_match,JFACETXYABVHFD-UHFFFAOYSA-N,"InChI=1S/C30H40O4/c1-18-19-8-9-22-28(4,20(19)16-21(31)24(18)32)13-15-30(6)23-17-27(3,25(33)34-7)11-10-26(23,2)12-14-29(22,30)5/h8-9,16,23,32H,10-15,17H2,1-7H3",COC(=O)C1(C)CCC2(C)CCC3(C)C4=CC=C5C(=CC(=O)C(O)=C5C)C4(C)CCC3(C)C2C1,C30H40O4,pos_2_2proton,464.29265976,JFACETXYABVHFD,Terpenoids,Triterpenoids,Friedelane triterpenoids,Maytenus canariensis,458948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Gymnosporia'],['Gymnosporia cassinoides'],6,0,6.0 54484,1954,-1,,,,0.0,MS1_match,JFACETXYABVHFD-WXPPGMDDSA-N,"InChI=1S/C30H40O4/c1-18-19-8-9-22-28(4,20(19)16-21(31)24(18)32)13-15-30(6)23-17-27(3,25(33)34-7)11-10-26(23,2)12-14-29(22,30)5/h8-9,16,23,32H,10-15,17H2,1-7H3/t23-,26-,27-,28+,29-,30+/m1/s1",COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(O)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1,C30H40O4,pos_2_2proton,464.29265976,JFACETXYABVHFD,Terpenoids,Triterpenoids,Friedelane triterpenoids,Gymnosporia dryandri,6092733.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Gymnosporia'],['Gymnosporia dryandri'],6,0,6.0 54485,1954,-1,,,,0.0,MS1_match,JFACETXYABVHFD-WXPPGMDDSA-N,"InChI=1S/C30H40O4/c1-18-19-8-9-22-28(4,20(19)16-21(31)24(18)32)13-15-30(6)23-17-27(3,25(33)34-7)11-10-26(23,2)12-14-29(22,30)5/h8-9,16,23,32H,10-15,17H2,1-7H3/t23-,26-,27-,28+,29-,30+/m1/s1",COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(O)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1,C30H40O4,pos_2_2proton,464.29265976,JFACETXYABVHFD,Terpenoids,Triterpenoids,Friedelane triterpenoids,Maytenus umbellata,6092733.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Gymnosporia'],['Gymnosporia dryandri'],6,0,6.0 54486,1954,-1,,,,0.0,MS1_match,JFACETXYABVHFD-WXPPGMDDSA-N,"InChI=1S/C30H40O4/c1-18-19-8-9-22-28(4,20(19)16-21(31)24(18)32)13-15-30(6)23-17-27(3,25(33)34-7)11-10-26(23,2)12-14-29(22,30)5/h8-9,16,23,32H,10-15,17H2,1-7H3/t23-,26-,27-,28+,29-,30+/m1/s1",COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(O)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1,C30H40O4,pos_2_2proton,464.29265976,JFACETXYABVHFD,Terpenoids,Triterpenoids,Friedelane triterpenoids,Catha edulis,282743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Catha'],['Catha edulis'],6,0,6.0 54487,1954,-1,,,,0.0,MS1_match,JFACETXYABVHFD-WXPPGMDDSA-N,"InChI=1S/C30H40O4/c1-18-19-8-9-22-28(4,20(19)16-21(31)24(18)32)13-15-30(6)23-17-27(3,25(33)34-7)11-10-26(23,2)12-14-29(22,30)5/h8-9,16,23,32H,10-15,17H2,1-7H3/t23-,26-,27-,28+,29-,30+/m1/s1",COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(O)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1,C30H40O4,pos_2_2proton,464.29265976,JFACETXYABVHFD,Terpenoids,Triterpenoids,Friedelane triterpenoids,Maytenus scutioides,6093023.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Maytenus'],['Maytenus scutioides'],6,0,6.0 54488,1954,-1,,,,0.0,MS1_match,JFACETXYABVHFD-WXPPGMDDSA-N,"InChI=1S/C30H40O4/c1-18-19-8-9-22-28(4,20(19)16-21(31)24(18)32)13-15-30(6)23-17-27(3,25(33)34-7)11-10-26(23,2)12-14-29(22,30)5/h8-9,16,23,32H,10-15,17H2,1-7H3/t23-,26-,27-,28+,29-,30+/m1/s1",COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(O)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1,C30H40O4,pos_2_2proton,464.29265976,JFACETXYABVHFD,Terpenoids,Triterpenoids,Friedelane triterpenoids,Maytenus spinosa,995600.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Monteverdia'],['Monteverdia spinosa'],6,0,6.0 54489,1954,-1,,,,0.0,MS1_match,JFACETXYABVHFD-WXPPGMDDSA-N,"InChI=1S/C30H40O4/c1-18-19-8-9-22-28(4,20(19)16-21(31)24(18)32)13-15-30(6)23-17-27(3,25(33)34-7)11-10-26(23,2)12-14-29(22,30)5/h8-9,16,23,32H,10-15,17H2,1-7H3/t23-,26-,27-,28+,29-,30+/m1/s1",COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(O)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1,C30H40O4,pos_2_2proton,464.29265976,JFACETXYABVHFD,Terpenoids,Triterpenoids,Friedelane triterpenoids,Monteverdia spinosa,995600.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Monteverdia'],['Monteverdia spinosa'],6,0,6.0 54490,1954,-1,,,,0.0,MS1_match,JFACETXYABVHFD-WXPPGMDDSA-N,"InChI=1S/C30H40O4/c1-18-19-8-9-22-28(4,20(19)16-21(31)24(18)32)13-15-30(6)23-17-27(3,25(33)34-7)11-10-26(23,2)12-14-29(22,30)5/h8-9,16,23,32H,10-15,17H2,1-7H3/t23-,26-,27-,28+,29-,30+/m1/s1",COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(O)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1,C30H40O4,pos_2_2proton,464.29265976,JFACETXYABVHFD,Terpenoids,Triterpenoids,Friedelane triterpenoids,Celastraceae,601168.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Unknown'],['Unknown'],6,0,6.0 54491,1954,-1,,,,0.0,MS1_match,JFACETXYABVHFD-WXPPGMDDSA-N,"InChI=1S/C30H40O4/c1-18-19-8-9-22-28(4,20(19)16-21(31)24(18)32)13-15-30(6)23-17-27(3,25(33)34-7)11-10-26(23,2)12-14-29(22,30)5/h8-9,16,23,32H,10-15,17H2,1-7H3/t23-,26-,27-,28+,29-,30+/m1/s1",COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(O)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1,C30H40O4,pos_2_2proton,464.29265976,JFACETXYABVHFD,Terpenoids,Triterpenoids,Friedelane triterpenoids,Lophopetalum wightianum,5513377.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Lophopetalum'],['Lophopetalum wightianum'],6,0,6.0 54492,1954,-1,,,,0.0,MS1_match,JFACETXYABVHFD-WXPPGMDDSA-N,"InChI=1S/C30H40O4/c1-18-19-8-9-22-28(4,20(19)16-21(31)24(18)32)13-15-30(6)23-17-27(3,25(33)34-7)11-10-26(23,2)12-14-29(22,30)5/h8-9,16,23,32H,10-15,17H2,1-7H3/t23-,26-,27-,28+,29-,30+/m1/s1",COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(O)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1,C30H40O4,pos_2_2proton,464.29265976,JFACETXYABVHFD,Terpenoids,Triterpenoids,Friedelane triterpenoids,Maytenus magellanica,433237.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Maytenus'],['Maytenus magellanica'],6,0,6.0 54493,1954,-1,,,,0.0,MS1_match,JFACETXYABVHFD-WXPPGMDDSA-N,"InChI=1S/C30H40O4/c1-18-19-8-9-22-28(4,20(19)16-21(31)24(18)32)13-15-30(6)23-17-27(3,25(33)34-7)11-10-26(23,2)12-14-29(22,30)5/h8-9,16,23,32H,10-15,17H2,1-7H3/t23-,26-,27-,28+,29-,30+/m1/s1",COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(O)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1,C30H40O4,pos_2_2proton,464.29265976,JFACETXYABVHFD,Terpenoids,Triterpenoids,Friedelane triterpenoids,Cheiloclinium hippocrateoides,6093280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Cheiloclinium'],['Cheiloclinium hippocrateoides'],6,0,6.0 54494,1954,-1,,,,0.0,MS1_match,JFACETXYABVHFD-WXPPGMDDSA-N,"InChI=1S/C30H40O4/c1-18-19-8-9-22-28(4,20(19)16-21(31)24(18)32)13-15-30(6)23-17-27(3,25(33)34-7)11-10-26(23,2)12-14-29(22,30)5/h8-9,16,23,32H,10-15,17H2,1-7H3/t23-,26-,27-,28+,29-,30+/m1/s1",COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(O)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1,C30H40O4,pos_2_2proton,464.29265976,JFACETXYABVHFD,Terpenoids,Triterpenoids,Friedelane triterpenoids,Maytenus woodsonii,433240.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Maytenus'],['Maytenus woodsonii'],6,0,6.0 54495,1954,-1,,,,0.0,MS1_match,JFACETXYABVHFD-WXPPGMDDSA-N,"InChI=1S/C30H40O4/c1-18-19-8-9-22-28(4,20(19)16-21(31)24(18)32)13-15-30(6)23-17-27(3,25(33)34-7)11-10-26(23,2)12-14-29(22,30)5/h8-9,16,23,32H,10-15,17H2,1-7H3/t23-,26-,27-,28+,29-,30+/m1/s1",COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(O)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1,C30H40O4,pos_2_2proton,464.29265976,JFACETXYABVHFD,Terpenoids,Triterpenoids,Friedelane triterpenoids,Celastrus hypoleucus,1019456.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Celastrus'],['Celastrus hypoleucus'],6,0,6.0 54496,1954,-1,,,,0.0,MS1_match,JFACETXYABVHFD-WXPPGMDDSA-N,"InChI=1S/C30H40O4/c1-18-19-8-9-22-28(4,20(19)16-21(31)24(18)32)13-15-30(6)23-17-27(3,25(33)34-7)11-10-26(23,2)12-14-29(22,30)5/h8-9,16,23,32H,10-15,17H2,1-7H3/t23-,26-,27-,28+,29-,30+/m1/s1",COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(O)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1,C30H40O4,pos_2_2proton,464.29265976,JFACETXYABVHFD,Terpenoids,Triterpenoids,Friedelane triterpenoids,Cheiloclinium cognatum,583081.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Cheiloclinium'],['Cheiloclinium cognatum'],6,0,6.0 54497,1954,-1,,,,0.0,MS1_match,JFACETXYABVHFD-WXPPGMDDSA-N,"InChI=1S/C30H40O4/c1-18-19-8-9-22-28(4,20(19)16-21(31)24(18)32)13-15-30(6)23-17-27(3,25(33)34-7)11-10-26(23,2)12-14-29(22,30)5/h8-9,16,23,32H,10-15,17H2,1-7H3/t23-,26-,27-,28+,29-,30+/m1/s1",COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(O)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1,C30H40O4,pos_2_2proton,464.29265976,JFACETXYABVHFD,Terpenoids,Triterpenoids,Friedelane triterpenoids,Elaeodendron balae,6092544.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Elaeodendron'],['Elaeodendron balae'],6,0,6.0 54498,1954,-1,,,,0.0,MS1_match,JFACETXYABVHFD-WXPPGMDDSA-N,"InChI=1S/C30H40O4/c1-18-19-8-9-22-28(4,20(19)16-21(31)24(18)32)13-15-30(6)23-17-27(3,25(33)34-7)11-10-26(23,2)12-14-29(22,30)5/h8-9,16,23,32H,10-15,17H2,1-7H3/t23-,26-,27-,28+,29-,30+/m1/s1",COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(O)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1,C30H40O4,pos_2_2proton,464.29265976,JFACETXYABVHFD,Terpenoids,Triterpenoids,Friedelane triterpenoids,Lydenburgia cassinoides,55968.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Lydenburgia'],['Lydenburgia cassinoides'],6,0,6.0 54499,1954,-1,,,,0.0,MS1_match,ZNQFUVKAKSTVGH-ANSCHSPDSA-N,"InChI=1S/C30H40O4/c1-18-19-8-10-28(4)21(20(19)16-22(31)24(18)32)9-11-29(5)23-17-27(3,25(33)34-7)13-12-26(23,2)14-15-30(28,29)6/h8-10,16,23,31-32H,11-15,17H2,1-7H3/t23-,26-,27-,28-,29+,30-/m1/s1",COC(=O)[C@]1(C)CC[C@]2(C)CC[C@@]3(C)[C@@](C)(CC=C4c5cc(O)c(O)c(C)c5C=C[C@]43C)[C@@H]2C1,C30H40O4,pos_2_2proton,464.29265976,ZNQFUVKAKSTVGH,Terpenoids,,,Monteverdia ilicifolia,433235.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Monteverdia'],['Monteverdia ilicifolia'],6,0,6.0 54500,1954,-1,,,,0.0,MS1_match,JFACETXYABVHFD-UHFFFAOYSA-N,"InChI=1S/C30H40O4/c1-18-19-8-9-22-28(4,20(19)16-21(31)24(18)32)13-15-30(6)23-17-27(3,25(33)34-7)11-10-26(23,2)12-14-29(22,30)5/h8-9,16,23,32H,10-15,17H2,1-7H3",COC(=O)C1(C)CCC2(C)CCC3(C)C4=CC=C5C(=CC(=O)C(O)=C5C)C4(C)CCC3(C)C2C1,C30H40O4,pos_2_2proton,464.29265976,JFACETXYABVHFD,Terpenoids,Triterpenoids,Friedelane triterpenoids,Celastrus monospermus,270189.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Celastrus'],['Celastrus monospermus'],6,0,6.0 54501,1954,-1,,,,0.0,MS1_match,JFACETXYABVHFD-WXPPGMDDSA-N,"InChI=1S/C30H40O4/c1-18-19-8-9-22-28(4,20(19)16-21(31)24(18)32)13-15-30(6)23-17-27(3,25(33)34-7)11-10-26(23,2)12-14-29(22,30)5/h8-9,16,23,32H,10-15,17H2,1-7H3/t23-,26-,27-,28+,29-,30+/m1/s1",COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(O)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1,C30H40O4,pos_2_2proton,464.29265976,JFACETXYABVHFD,Terpenoids,Triterpenoids,Friedelane triterpenoids,Acanthothamnus aphyllus,739323.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Acanthothamnus'],['Acanthothamnus aphyllus'],6,0,6.0 54381,1952,186,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.2854991,ISDB,UTUISHMYVAZILQ-UHFFFAOYSA-N,"InChI=1S/C30H26O12/c31-14-24-29(42-25(36)10-3-15-1-6-17(32)7-2-15)27(37)28(38)30(41-24)39-19-11-20(34)26-21(35)13-22(40-23(26)12-19)16-4-8-18(33)9-5-16/h1-13,24,27-34,37-38H,14H2",O=C(C=Cc1ccc(O)cc1)OC1C(CO)OC(Oc2cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc3c2)C(O)C1O,C30H26O12,,578.142426272,UTUISHMYVAZILQ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Clematis terniflora,21289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis terniflora'],9,3,11.641996383666992 54345,1951,-1,,,,0.9061751,ISDB,JYVVXGYNFYHSER-UINNMSKDSA-N,"InChI=1S/C14H20O2/c1-8-10-7-13(2,3)5-9-6-14(9,4)11(10)12(15)16-8/h8-9H,5-7H2,1-4H3/t8-,9-,14+/m0/s1",C[C@@H]1OC(=O)C2=C1CC(C)(C)C[C@H]1C[C@@]21C,C14H20O2,,220.14632988,JYVVXGYNFYHSER,Terpenoids,Sesquiterpenoids,Africanane sesquiterpenoids,Porella swartziana,250779.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Jungermanniopsida'],['Porellales'],['Porellaceae'],['Unknown'],['Porella'],['Porella swartziana'],3,0,6.624700307846069 54296,1948,847,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,0.27564725,ISDB,UNWCWBJEKCTIML-GKCIPKSASA-N,"InChI=1S/C22H24O8/c1-25-17-8-13(9-18(26-2)21(17)27-3)20(23)19-14(10-28-22(19)24)6-12-4-5-15-16(7-12)30-11-29-15/h4-5,7-9,14,19-20,23H,6,10-11H2,1-3H3/t14-,19-,20-/m0/s1",COc1cc([C@H](O)[C@H]2C(=O)OC[C@@H]2Cc2ccc3c(c2)OCO3)cc(OC)c1OC,C22H24O8,,416.14711772799984,UNWCWBJEKCTIML,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Condea verticillata,1062465.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Ocimeae'],['Condea'],['Condea verticillata'],4,2,6.102589011192322 54297,1948,847,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,0.27564725,ISDB,UNWCWBJEKCTIML-GKCIPKSASA-N,"InChI=1S/C22H24O8/c1-25-17-8-13(9-18(26-2)21(17)27-3)20(23)19-14(10-28-22(19)24)6-12-4-5-15-16(7-12)30-11-29-15/h4-5,7-9,14,19-20,23H,6,10-11H2,1-3H3/t14-,19-,20-/m0/s1",COc1cc([C@H](O)[C@H]2C(=O)OC[C@@H]2Cc2ccc3c(c2)OCO3)cc(OC)c1OC,C22H24O8,,416.14711772799984,UNWCWBJEKCTIML,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Hernandia guianensis,373836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Hernandiaceae'],['Unknown'],['Hernandia'],['Hernandia guianensis'],4,2,6.102589011192322 54298,1948,847,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,0.27564725,ISDB,UNWCWBJEKCTIML-GKCIPKSASA-N,"InChI=1S/C22H24O8/c1-25-17-8-13(9-18(26-2)21(17)27-3)20(23)19-14(10-28-22(19)24)6-12-4-5-15-16(7-12)30-11-29-15/h4-5,7-9,14,19-20,23H,6,10-11H2,1-3H3/t14-,19-,20-/m0/s1",COc1cc([C@H](O)[C@H]2C(=O)OC[C@@H]2Cc2ccc3c(c2)OCO3)cc(OC)c1OC,C22H24O8,,416.14711772799984,UNWCWBJEKCTIML,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Hernandia ovigera,1072062.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Hernandiaceae'],['Unknown'],['Hernandia'],['Hernandia ovigera'],4,2,6.102589011192322 54299,1948,847,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,0.27564725,ISDB,UNWCWBJEKCTIML-GKCIPKSASA-N,"InChI=1S/C22H24O8/c1-25-17-8-13(9-18(26-2)21(17)27-3)20(23)19-14(10-28-22(19)24)6-12-4-5-15-16(7-12)30-11-29-15/h4-5,7-9,14,19-20,23H,6,10-11H2,1-3H3/t14-,19-,20-/m0/s1",COc1cc([C@H](O)[C@H]2C(=O)OC[C@@H]2Cc2ccc3c(c2)OCO3)cc(OC)c1OC,C22H24O8,,416.14711772799984,UNWCWBJEKCTIML,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Hernandia sonora,1035519.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Hernandiaceae'],['Unknown'],['Hernandia'],['Hernandia sonora'],4,2,6.102589011192322 54300,1948,847,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,0.27564725,ISDB,UNWCWBJEKCTIML-GKCIPKSASA-N,"InChI=1S/C22H24O8/c1-25-17-8-13(9-18(26-2)21(17)27-3)20(23)19-14(10-28-22(19)24)6-12-4-5-15-16(7-12)30-11-29-15/h4-5,7-9,14,19-20,23H,6,10-11H2,1-3H3/t14-,19-,20-/m0/s1",COc1cc([C@H](O)[C@H]2C(=O)OC[C@@H]2Cc2ccc3c(c2)OCO3)cc(OC)c1OC,C22H24O8,,416.14711772799984,UNWCWBJEKCTIML,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Hernandia nymphaeifolia,638626.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Hernandiaceae'],['Unknown'],['Hernandia'],['Hernandia nymphaeifolia'],4,2,6.102589011192322 54301,1948,847,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,0.27564725,ISDB,UNWCWBJEKCTIML-UHFFFAOYSA-N,"InChI=1S/C22H24O8/c1-25-17-8-13(9-18(26-2)21(17)27-3)20(23)19-14(10-28-22(19)24)6-12-4-5-15-16(7-12)30-11-29-15/h4-5,7-9,14,19-20,23H,6,10-11H2,1-3H3",COc1cc(C(O)C2C(=O)OCC2Cc2ccc3c(c2)OCO3)cc(OC)c1OC,C22H24O8,,416.147117728,UNWCWBJEKCTIML,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Podophyllum hexandrum,981662.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Berberidaceae'],['Unknown'],['Sinopodophyllum'],['Sinopodophyllum hexandrum'],4,2,6.102589011192322 54292,1946,-1,,,,0.33760476,ISDB,NWAXYBAWVFTOMC-GODIQTDRSA-N,"InChI=1S/C23H34O6/c1-13-8-7-9-17-21(3,14(2)10-18(24)22(13,17)4)11-15-19(25)16(28-5)12-23(15,27)20(26)29-6/h12,14-15,17-18,24,27H,1,7-11H2,2-6H3/t14-,15?,17?,18+,21+,22+,23+/m1/s1",C=C1CCCC2[C@@]1(C)[C@@H](O)C[C@@H](C)[C@]2(C)CC1C(=O)C(OC)=C[C@@]1(O)C(=O)OC,C23H34O6,,406.235538808,NWAXYBAWVFTOMC,Terpenoids,Diterpenoids,,Dactylospongia elegans,165927.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Dictyoceratida'],['Thorectidae'],['Unknown'],['Dactylospongia'],['Dactylospongia elegans'],1,0,2.350419044494629 54293,1946,-1,,,,0.33760476,ISDB,NWAXYBAWVFTOMC-GODIQTDRSA-N,"InChI=1S/C23H34O6/c1-13-8-7-9-17-21(3,14(2)10-18(24)22(13,17)4)11-15-19(25)16(28-5)12-23(15,27)20(26)29-6/h12,14-15,17-18,24,27H,1,7-11H2,2-6H3/t14-,15?,17?,18+,21+,22+,23+/m1/s1",C=C1CCCC2[C@@]1(C)[C@@H](O)C[C@@H](C)[C@]2(C)CC1C(=O)C(OC)=C[C@@]1(O)C(=O)OC,C23H34O6,,406.235538808,NWAXYBAWVFTOMC,Terpenoids,Diterpenoids,,Dactylospongia,165929.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Dictyoceratida'],['Thorectidae'],['Unknown'],['Dactylospongia'],['Unknown'],1,0,2.350419044494629 53926,1941,217,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.7189338,ISDB,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Adonis tianschanica,6130933.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Adonideae'],['Adonis'],['Adonis tianschanica'],6,3,10.37573528289795 53927,1941,217,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.7189338,ISDB,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Adonis mongolica,6130927.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Adonideae'],['Adonis'],['Adonis mongolica'],6,3,10.37573528289795 53920,1938,344,Fatty acids,Fatty esters,Wax monoesters,0.0,MS1_match,RBKMRGOHCLRTLZ-KHPPLWFESA-N,"InChI=1S/C21H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h10-11H,3-9,12-20H2,1-2H3/b11-10-",CCCCCCCC/C=C\CCCCCCCCCC(=O)OC,C21H40O2,pos_1_1proton1acetonitrile,324.30283052,RBKMRGOHCLRTLZ,Fatty acids,Fatty esters,Wax monoesters,Delphinium consolida,756488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida ajacis'],6,3,7.5 53921,1938,344,Fatty acids,Fatty esters,Wax monoesters,0.0,MS1_match,RBKMRGOHCLRTLZ-KHPPLWFESA-N,"InChI=1S/C21H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h10-11H,3-9,12-20H2,1-2H3/b11-10-",CCCCCCCC/C=C\CCCCCCCCCC(=O)OC,C21H40O2,pos_1_1proton1acetonitrile,324.30283052,RBKMRGOHCLRTLZ,Fatty acids,Fatty esters,Wax monoesters,Consolida regalis,733334.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida regalis'],6,3,7.5 53922,1938,344,Fatty acids,Fatty esters,Wax monoesters,0.0,MS1_match,RBKMRGOHCLRTLZ-KHPPLWFESA-N,"InChI=1S/C21H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h10-11H,3-9,12-20H2,1-2H3/b11-10-",CCCCCCCC/C=C\CCCCCCCCCC(=O)OC,C21H40O2,pos_1_1proton1acetonitrile,324.30283052,RBKMRGOHCLRTLZ,Fatty acids,Fatty esters,Wax monoesters,Delphinium schmalhausenii,7591251.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium schmalhausenii'],6,3,7.5 53923,1938,344,Fatty acids,Fatty esters,Wax monoesters,0.0,MS1_match,RBKMRGOHCLRTLZ-KHPPLWFESA-N,"InChI=1S/C21H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h10-11H,3-9,12-20H2,1-2H3/b11-10-",CCCCCCCC/C=C\CCCCCCCCCC(=O)OC,C21H40O2,pos_1_1proton1acetonitrile,324.30283052,RBKMRGOHCLRTLZ,Fatty acids,Fatty esters,Wax monoesters,Delphinium fissum,833960.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium fissum'],6,3,7.5 53891,1937,-1,,,,0.38162264,ISDB,IHFRPKCRDFDADJ-FUJDEKNSSA-N,"InChI=1S/C18H26O2/c1-12-14(19)5-6-15-17(12,3)8-7-13-11-16(2,20)9-10-18(13,15)4/h5-6,13,15,20H,1,7-11H2,2-4H3/t13-,15-,16-,17+,18-/m0/s1",C=C1C(=O)C=C[C@@H]2[C@@]3(C)CC[C@](C)(O)C[C@@H]3CC[C@]12C,C18H26O2,,274.193280072,IHFRPKCRDFDADJ,Terpenoids,Diterpenoids,Erythroxylane diterpenoids,Ceriops tagal,163833.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Rhizophoraceae'],['Unknown'],['Ceriops'],['Ceriops tagal'],4,0,5.526490569114685 53843,1935,512,Terpenoids,Aromatic polyketides,Aromatic polyketides with side chains,0.54785335,ISDB,JDKUSIUPEUOZEW-MUFKJQONSA-N,"InChI=1S/C24H38O6/c1-16(11-13-25)10-12-23(3)18(15-30-22(29)9-8-21(27)28)19(26)14-24(4)17(2)6-5-7-20(23)24/h6,11,18-20,25-26H,5,7-10,12-15H2,1-4H3,(H,27,28)/b16-11+/t18-,19+,20-,23+,24+/m1/s1",CC1=CCC[C@@H]2[C@@](C)(CC/C(C)=C/CO)[C@H](COC(=O)CCC(=O)O)[C@@H](O)C[C@@]12C,C24H38O6,,422.266838936,JDKUSIUPEUOZEW,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Baccharis pteronioides,3898913.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis pteronioides'],4,1,6.691413402557373 53799,1934,520,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,DARGUPSDBIBHDD-SNVBAGLBSA-N,"InChI=1S/C12H16O3/c1-5-10(13-2)9-6-7-11(14-3)12(8-9)15-4/h5-8,10H,1H2,2-4H3/t10-/m1/s1",C=C[C@@H](OC)c1ccc(OC)c(OC)c1,C12H16O3,pos_1_1proton,208.109944372,DARGUPSDBIBHDD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Morina chinensis,68249.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Morina'],['Morina chinensis'],6,3,7.5 53797,1932,-1,,,,0.0,MS1_match,HMTVXYYWICMXMY-YSVDCJIHSA-N,"InChI=1S/C15H26O3/c1-8-5-11(16)13-9(8)6-10-12(17)7-15(13,4)18-14(10,2)3/h8-13,16-17H,5-7H2,1-4H3/t8-,9-,10+,11-,12+,13+,15+/m1/s1",C[C@@H]1C[C@@H](O)[C@@H]2[C@@H]1C[C@H]1[C@@H](O)C[C@]2(C)OC1(C)C,C15H26O3,pos_1_1potassium,254.188194692,HMTVXYYWICMXMY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 53798,1932,-1,,,,0.0,MS1_match,HMTVXYYWICMXMY-YSVDCJIHSA-N,"InChI=1S/C15H26O3/c1-8-5-11(16)13-9(8)6-10-12(17)7-15(13,4)18-14(10,2)3/h8-13,16-17H,5-7H2,1-4H3/t8-,9-,10+,11-,12+,13+,15+/m1/s1",C[C@@H]1C[C@@H](O)[C@@H]2[C@@H]1C[C@H]1[C@@H](O)C[C@]2(C)OC1(C)C,C15H26O3,pos_1_1potassium,254.188194692,HMTVXYYWICMXMY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Valeriana fauriei,228778.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana fauriei'],6,0,6.0 53519,1930,666,Terpenoids,Sesquiterpenoids,Acyclic monoterpenoids,0.4846947,ISDB,NSCUDPABUZNJRT-JURCDPSOSA-N,"InChI=1S/C15H24O4/c1-6-14(5)8-7-12(17-14)11(2)15(16)10-9-13(3,4)18-19-15/h6,9-12,16H,1,7-8H2,2-5H3/t11-,12-,14-,15-/m0/s1",C=C[C@@]1(C)CC[C@@H]([C@H](C)[C@]2(O)C=CC(C)(C)OO2)O1,C15H24O4,,268.167459248,NSCUDPABUZNJRT,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Artemisia reptans,1063447.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia reptans'],4,3,7.438778758049011 53520,1930,666,Terpenoids,Sesquiterpenoids,Acyclic monoterpenoids,0.4846947,ISDB,NSCUDPABUZNJRT-JURCDPSOSA-N,"InChI=1S/C15H24O4/c1-6-14(5)8-7-12(17-14)11(2)15(16)10-9-13(3,4)18-19-15/h6,9-12,16H,1,7-8H2,2-5H3/t11-,12-,14-,15-/m0/s1",C=C[C@@]1(C)CC[C@@H]([C@H](C)[C@]2(O)C=CC(C)(C)OO2)O1,C15H24O4,,268.167459248,NSCUDPABUZNJRT,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Tanacetum vulgare,602516.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum vulgare'],4,3,7.438778758049011 53521,1930,666,Terpenoids,Sesquiterpenoids,Acyclic monoterpenoids,0.4846947,ISDB,NSCUDPABUZNJRT-JURCDPSOSA-N,"InChI=1S/C15H24O4/c1-6-14(5)8-7-12(17-14)11(2)15(16)10-9-13(3,4)18-19-15/h6,9-12,16H,1,7-8H2,2-5H3/t11-,12-,14-,15-/m0/s1",C=C[C@@]1(C)CC[C@@H]([C@H](C)[C@]2(O)C=CC(C)(C)OO2)O1,C15H24O4,,268.167459248,NSCUDPABUZNJRT,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Artemisia inculta,969157.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia inculta'],4,3,7.438778758049011 53522,1930,666,Terpenoids,Sesquiterpenoids,Acyclic monoterpenoids,0.4846947,ISDB,NSCUDPABUZNJRT-JURCDPSOSA-N,"InChI=1S/C15H24O4/c1-6-14(5)8-7-12(17-14)11(2)15(16)10-9-13(3,4)18-19-15/h6,9-12,16H,1,7-8H2,2-5H3/t11-,12-,14-,15-/m0/s1",C=C[C@@]1(C)CC[C@@H]([C@H](C)[C@]2(O)C=CC(C)(C)OO2)O1,C15H24O4,,268.167459248,NSCUDPABUZNJRT,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Artemisia deserti,220486.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia deserti'],4,3,7.438778758049011 53523,1930,666,Terpenoids,Sesquiterpenoids,Acyclic monoterpenoids,0.4846947,ISDB,NSCUDPABUZNJRT-GHJRKTJFSA-N,"InChI=1S/C15H24O4/c1-6-14(5)8-7-12(17-14)11(2)15(16)10-9-13(3,4)18-19-15/h6,9-12,16H,1,7-8H2,2-5H3/t11-,12-,14-,15?/m0/s1",C=C[C@@]1(C)CC[C@@H]([C@H](C)C2(O)C=CC(C)(C)OO2)O1,C15H24O4,,268.167459248,NSCUDPABUZNJRT,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Artemisia herba-alba,693395.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia herba-alba'],4,3,7.438778758049011 53524,1930,666,Terpenoids,Sesquiterpenoids,Acyclic monoterpenoids,0.4846947,ISDB,NSCUDPABUZNJRT-JURCDPSOSA-N,"InChI=1S/C15H24O4/c1-6-14(5)8-7-12(17-14)11(2)15(16)10-9-13(3,4)18-19-15/h6,9-12,16H,1,7-8H2,2-5H3/t11-,12-,14-,15-/m0/s1",C=C[C@@]1(C)CC[C@@H]([C@H](C)[C@]2(O)C=CC(C)(C)OO2)O1,C15H24O4,,268.167459248,NSCUDPABUZNJRT,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Artemisia abrotanum,725860.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia abrotanum'],4,3,7.438778758049011 53510,1926,-1,,,,0.2802708,ISDB,XLLPFFSFQQPASS-KZIVNFMESA-N,"InChI=1S/C19H30O4/c1-3-4-10-15-19(22)16(13-14-17(19)20)11-8-6-5-7-9-12-18(21)23-2/h4,10,13,22H,3,5-9,11-12,14-15H2,1-2H3/b10-4-/t19-/m1/s1",CC/C=C\C[C@]1(O)C(=O)CC=C1CCCCCCCC(=O)OC,C19H30O4,,322.21440943999994,XLLPFFSFQQPASS,,,,Chromolaena morii,5920820.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Chromolaena'],['Chromolaena morii'],4,0,5.1210832595825195 53421,1925,-1,,,,0.6943202,ISDB,BPUKUJAZQKFJAN-MLHJIOFPSA-N,"InChI=1S/C18H24O3/c1-5-17(4)10-11-18(12(2)3)20-15(16(17)21-18)13-6-8-14(19)9-7-13/h5-9,12,15-16,19H,1,10-11H2,2-4H3/t15-,16+,17+,18-/m0/s1",C=C[C@]1(C)CC[C@@]2(C(C)C)O[C@@H]1[C@H](c1ccc(O)cc1)O2,C18H24O3,,288.172544628,BPUKUJAZQKFJAN,Terpenoids,Meroterpenoids,Meromonoterpenoids,Cullen corylifolium,541330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Psoraleeae'],['Cullen'],['Cullen corylifolium'],4,0,6.777280807495117 53422,1925,-1,,,,0.6943202,ISDB,BPUKUJAZQKFJAN-MLHJIOFPSA-N,"InChI=1S/C18H24O3/c1-5-17(4)10-11-18(12(2)3)20-15(16(17)21-18)13-6-8-14(19)9-7-13/h5-9,12,15-16,19H,1,10-11H2,2-4H3/t15-,16+,17+,18-/m0/s1",C=C[C@]1(C)CC[C@@]2(C(C)C)O[C@@H]1[C@H](c1ccc(O)cc1)O2,C18H24O3,,288.172544628,BPUKUJAZQKFJAN,Terpenoids,Meroterpenoids,Meromonoterpenoids,Cullen corylifolia,541330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Psoraleeae'],['Cullen'],['Cullen corylifolium'],4,0,6.777280807495117 53416,1922,-1,,,,0.7530836,ISDB,,,,,,,QQFSIGWYINAJOB,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,3.0123343467712402 53412,1921,15,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,0.29908368,ISDB,LOMSXVINRLISDY-VYRBHSGPSA-N,"InChI=1S/C17H28O5/c1-2-3-4-5-6-7-8-9-10-11-12-14(17(21)22)16(20)15(19)13-18/h8-12,15-16,18-20H,2-7,13H2,1H3,(H,21,22)/t15-,16?/m0/s1",CCCCCCCC=CC=CC=C(C(=O)O)C(O)[C@@H](O)CO,C17H28O5,,312.193673996,LOMSXVINRLISDY,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Cytospora populina,5316824.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Diaporthales'],['Valsaceae'],['Unknown'],['Cytospora'],['Cytospora populina'],1,0,2.196334719657898 53328,1918,58,Polyketides,Glycerolipids,Glycosyldiacylglycerols,0.7414075,ISDB,JDVDGNAHTZMMBI-UHFFFAOYSA-N,"InChI=1S/C21H36O3/c1-5-7-8-9-10-11-12-13-14-15-16-19-17(3)20(22)18(6-2)21(23-4)24-19/h5-16H2,1-4H3",CCCCCCCCCCCCc1oc(OC)c(CC)c(=O)c1C,C21H36O3,,336.266445012,JDVDGNAHTZMMBI,Polyketides,Cyclic polyketides,4-pyrone derivatives,Podolepis rugata,24091.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Podolepis'],['Podolepis rugata'],4,1,7.465630054473877 53326,1914,-1,,,,0.0,MS1_match,UZSZTNKGIQMEOL-QGODIXMOSA-N,"InChI=1S/C39H60O12/c1-20(40)48-28-29-34(7)13-16-39(51-34,33(5,6)45)47-19-38(29)15-14-37-18-36(37)12-11-25(50-31-27(44)26(43)22(42)17-46-31)32(3,4)23(36)9-10-24(37)35(38,8)30(28)49-21(2)41/h22-31,42-45H,9-19H2,1-8H3/t22-,23+,24+,25+,26+,27-,28-,29-,30-,31+,34+,35-,36-,37+,38+,39+/m1/s1",CC(=O)O[C@H]1[C@@H](OC(C)=O)[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)CC[C@@]45C[C@@]35CC[C@@]23CO[C@@]2(C(C)(C)O)CC[C@](C)(O2)[C@@H]13,C39H60O12,pos_3_3sodium,720.40847736,UZSZTNKGIQMEOL,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Beesia calthifolia,877310.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Beesia'],['Beesia calthifolia'],6,0,6.0 53324,1912,-1,,,,0.0,MS1_match,DYFUVQSGLMQLRX-ALBXZGMBSA-N,"InChI=1S/C36H56O10/c1-31(2)13-15-36(30(43)44)16-14-34(5)19(20(36)17-31)7-8-22-32(3)11-10-23(33(4,18-37)21(32)9-12-35(22,34)6)45-29-26(40)24(38)25(39)27(46-29)28(41)42/h7,20-27,29,37-40H,8-18H2,1-6H3,(H,41,42)(H,43,44)/t20-,21+,22+,23-,24-,25-,26+,27-,29+,32-,33-,34+,35+,36-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C36H56O10,pos_2_2sodium,648.387347992,DYFUVQSGLMQLRX,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lonicera nigra,179065.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera nigra'],7,0,7.0 53325,1912,-1,,,,0.0,MS1_match,DYFUVQSGLMQLRX-ALBXZGMBSA-N,"InChI=1S/C36H56O10/c1-31(2)13-15-36(30(43)44)16-14-34(5)19(20(36)17-31)7-8-22-32(3)11-10-23(33(4,18-37)21(32)9-12-35(22,34)6)45-29-26(40)24(38)25(39)27(46-29)28(41)42/h7,20-27,29,37-40H,8-18H2,1-6H3,(H,41,42)(H,43,44)/t20-,21+,22+,23-,24-,25-,26+,27-,29+,32-,33-,34+,35+,36-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C36H56O10,pos_2_2sodium,648.387347992,DYFUVQSGLMQLRX,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lonicera nigra,179065.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera nigra'],7,0,7.0 53323,1911,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,AAJDHOXHRGMSLB-QCECGRHHSA-N,"InChI=1S/C14H28O8/c1-7(16)8(14(2,3)20)4-5-21-13-12(19)11(18)10(17)9(6-15)22-13/h7-13,15-20H,4-6H2,1-3H3/t7-,8-,9+,10+,11-,12+,13+/m0/s1",C[C@H](O)[C@H](CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(C)(C)O,C14H28O8,pos_1_1proton2acetonitrile,324.178417856,AAJDHOXHRGMSLB,Terpenoids,,,Adonis aleppica,6130911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Adonideae'],['Adonis'],['Adonis aleppica'],6,1,6.5 52956,1910,623,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.7527692,ISDB,YUSWMAULDXZHPY-UHFFFAOYSA-N,"InChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)24-12-23(38)29-21(36)10-20(35)27(30(29)40-24)17-7-14(3-6-18(17)33)25-11-22(37)28-19(34)8-16(32)9-26(28)39-25/h1-12,31-36H",O=c1cc(-c2ccc(O)c(-c3c(O)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)c2)oc2cc(O)cc(O)c12,C30H18O10,,538.089996776,YUSWMAULDXZHPY,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Leycesteria formosa,225983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Leycesteria'],['Leycesteria formosa'],6,3,10.51107668876648 52953,1909,144,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,0.28718495,ISDB,KTFHNNJQQWKFQS-XSQKZGFSSA-N,"InChI=1S/C27H44O11S/c1-3-14-4-6-16-15-5-7-18-23(19(30)9-11-27(18,13-29)17(15)8-10-26(14,16)2)37-25-22(32)24(38-39(33,34)35)21(31)20(12-28)36-25/h3,14-25,28-32H,1,4-13H2,2H3,(H,33,34,35)/t14-,15-,16-,17-,18-,19-,20+,21+,22+,23+,24-,25-,26-,27-/m0/s1",C=C[C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](OS(=O)(=O)O)[C@H]5O)[C@@H](O)CC[C@]4(CO)[C@H]3CC[C@@]12C,C27H44O11S,,576.260433228,KTFHNNJQQWKFQS,Terpenoids,Steroids,Pregnane steroids,Ptilocaulis spiculifer,1065726.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Axinellida'],['Axinellidae'],['Unknown'],['Ptilocaulis'],['Ptilocaulis spiculifer'],1,0,2.148739814758301 52841,1907,-1,,,,0.5049256,ISDB,NRBFZHKWPWGDAN-UHFFFAOYSA-N,"InChI=1S/C19H30O3/c1-5-17(2)12-9-13-14(22-17)7-8-15-18(13,3)10-6-11-19(15,4)16(20)21/h5,13-15H,1,6-12H2,2-4H3,(H,20,21)",C=CC1(C)CCC2C(CCC3C(C)(C(=O)O)CCCC23C)O1,C19H30O3,,306.21949482,NRBFZHKWPWGDAN,Terpenoids,Diterpenoids,Norlabdane diterpenoids,Tripterygium wilfordii,300831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium wilfordii'],6,0,8.019702434539795 52778,1906,-1,,,,0.5028126,ISDB,MNOFWIGNEQZDMR-GSDPDGKRSA-N,"InChI=1S/C29H38O4/c1-17-7-8-20-18(2)24(31)22(30)15-21(20)19(17)9-10-29-23-16-28(6,25(32)33-29)14-13-27(23,5)12-11-26(29,3)4/h7-8,15,23,30-31H,9-14,16H2,1-6H3/t23-,27+,28-,29-/m1/s1",Cc1ccc2c(C)c(O)c(O)cc2c1CC[C@]12OC(=O)[C@]3(C)CC[C@](C)(CCC1(C)C)[C@H]2C3,C29H38O4,,450.277009696,MNOFWIGNEQZDMR,Terpenoids,Diterpenoids,Labdane diterpenoids,Celastrus orbiculatus,56757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Celastrus'],['Celastrus orbiculatus'],4,0,6.0112504959106445 52763,1901,-1,,,,0.37427923,ISDB,NLBYRERHXBTBBR-RTBURBONSA-N,"InChI=1S/C19H36O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-18(21)15-19(22)16-23-17(2)20/h3,18-19,21-22H,1,4-16H2,2H3/t18-,19-/m1/s1",C=CCCCCCCCCCCC[C@@H](O)C[C@@H](O)COC(C)=O,C19H36O4,,328.26135963199994,NLBYRERHXBTBBR,Fatty acids,Fatty acyls,Fatty alcohols,Persea americana,913249.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Persea'],['Persea americana'],4,0,5.497116923332214 52762,1899,523,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.43486282,ISDB,NVACRDDCQWUEKZ-PBCNUSJZSA-N,"InChI=1S/C36H36O16/c1-16-26(41)28(43)30(45)35(48-16)47-15-23-33(51-24(40)12-7-17-5-3-2-4-6-17)29(44)31(46)36(50-23)52-34-27(42)25-21(39)13-20(38)14-22(25)49-32(34)18-8-10-19(37)11-9-18/h2-14,16,23,26,28-31,33,35-39,41,43-46H,15H2,1H3/b12-7+/t16-,23+,26-,28+,29+,30+,31+,33-,35+,36-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@H]2OC(=O)/C=C/c2ccccc2)[C@H](O)[C@H](O)[C@H]1O,C36H36O16,,724.200335072,NVACRDDCQWUEKZ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Sinoadina racemosa,1089075.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Naucleeae'],['Sinoadina'],['Sinoadina racemosa'],4,3,7.239451289176941 52760,1896,-1,,,,0.0,MS1_match,DYYRDAOHGZJZRW-HNNXBMFYSA-N,"InChI=1S/C20H26O3/c1-11(2)14-10-13-7-6-12(3)16-15(21)8-9-20(4,5)23-19(17(13)16)18(14)22/h6-7,10-11,15,21-22H,8-9H2,1-5H3/t15-/m0/s1",Cc1ccc2cc(C(C)C)c(O)c3c2c1[C@@H](O)CCC(C)(C)O3,C20H26O3,pos_1_1proton,314.188194692,DYYRDAOHGZJZRW,Terpenoids,Diterpenoids,Secoabietane diterpenoids,Nardostachys jatamansi,24101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Nardostachys'],['Nardostachys jatamansi'],6,0,6.0 52761,1896,-1,,,,0.0,MS1_match,DYYRDAOHGZJZRW-HNNXBMFYSA-N,"InChI=1S/C20H26O3/c1-11(2)14-10-13-7-6-12(3)16-15(21)8-9-20(4,5)23-19(17(13)16)18(14)22/h6-7,10-11,15,21-22H,8-9H2,1-5H3/t15-/m0/s1",Cc1ccc2cc(C(C)C)c(O)c3c2c1[C@@H](O)CCC(C)(C)O3,C20H26O3,pos_1_1proton,314.188194692,DYYRDAOHGZJZRW,Terpenoids,Diterpenoids,Secoabietane diterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,0,6.0 52616,1895,186,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.64311945,ISDB,DLVLXOYLQKCAME-DGHBBABESA-N,"InChI=1S/C22H22O11/c1-31-13-6-14-16(11(26)5-12(32-14)8-2-3-9(24)10(25)4-8)19(28)17(13)22-21(30)20(29)18(27)15(7-23)33-22/h2-6,15,18,20-25,27-30H,7H2,1H3/t15-,18-,20+,21-,22+/m1/s1",COc1cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c(O)c1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C22H22O11,,462.1162115239999,DLVLXOYLQKCAME,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Pterocephalus papposus,450630.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Pterocephalus'],['Pterocephalus papposus'],6,3,10.0724778175354 52617,1895,186,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.64311945,ISDB,DLVLXOYLQKCAME-DGHBBABESA-N,"InChI=1S/C22H22O11/c1-31-13-6-14-16(11(26)5-12(32-14)8-2-3-9(24)10(25)4-8)19(28)17(13)22-21(30)20(29)18(27)15(7-23)33-22/h2-6,15,18,20-25,27-30H,7H2,1H3/t15-,18-,20+,21-,22+/m1/s1",COc1cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c(O)c1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C22H22O11,,462.1162115239999,DLVLXOYLQKCAME,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Pterocephalus plumosus,5746454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Pterocephalus'],['Pterocephalus plumosus'],6,3,10.0724778175354 52618,1895,186,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.64311945,ISDB,DLVLXOYLQKCAME-DGHBBABESA-N,"InChI=1S/C22H22O11/c1-31-13-6-14-16(11(26)5-12(32-14)8-2-3-9(24)10(25)4-8)19(28)17(13)22-21(30)20(29)18(27)15(7-23)33-22/h2-6,15,18,20-25,27-30H,7H2,1H3/t15-,18-,20+,21-,22+/m1/s1",COc1cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c(O)c1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C22H22O11,,462.1162115239999,DLVLXOYLQKCAME,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Knautia montana,5512969.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Knautia'],['Knautia montana'],6,3,10.0724778175354 52619,1895,186,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.64311945,ISDB,DLVLXOYLQKCAME-DGHBBABESA-N,"InChI=1S/C22H22O11/c1-31-13-6-14-16(11(26)5-12(32-14)8-2-3-9(24)10(25)4-8)19(28)17(13)22-21(30)20(29)18(27)15(7-23)33-22/h2-6,15,18,20-25,27-30H,7H2,1H3/t15-,18-,20+,21-,22+/m1/s1",COc1cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c(O)c1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C22H22O11,,462.1162115239999,DLVLXOYLQKCAME,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cephalaria uralensis,518016.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Cephalaria'],['Cephalaria leucantha'],6,3,10.0724778175354 52620,1895,186,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.64311945,ISDB,DLVLXOYLQKCAME-DGHBBABESA-N,"InChI=1S/C22H22O11/c1-31-13-6-14-16(11(26)5-12(32-14)8-2-3-9(24)10(25)4-8)19(28)17(13)22-21(30)20(29)18(27)15(7-23)33-22/h2-6,15,18,20-25,27-30H,7H2,1H3/t15-,18-,20+,21-,22+/m1/s1",COc1cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c(O)c1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C22H22O11,,462.1162115239999,DLVLXOYLQKCAME,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Knautia tatarica,5512969.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Knautia'],['Knautia montana'],6,3,10.0724778175354 52621,1895,186,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.64311945,ISDB,DLVLXOYLQKCAME-UHFFFAOYSA-N,"InChI=1S/C22H22O11/c1-31-13-6-14-16(11(26)5-12(32-14)8-2-3-9(24)10(25)4-8)19(28)17(13)22-21(30)20(29)18(27)15(7-23)33-22/h2-6,15,18,20-25,27-30H,7H2,1H3",COc1cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c(O)c1C1OC(CO)C(O)C(O)C1O,C22H22O11,,462.116211524,DLVLXOYLQKCAME,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cephalaria leucantha,518016.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Cephalaria'],['Cephalaria leucantha'],6,3,10.0724778175354 52489,1894,-1,,,,0.7683789,ISDB,YPHQMIRXEFDOQM-UHFFFAOYSA-N,"InChI=1S/C18H30O3/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(20)21/h1-3,5,7,9,19H,4,6,8,10-17H2,(H,20,21)",O=C(O)CCCCCCCC=CC=CC=CCCCCO,C18H30O3,,294.21949482,YPHQMIRXEFDOQM,Fatty acids,Fatty Acids and Conjugates,,Mallotus claoxyloides,339734.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Mallotus'],['Mallotus claoxyloides'],4,0,7.0735156536102295 52490,1894,-1,,,,0.7683789,ISDB,YPHQMIRXEFDOQM-UHFFFAOYSA-N,"InChI=1S/C18H30O3/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(20)21/h1-3,5,7,9,19H,4,6,8,10-17H2,(H,20,21)",O=C(O)CCCCCCCC=CC=CC=CCCCCO,C18H30O3,,294.21949482,YPHQMIRXEFDOQM,Fatty acids,Fatty Acids and Conjugates,,Mallotus discolor,762446.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Mallotus'],['Mallotus discolor'],4,0,7.0735156536102295 52491,1894,-1,,,,0.7683789,ISDB,YPHQMIRXEFDOQM-UHFFFAOYSA-N,"InChI=1S/C18H30O3/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(20)21/h1-3,5,7,9,19H,4,6,8,10-17H2,(H,20,21)",O=C(O)CCCCCCCC=CC=CC=CCCCCO,C18H30O3,,294.21949482,YPHQMIRXEFDOQM,Fatty acids,Fatty Acids and Conjugates,,Lotus discolor,70013.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus discolor'],4,0,7.0735156536102295 52485,1892,-1,,,,0.0,MS1_match,HRGUSFBJBOKSML-UHFFFAOYSA-N,"InChI=1S/C17H14O7/c1-22-14-3-8(4-15(23-2)17(14)21)12-7-11(20)16-10(19)5-9(18)6-13(16)24-12/h3-7,18-19,21H,1-2H3",COc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc(OC)c1O,C17H14O7,pos_1_1proton,330.073952788,HRGUSFBJBOKSML,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Valeriana laxiflora,844983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana laxiflora'],6,0,6.0 52482,1888,-1,,,,0.0,MS1_match,LUDMVJVLHCEECS-PXKJKYEHSA-N,"InChI=1S/C27H42O12/c1-14(2)8-20(30)38-22(16(5)6)24(32)35-11-18-12-36-25(39-21(31)9-15(3)4)23-26(18,33)10-19(29)27(23,34)13-37-17(7)28/h12,14-16,19,22-23,25,29,33-34H,8-11,13H2,1-7H3/t19-,22+,23-,25-,26-,27+/m0/s1",CC(=O)OC[C@]1(O)[C@H]2[C@H](OC(=O)CC(C)C)OC=C(COC(=O)[C@H](OC(=O)CC(C)C)C(C)C)[C@@]2(O)C[C@@H]1O,C27H42O12,pos_2_2proton2acetonitrile,558.267626784,LUDMVJVLHCEECS,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,0,6.0 52483,1888,-1,,,,0.0,MS1_match,LUDMVJVLHCEECS-UHFFFAOYSA-N,"InChI=1S/C27H42O12/c1-14(2)8-20(30)38-22(16(5)6)24(32)35-11-18-12-36-25(39-21(31)9-15(3)4)23-26(18,33)10-19(29)27(23,34)13-37-17(7)28/h12,14-16,19,22-23,25,29,33-34H,8-11,13H2,1-7H3",CC(=O)OCC1(O)C(O)CC2(O)C(COC(=O)C(OC(=O)CC(C)C)C(C)C)=COC(OC(=O)CC(C)C)C21,C27H42O12,pos_2_2proton2acetonitrile,558.267626784,LUDMVJVLHCEECS,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana,393345.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Unknown'],6,0,6.0 52484,1888,-1,,,,0.0,MS1_match,LUDMVJVLHCEECS-HXTWUXIJSA-N,"InChI=1S/C27H42O12/c1-14(2)8-20(30)38-22(16(5)6)24(32)35-11-18-12-36-25(39-21(31)9-15(3)4)23-26(18,33)10-19(29)27(23,34)13-37-17(7)28/h12,14-16,19,22-23,25,29,33-34H,8-11,13H2,1-7H3/t19-,22-,23-,25-,26-,27-/m0/s1",CC(=O)OC[C@@]1(O)[C@H]2[C@H](OC(=O)CC(C)C)OC=C(COC(=O)[C@@H](OC(=O)CC(C)C)C(C)C)[C@@]2(O)C[C@@H]1O,C27H42O12,pos_2_2proton2acetonitrile,558.267626784,LUDMVJVLHCEECS,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 52374,1885,-1,,,,0.0,MS1_match,WLYRYWQOUXKANL-JMJQRBITSA-N,"InChI=1S/C11H18O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h5,8-9H,4,6-7H2,1-3H3/b9-8-,10-5+",C/C=C(\C)C(=O)O/C=C\CCCC,C11H18O2,pos_2MH,182.130679816,WLYRYWQOUXKANL,,,,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 52375,1885,-1,,,,0.0,MS1_match,JNWQKXUWZWKUAY-JQEGGOPCSA-N,"InChI=1S/C11H18O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h5-7H,4,8-9H2,1-3H3/b7-6-,10-5+",C/C=C(\C)C(=O)OCC/C=C\CC,C11H18O2,pos_2MH,182.130679816,JNWQKXUWZWKUAY,Fatty acids,Fatty esters,Wax monoesters,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 52373,1884,-1,,,,0.0,MS1_match,FNYPZWBJPFEVFN-YLCGFITOSA-N,"InChI=1S/C23H29NO10/c1-2-14-15(6-5-13-4-3-7-24(10-13)8-9-25)16(21(30)31)12-32-22(14)34-23-20(29)19(28)18(27)17(11-26)33-23/h2-7,10,12,14-15,17-20,22-23,25-29H,1,8-9,11H2/b6-5+/t14-,15+,17-,18-,19+,20-,22+,23+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)[O-])[C@H]1/C=C/c1ccc[n+](CCO)c1,C23H29NO10,pos_2_2proton1ammonium,479.179146128,FNYPZWBJPFEVFN,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 52296,1882,-1,,,,0.56785864,ISDB,VOXZDWNPVJITMN-PNKHAZJDSA-N,"InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15+,16+,17-,18-/m0/s1",C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@H]3[C@H]1CC[C@@H]2O,C18H24O2,,272.177630008,VOXZDWNPVJITMN,Terpenoids,Steroids,Estrane steroids,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],4,0,6.271434545516968 52297,1882,-1,,,,0.56785864,ISDB,VOXZDWNPVJITMN-ZBRFXRBCSA-N,"InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1",C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O,C18H24O2,,272.177630008,VOXZDWNPVJITMN,Terpenoids,Steroids,Estrane steroids,Iryanthera lancifolia,111996.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Myristicaceae'],['Unknown'],['Iryanthera'],['Iryanthera lancifolia'],4,0,6.271434545516968 52298,1882,-1,,,,0.56785864,ISDB,VOXZDWNPVJITMN-WKUFJEKOSA-N,"InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17?,18+/m1/s1",C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2O,C18H24O2,,272.177630008,VOXZDWNPVJITMN,Terpenoids,Steroids,Estrane steroids,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],4,0,6.271434545516968 52299,1882,-1,,,,0.56785864,ISDB,VOXZDWNPVJITMN-ZBRFXRBCSA-N,"InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1",C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O,C18H24O2,,272.177630008,VOXZDWNPVJITMN,Terpenoids,Steroids,Estrane steroids,Onobrychis ebenoides,3922571.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Hedysareae'],['Onobrychis'],['Onobrychis ebenoides'],4,0,6.271434545516968 52300,1882,-1,,,,0.56785864,ISDB,VOXZDWNPVJITMN-ZBRFXRBCSA-N,"InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1",C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O,C18H24O2,,272.177630008,VOXZDWNPVJITMN,Terpenoids,Steroids,Estrane steroids,Solanum glaucophyllum,326639.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum glaucophyllum'],4,0,6.271434545516968 52301,1882,-1,,,,0.56785864,ISDB,VOXZDWNPVJITMN-ZBRFXRBCSA-N,"InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1",C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O,C18H24O2,,272.177630008,VOXZDWNPVJITMN,Terpenoids,Steroids,Estrane steroids,Dalbergia sissoo,93966.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Dalbergieae'],['Dalbergia'],['Dalbergia sissoo'],4,0,6.271434545516968 52302,1882,-1,,,,0.56785864,ISDB,VOXZDWNPVJITMN-UHFFFAOYSA-N,"InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3",CC12CCC3c4ccc(O)cc4CCC3C1CCC2O,C18H24O2,,272.177630008,VOXZDWNPVJITMN,Terpenoids,Steroids,Estrane steroids,Punica granatum,646814.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Lythraceae'],['Unknown'],['Punica'],['Punica granatum'],4,0,6.271434545516968 52292,1881,-1,,,,0.0,MS1_match,UYNCCRHOWNHDMT-QFTNYOKLSA-N,"InChI=1S/C31H34O11/c1-37-23-12-18(7-8-22(23)35)28(36)27(16-34)41-31-25(39-3)13-19(14-26(31)40-4)29-21(15-33)20-10-17(6-5-9-32)11-24(38-2)30(20)42-29/h5-14,21,27-29,33-36H,15-16H2,1-4H3/b6-5+/t21-,27+,28-,29+/m1/s1",COc1cc([C@@H](O)[C@H](CO)Oc2c(OC)cc([C@@H]3Oc4c(OC)cc(/C=C/C=O)cc4[C@H]3CO)cc2OC)ccc1O,C31H34O11,pos_1_sodium,582.210111908,UYNCCRHOWNHDMT,Shikimates and Phenylpropanoids,Lignans,Neolignans,Lonicera morrowii,484242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],7,0,7.0 52293,1881,-1,,,,0.0,MS1_match,UYNCCRHOWNHDMT-QFTNYOKLSA-N,"InChI=1S/C31H34O11/c1-37-23-12-18(7-8-22(23)35)28(36)27(16-34)41-31-25(39-3)13-19(14-26(31)40-4)29-21(15-33)20-10-17(6-5-9-32)11-24(38-2)30(20)42-29/h5-14,21,27-29,33-36H,15-16H2,1-4H3/b6-5+/t21-,27+,28-,29+/m1/s1",COc1cc([C@@H](O)[C@H](CO)Oc2c(OC)cc([C@@H]3Oc4c(OC)cc(/C=C/C=O)cc4[C@H]3CO)cc2OC)ccc1O,C31H34O11,pos_1_sodium,582.210111908,UYNCCRHOWNHDMT,Shikimates and Phenylpropanoids,Lignans,Neolignans,Lonicera insularis,5746388.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera insularis'],7,0,7.0 52294,1881,-1,,,,0.0,MS1_match,UYNCCRHOWNHDMT-QFTNYOKLSA-N,"InChI=1S/C31H34O11/c1-37-23-12-18(7-8-22(23)35)28(36)27(16-34)41-31-25(39-3)13-19(14-26(31)40-4)29-21(15-33)20-10-17(6-5-9-32)11-24(38-2)30(20)42-29/h5-14,21,27-29,33-36H,15-16H2,1-4H3/b6-5+/t21-,27+,28-,29+/m1/s1",COc1cc([C@@H](O)[C@H](CO)Oc2c(OC)cc([C@@H]3Oc4c(OC)cc(/C=C/C=O)cc4[C@H]3CO)cc2OC)ccc1O,C31H34O11,pos_1_sodium,582.210111908,UYNCCRHOWNHDMT,Shikimates and Phenylpropanoids,Lignans,Neolignans,Lonicera morrowii,484242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],7,0,7.0 52295,1881,-1,,,,0.0,MS1_match,UYNCCRHOWNHDMT-QFTNYOKLSA-N,"InChI=1S/C31H34O11/c1-37-23-12-18(7-8-22(23)35)28(36)27(16-34)41-31-25(39-3)13-19(14-26(31)40-4)29-21(15-33)20-10-17(6-5-9-32)11-24(38-2)30(20)42-29/h5-14,21,27-29,33-36H,15-16H2,1-4H3/b6-5+/t21-,27+,28-,29+/m1/s1",COc1cc([C@@H](O)[C@H](CO)Oc2c(OC)cc([C@@H]3Oc4c(OC)cc(/C=C/C=O)cc4[C@H]3CO)cc2OC)ccc1O,C31H34O11,pos_1_sodium,582.210111908,UYNCCRHOWNHDMT,Shikimates and Phenylpropanoids,Lignans,Neolignans,Lonicera insularis,5746388.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera insularis'],7,0,7.0 52277,1879,264,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.2785375,ISDB,KQQJHYGPRJWZEY-LDICSKNTSA-N,"InChI=1S/C14H18O4/c1-7-6-12-11(8(2)14(17)18-12)5-4-10(7)13(16)9(3)15/h4,7,11-13,16H,2,5-6H2,1,3H3/t7-,11+,12+,13-/m0/s1",C=C1C(=O)O[C@@H]2C[C@H](C)C([C@@H](O)C(C)=O)=CC[C@H]12,C14H18O4,,250.120509056,KQQJHYGPRJWZEY,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Dittrichia graveolens,3899100.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Dittrichia'],['Dittrichia graveolens'],4,3,6.614150047302246 52265,1878,339,Fatty acids,Octadecanoids,Other Octadecanoids,0.3362771,ISDB,LFTUCYCUYUJMJB-UHFFFAOYSA-N,"InChI=1S/C18H28O5/c19-14-10-9-12-17(21)15-16(20)11-7-5-3-1-2-4-6-8-13-18(22)23/h5,7,9,12,15,19,21H,1-4,6,8,10-11,13-14H2,(H,22,23)",O=C(O)CCCCCCCC=CCC(=O)C=C(O)C=CCCO,C18H28O5,,324.193673996,LFTUCYCUYUJMJB,Fatty acids,Octadecanoids,Other Octadecanoids,Cantharellus cibarius,321275.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Agaricomycetes'],['Cantharellales'],['Cantharellaceae'],['Unknown'],['Cantharellus'],['Cantharellus cibarius'],1,3,3.845108389854431 52266,1878,339,Fatty acids,Octadecanoids,Other Octadecanoids,0.3362771,ISDB,LFTUCYCUYUJMJB-YXCOHMLOSA-N,"InChI=1S/C18H28O5/c19-14-10-9-12-17(21)15-16(20)11-7-5-3-1-2-4-6-8-13-18(22)23/h5,7,9,12,15,19,21H,1-4,6,8,10-11,13-14H2,(H,22,23)/b7-5-,12-9+,17-15-",O=C(O)CCCCCCC/C=C\CC(=O)/C=C(O)/C=C/CCO,C18H28O5,,324.193673996,LFTUCYCUYUJMJB,Fatty acids,Octadecanoids,Other Octadecanoids,Craterellus tubaeformis,183999.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Agaricomycetes'],['Cantharellales'],['Cantharellaceae'],['Unknown'],['Craterellus'],['Craterellus tubaeformis'],1,3,3.845108389854431 52245,1876,178,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.59111387,ISDB,IHEBZQKYPSMVBZ-UHFFFAOYSA-N,"InChI=1S/C10H8O2/c1-7-5-12-6-10-8(4-11)2-3-9(7)10/h2-6H,1H3",Cc1cocc2c(C=O)ccc1-2,C10H8O2,,160.052429496,IHEBZQKYPSMVBZ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Viburnum tinus,51742.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Adoxaceae'],['Unknown'],['Viburnum'],['Viburnum tinus'],5,0,7.364455461502075 52246,1876,178,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.59111387,ISDB,IHEBZQKYPSMVBZ-UHFFFAOYSA-N,"InChI=1S/C10H8O2/c1-7-5-12-6-10-8(4-11)2-3-9(7)10/h2-6H,1H3",Cc1cocc2c(C=O)ccc1-2,C10H8O2,,160.052429496,IHEBZQKYPSMVBZ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Viburnum opulus,117453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Adoxaceae'],['Unknown'],['Viburnum'],['Viburnum opulus'],5,0,7.364455461502075 52243,1872,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,FGUCOPALAZXICJ-HNNXBMFYSA-O,"InChI=1S/C21H25NO4/c1-22(2)7-6-12-10-18(25-4)21(26-5)20-14-11-17(24-3)16(23)9-13(14)8-15(22)19(12)20/h9-11,15H,6-8H2,1-5H3/p+1/t15-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(OC)c3-2)CC[N+]1(C)C,C21H26NO4+,pos_1_1proton2acetonitrile,356.1856347320899,FGUCOPALAZXICJ,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Thalictrum foliolosum,124406.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum foliolosum'],6,0,6.0 52152,1865,-1,,,,0.0,MS1_match,KLQIXIQHWLZXBE-CWDKFGSUSA-N,"InChI=1S/C23H30O8/c1-6-14(4)8-20(26)30-18-9-17-16(10-27-15(5)24)11-28-22(21(17)23(18)12-29-23)31-19(25)7-13(2)3/h7,9,11,14,18,21-22H,6,8,10,12H2,1-5H3/t14-,18-,21+,22-,23+/m0/s1",CC[C@H](C)CC(=O)O[C@H]1C=C2C(COC(C)=O)=CO[C@@H](OC(=O)C=C(C)C)[C@@H]2[C@@]12CO2,C23H30O8,pos_2_2proton2acetonitrile,434.19406792,KLQIXIQHWLZXBE,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana sorbifolia,445623.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana sorbifolia'],6,0,6.0 52149,1864,-1,,,,0.0,MS1_match,HMTVXYYWICMXMY-YSVDCJIHSA-N,"InChI=1S/C15H26O3/c1-8-5-11(16)13-9(8)6-10-12(17)7-15(13,4)18-14(10,2)3/h8-13,16-17H,5-7H2,1-4H3/t8-,9-,10+,11-,12+,13+,15+/m1/s1",C[C@@H]1C[C@@H](O)[C@@H]2[C@@H]1C[C@H]1[C@@H](O)C[C@]2(C)OC1(C)C,C15H26O3,pos_1_1proton1methanol,254.188194692,HMTVXYYWICMXMY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 52150,1864,-1,,,,0.0,MS1_match,HMTVXYYWICMXMY-YSVDCJIHSA-N,"InChI=1S/C15H26O3/c1-8-5-11(16)13-9(8)6-10-12(17)7-15(13,4)18-14(10,2)3/h8-13,16-17H,5-7H2,1-4H3/t8-,9-,10+,11-,12+,13+,15+/m1/s1",C[C@@H]1C[C@@H](O)[C@@H]2[C@@H]1C[C@H]1[C@@H](O)C[C@]2(C)OC1(C)C,C15H26O3,pos_1_1proton1methanol,254.188194692,HMTVXYYWICMXMY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Valeriana fauriei,228778.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana fauriei'],6,0,6.0 52151,1864,-1,,,,0.0,MS1_match,QDZQKRSRABUOAX-OBRUSBNWSA-N,"InChI=1S/C15H26O3/c1-12(2)10-5-7-13(3)8-6-11(16)14(4,17)15(13,9-10)18-12/h10-11,16-17H,5-9H2,1-4H3/t10-,11+,13-,14-,15-/m1/s1",CC1(C)O[C@]23C[C@H]1CC[C@]2(C)CC[C@H](O)[C@@]3(C)O,C15H26O3,pos_1_1proton1methanol,254.188194692,QDZQKRSRABUOAX,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Maytenus boaria,418513.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Maytenus'],['Maytenus boaria'],6,0,6.0 52146,1860,1616,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,CXQAPRGJWIADOG-IJKFALPUSA-N,"InChI=1S/C26H33NO7/c1-11-6-24-9-16-19-23(5)7-15(32-12(2)28)8-25(19)20(24)18(33-13(3)29)17(11)21(34-14(4)30)26(24,31)22(25)27(16)10-23/h15-22,31H,1,6-10H2,2-5H3/t15-,16-,17+,18+,19+,20+,21-,22-,23-,24+,25-,26-/m0/s1",C=C1C[C@@]23C[C@H]4[C@@H]5[C@@]6(C)C[C@H](OC(C)=O)C[C@@]57[C@@H]2[C@H](OC(C)=O)[C@@H]1[C@H](OC(C)=O)[C@]3(O)[C@H]7N4C6,C26H33NO7,pos_2_2proton1acetonitrile,471.225702396,CXQAPRGJWIADOG,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum coreanum,377294.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum coreanum'],6,3,7.5 52136,1857,-1,,,,0.23041746,ISDB,RVUOLUXECYIMSX-ZCYQVOJMSA-N,"InChI=1S/C29H50O6/c1-4-5-6-8-11-15-23(2)16-12-9-7-10-13-18-25(30)22-28(32)35-19-14-17-24-20-26(31)29(33)27(21-24)34-3/h20-21,23,25,30-31,33H,4-19,22H2,1-3H3/t23-,25-/m0/s1",CCCCCCC[C@H](C)CCCCCCC[C@H](O)CC(=O)OCCCc1cc(O)c(O)c(OC)c1,C29H50O6,,494.36073932,RVUOLUXECYIMSX,,,,Lasiolaena morii,5920860.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Lasiolaena'],['Lasiolaena morii'],4,0,4.921669840812683 52128,1854,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.87334603,ISDB,MDAXYSXRAMOWLY-UHFFFAOYSA-N,"InChI=1S/C12H16/c1-9-7-10(2)12-6-4-3-5-11(12)8-9/h7-8H,3-6H2,1-2H3",Cc1cc(C)c2c(c1)CCCC2,C12H16,,160.125200512,MDAXYSXRAMOWLY,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Camellia sinensis,1058509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Theaceae'],['Unknown'],['Camellia'],['Camellia sinensis'],4,3,8.99338412284851 52127,1849,211,Terpenoids,Phenylpropanoids (C6-C3),Aristolane sesquiterpenoids,0.20558964,ISDB,,,,,,,QZBAPOXIHSUTHJ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.8223585486412048 52096,1846,-1,,,,0.0,MS1_match,DYFUVQSGLMQLRX-ALBXZGMBSA-N,"InChI=1S/C36H56O10/c1-31(2)13-15-36(30(43)44)16-14-34(5)19(20(36)17-31)7-8-22-32(3)11-10-23(33(4,18-37)21(32)9-12-35(22,34)6)45-29-26(40)24(38)25(39)27(46-29)28(41)42/h7,20-27,29,37-40H,8-18H2,1-6H3,(H,41,42)(H,43,44)/t20-,21+,22+,23-,24-,25-,26+,27-,29+,32-,33-,34+,35+,36-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C36H56O10,pos_2_2proton,648.387347992,DYFUVQSGLMQLRX,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lonicera nigra,179065.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera nigra'],7,0,7.0 52097,1846,-1,,,,0.0,MS1_match,DYFUVQSGLMQLRX-ALBXZGMBSA-N,"InChI=1S/C36H56O10/c1-31(2)13-15-36(30(43)44)16-14-34(5)19(20(36)17-31)7-8-22-32(3)11-10-23(33(4,18-37)21(32)9-12-35(22,34)6)45-29-26(40)24(38)25(39)27(46-29)28(41)42/h7,20-27,29,37-40H,8-18H2,1-6H3,(H,41,42)(H,43,44)/t20-,21+,22+,23-,24-,25-,26+,27-,29+,32-,33-,34+,35+,36-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C36H56O10,pos_2_2proton,648.387347992,DYFUVQSGLMQLRX,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lonicera nigra,179065.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera nigra'],7,0,7.0 52095,1842,-1,,,,0.22404444,ISDB,,,,,,,OZVSZAQHQAHZNC,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.8961777687072754 51991,1840,15,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,0.30670404,ISDB,OUWXZGMEFZQYEK-WQLSENKSSA-N,"InChI=1S/C16H24O2/c1-9-5-6-13(8-12(4)16(17)18)15-11(3)7-10(2)14(9)15/h8-10,13-14H,5-7H2,1-4H3,(H,17,18)/b12-8-",CC1=C2C(/C=C(/C)C(=O)O)CCC(C)C2C(C)C1,C16H24O2,,248.177630008,OUWXZGMEFZQYEK,Terpenoids,Sesquiterpenoids,Valerenane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,2,8.226816177368164 51984,1837,-1,,,,0.73560566,ISDB,QFCXPIZNNLLXTL-ZPHSHJAVSA-N,"InChI=1S/C20H33NO2/c1-4-5-6-7-8-9-11-18-12-10-13-19-14-15-20(23-17(3)22)16(2)21(18)19/h7-9,11,16,18-20H,4-6,10,12-15H2,1-3H3/b8-7+,11-9+/t16-,18+,19-,20+/m0/s1",CCCC/C=C/C=C/[C@@H]1CCC[C@H]2CC[C@@H](OC(C)=O)[C@H](C)N21,C20H33NO2,,319.251129296,QFCXPIZNNLLXTL,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Clavelina picta,372937.0,['Eukaryota'],['Metazoa'],['Chordata'],['Ascidiacea'],['Enterogona'],['Clavelinidae'],['Unknown'],['Clavelina'],['Clavelina picta'],1,0,3.94242262840271 51983,1835,-1,,,,0.0,MS1_match,IKIIZLYTISPENI-ZFORQUDYSA-N,"InChI=1S/C21H18O11/c22-9-6-10(8-4-2-1-3-5-8)30-11-7-12(14(23)15(24)13(9)11)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21,23-27H,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1",O=C(O)[C@H]1O[C@@H](Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c2O)[C@H](O)[C@@H](O)[C@@H]1O,C21H18O11,pos_1_1proton,446.084911396,IKIIZLYTISPENI,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Thalictrum baicalense,1045100.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum baicalense'],6,0,6.0 51976,1831,-1,,,,0.0,MS1_match,HSUIVCLOAAJSRE-UHFFFAOYSA-N,"InChI=1S/C14H18O6/c1-17-7-9-19-13(15)11-5-3-4-6-12(11)14(16)20-10-8-18-2/h3-6H,7-10H2,1-2H3",COCCOC(=O)c1ccccc1C(=O)OCCOC,C14H18O6,pos_2MHNH3,282.110338296,HSUIVCLOAAJSRE,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 51977,1831,-1,,,,0.0,MS1_match,NFUHNVZGHNEYRG-GKRKWVKGSA-N,"InChI=1S/C26H36O12/c1-34-18-11-15(6-7-16(18)29)22(30)20(12-27)37-17-8-5-14(10-19(17)35-2)4-3-9-36-26-25(33)24(32)23(31)21(13-28)38-26/h5-8,10-11,20-33H,3-4,9,12-13H2,1-2H3/t20-,21-,22+,23-,24+,25-,26-/m1/s1",COc1cc([C@H](O)[C@@H](CO)Oc2ccc(CCCO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2OC)ccc1O,C26H36O12,pos_1_1proton1acetonitrile,540.2206765919998,NFUHNVZGHNEYRG,Shikimates and Phenylpropanoids,Lignans,Neolignans,Lonicera gracilipes,920854.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera gracilipes'],7,0,7.0 51978,1831,-1,,,,0.0,MS1_match,NFUHNVZGHNEYRG-GKRKWVKGSA-N,"InChI=1S/C26H36O12/c1-34-18-11-15(6-7-16(18)29)22(30)20(12-27)37-17-8-5-14(10-19(17)35-2)4-3-9-36-26-25(33)24(32)23(31)21(13-28)38-26/h5-8,10-11,20-33H,3-4,9,12-13H2,1-2H3/t20-,21-,22+,23-,24+,25-,26-/m1/s1",COc1cc([C@H](O)[C@@H](CO)Oc2ccc(CCCO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2OC)ccc1O,C26H36O12,pos_1_1proton1acetonitrile,540.2206765919998,NFUHNVZGHNEYRG,Shikimates and Phenylpropanoids,Lignans,Neolignans,Lonicera gracilipes,920854.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera gracilipes'],7,0,7.0 51979,1831,-1,,,,0.0,MS1_match,VHHJRIJKJTYYIZ-GKRKWVKGSA-N,"InChI=1S/C26H36O12/c1-34-18-10-14(4-3-9-27)5-7-16(18)36-20(12-28)22(30)15-6-8-17(19(11-15)35-2)37-26-25(33)24(32)23(31)21(13-29)38-26/h5-8,10-11,20-33H,3-4,9,12-13H2,1-2H3/t20-,21-,22+,23-,24+,25-,26-/m1/s1",COc1cc([C@H](O)[C@@H](CO)Oc2ccc(CCCO)cc2OC)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C26H36O12,pos_1_1proton1acetonitrile,540.220676592,VHHJRIJKJTYYIZ,Shikimates and Phenylpropanoids,Lignans,Neolignans,Lonicera gracilipes,920854.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera gracilipes'],7,0,7.0 51980,1831,-1,,,,0.0,MS1_match,HZYWTYSKPVTFNA-URGBZLTBSA-N,"InChI=1S/C26H36O12/c1-34-18-11-15(6-7-16(18)30)25(38-26-24(33)23(32)22(31)20(12-28)37-26)21(13-29)36-17-8-5-14(4-3-9-27)10-19(17)35-2/h5-8,10-11,20-33H,3-4,9,12-13H2,1-2H3/t20-,21+,22-,23+,24-,25+,26+/m1/s1",COc1cc([C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](CO)Oc2ccc(CCCO)cc2OC)ccc1O,C26H36O12,pos_1_1proton1acetonitrile,540.220676592,HZYWTYSKPVTFNA,Shikimates and Phenylpropanoids,Lignans,Neolignans,Lonicera gracilipes,920854.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera gracilipes'],7,0,7.0 51952,1829,15,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,0.9111642,ISDB,PHHDVGGCTAPBHF-UHFFFAOYSA-N,"InChI=1S/C15H20O3/c1-3-4-5-6-13(16)9-7-12-8-10-14(17)15(11-12)18-2/h5-6,8,10-11,17H,3-4,7,9H2,1-2H3",CCCC=CC(=O)CCc1ccc(O)c(OC)c1,C15H20O3,,248.1412445,PHHDVGGCTAPBHF,,,,Zingiber officinale,1063866.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Zingiber'],['Zingiber officinale'],4,0,7.6446568965911865 51926,1826,200,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.7311604,ISDB,OEJYWQCXHNOOHC-ZXEGGCGDSA-N,"InChI=1S/C24H48NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(27)32-23(21-26)22-31-33(28,29)30-20-19-25(2,3)4/h10-11,23,26H,5-9,12-22H2,1-4H3/b11-10-/t23-/m1/s1",CCCCCC/C=C\CCCCCCCC(=O)O[C@H](CO)COP(=O)([O-])OCC[N+](C)(C)C,C24H48NO7P,,493.316839506,OEJYWQCXHNOOHC,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Drosophila melanogaster,505714.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Diptera'],['Drosophilidae'],['Drosophilini'],['Drosophila'],['Drosophila melanogaster'],1,3,5.4246416091918945 51927,1826,200,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.7311604,ISDB,OEJYWQCXHNOOHC-ZXEGGCGDSA-N,"InChI=1S/C24H48NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(27)32-23(21-26)22-31-33(28,29)30-20-19-25(2,3)4/h10-11,23,26H,5-9,12-22H2,1-4H3/b11-10-/t23-/m1/s1",CCCCCC/C=C\CCCCCCCC(=O)O[C@H](CO)COP(=O)([O-])OCC[N+](C)(C)C,C24H48NO7P,,493.316839506,OEJYWQCXHNOOHC,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Saccharomyces cerevisiae,356221.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Unknown'],['Saccharomycetales'],['Saccharomycetaceae'],['Unknown'],['Saccharomyces'],['Saccharomyces cerevisiae'],1,3,5.4246416091918945 51923,1825,-1,,,,0.0,MS1_match,KOWMJRJXZMEZLD-HCIHMXRSSA-N,"InChI=1S/C22H26O8/c1-25-15-5-11(6-16(26-2)19(15)23)21-13-9-30-22(14(13)10-29-21)12-7-17(27-3)20(24)18(8-12)28-4/h5-8,13-14,21-24H,9-10H2,1-4H3/t13-,14-,21+,22+/m0/s1",COc1cc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2cc(OC)c(O)c(OC)c2)cc(OC)c1O,C22H26O8,pos_1_sodium,418.162767792,KOWMJRJXZMEZLD,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Clematis chinensis,841986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis chinensis'],8,0,8.0 51924,1825,-1,,,,0.0,MS1_match,KOWMJRJXZMEZLD-HCIHMXRSSA-N,"InChI=1S/C22H26O8/c1-25-15-5-11(6-16(26-2)19(15)23)21-13-9-30-22(14(13)10-29-21)12-7-17(27-3)20(24)18(8-12)28-4/h5-8,13-14,21-24H,9-10H2,1-4H3/t13-,14-,21+,22+/m0/s1",COc1cc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2cc(OC)c(O)c(OC)c2)cc(OC)c1O,C22H26O8,pos_1_sodium,418.162767792,KOWMJRJXZMEZLD,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Clematis chinensis,841986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis chinensis'],8,0,8.0 51895,1824,119,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,QIQXTHQIDYTFRH-UHFFFAOYSA-N,"InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)",CCCCCCCCCCCCCCCCCC(=O)O,C18H36O2,pos_1_1proton1acetonitrile,284.271530392,QIQXTHQIDYTFRH,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Symphoricarpos albus,717590.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Symphoricarpos'],['Symphoricarpos albus'],6,3,7.5 51847,1816,532,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,0.0,MS1_match,JIACKIXQFVBLBK-NPPFBWRTSA-N,"InChI=1S/C22H34O3/c1-13(2)19-16(24-6)12-15-14(20(19)25-7)8-9-17-21(3,4)18(23)10-11-22(15,17)5/h12-13,17-18,23H,8-11H2,1-7H3/t17-,18-,22+/m0/s1",COc1cc2c(c(OC)c1C(C)C)CC[C@H]1C(C)(C)[C@@H](O)CC[C@]21C,C22H34O3,pos_1_1proton1methanol,346.250794948,JIACKIXQFVBLBK,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Tripterygium hypoglaucum,906992.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium hypoglaucum'],6,2,7.0 51848,1816,532,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,0.0,MS1_match,JIACKIXQFVBLBK-NPPFBWRTSA-N,"InChI=1S/C22H34O3/c1-13(2)19-16(24-6)12-15-14(20(19)25-7)8-9-17-21(3,4)18(23)10-11-22(15,17)5/h12-13,17-18,23H,8-11H2,1-7H3/t17-,18-,22+/m0/s1",COc1cc2c(c(OC)c1C(C)C)CC[C@H]1C(C)(C)[C@@H](O)CC[C@]21C,C22H34O3,pos_1_1proton1methanol,346.250794948,JIACKIXQFVBLBK,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Tripterygium wilfordii,300831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium wilfordii'],6,2,7.0 51844,1815,-1,,,,0.0,MS1_match,XNBHVNRFMHXLMZ-ODLFONTESA-N,"InChI=1S/C20H32O6/c1-11(2)6-17(22)24-9-14-10-25-20(26-18(23)7-12(3)4)19-13(5)16(21)8-15(14)19/h10-13,15-16,19-21H,6-9H2,1-5H3/t13-,15+,16-,19+,20-/m0/s1",CC(C)CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@H](C)[C@@H](O)C[C@H]12,C20H32O6,pos_1_1proton1methanol,368.219888744,XNBHVNRFMHXLMZ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana microphylla,21453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana microphylla'],6,0,6.0 51845,1815,-1,,,,0.0,MS1_match,XNBHVNRFMHXLMZ-ODLFONTESA-N,"InChI=1S/C20H32O6/c1-11(2)6-17(22)24-9-14-10-25-20(26-18(23)7-12(3)4)19-13(5)16(21)8-15(14)19/h10-13,15-16,19-21H,6-9H2,1-5H3/t13-,15+,16-,19+,20-/m0/s1",CC(C)CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@H](C)[C@@H](O)C[C@H]12,C20H32O6,pos_1_1proton1methanol,368.219888744,XNBHVNRFMHXLMZ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia saniculifolia,139326.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia saniculifolia'],6,0,6.0 51846,1815,-1,,,,0.0,MS1_match,XNBHVNRFMHXLMZ-FJSYSMJUSA-N,"InChI=1S/C20H32O6/c1-11(2)6-17(22)24-9-14-10-25-20(26-18(23)7-12(3)4)19-13(5)16(21)8-15(14)19/h10-13,15-16,19-21H,6-9H2,1-5H3/t13-,15+,16-,19-,20-/m0/s1",CC(C)CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2[C@@H](C)[C@@H](O)C[C@H]12,C20H32O6,pos_1_1proton1methanol,368.219888744,XNBHVNRFMHXLMZ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Nardostachys jatamansi,24101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Nardostachys'],['Nardostachys jatamansi'],6,0,6.0 51834,1814,-1,,,,0.0,MS1_match,FMRHJJZUHUTGKE-UHFFFAOYSA-N,"InChI=1S/C15H22O3/c1-3-5-8-12(4-2)11-18-15(17)13-9-6-7-10-14(13)16/h6-7,9-10,12,16H,3-5,8,11H2,1-2H3",CCCCC(CC)COC(=O)c1ccccc1O,C15H22O3,pos_1_1proton,250.156894564,FMRHJJZUHUTGKE,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 51770,1813,1376,Terpenoids,Steroids,Cholestane steroids,0.49433786,ISDB,NAPNLPVMHUZNFG-BHTYWNIDSA-N,"InChI=1S/C28H48O4/c1-16(2)17(3)7-12-28(6,32)25-23(31)15-21-24-20(9-11-27(21,25)5)26(4)10-8-19(29)13-18(26)14-22(24)30/h14,16-17,19-25,29-32H,7-13,15H2,1-6H3/t17-,19+,20+,21+,22-,23+,24-,25+,26+,27+,28+/m1/s1",CC(C)[C@H](C)CC[C@](C)(O)[C@H]1[C@@H](O)C[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C,C28H48O4,,448.35526001599993,NAPNLPVMHUZNFG,Terpenoids,Steroids,Cholestane steroids,Melia azedarach,916052.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Melia'],['Melia azedarach'],4,3,7.477351427078247 51767,1810,116,Alkaloids,Ornithine alkaloids,Polyamines,0.6065139,ISDB,,,,,,,VWGZHNDNCJLJRW,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.426055669784546 51465,1808,-1,,,,0.5283866,ISDB,GWCSSLSMGCFIFR-GWKPYITFSA-N,"InChI=1S/C20H20O6/c1-24-17-10-13(5-6-16(17)23)19-15(11-22)14-8-12(4-3-7-21)9-18(25-2)20(14)26-19/h3-10,15,19,22-23H,11H2,1-2H3/b4-3+/t15-,19+/m1/s1",COc1cc([C@@H]2Oc3c(OC)cc(/C=C/C=O)cc3[C@H]2CO)ccc1O,C20H20O6,,356.12598835999995,GWCSSLSMGCFIFR,Shikimates and Phenylpropanoids,Lignans,Neolignans,Lonicera insularis,5746388.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera insularis'],7,0,9.113546371459961 51466,1808,-1,,,,0.5283866,ISDB,GWCSSLSMGCFIFR-GWKPYITFSA-N,"InChI=1S/C20H20O6/c1-24-17-10-13(5-6-16(17)23)19-15(11-22)14-8-12(4-3-7-21)9-18(25-2)20(14)26-19/h3-10,15,19,22-23H,11H2,1-2H3/b4-3+/t15-,19+/m1/s1",COc1cc([C@@H]2Oc3c(OC)cc(/C=C/C=O)cc3[C@H]2CO)ccc1O,C20H20O6,,356.12598835999995,GWCSSLSMGCFIFR,Shikimates and Phenylpropanoids,Lignans,Neolignans,Lonicera morrowii,484242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],7,0,9.113546371459961 51463,1802,-1,,,,0.0,MS1_match,BRPXPVJDVKIHQK-UHFFFAOYSA-N,"InChI=1S/C39H42N2O7/c1-25(2)30-16-17-39(24-45-35(42)27-10-6-5-7-11-27)33(47-37(44)29-13-9-19-41-23-29)20-26(3)14-15-32-38(4,48-32)21-31(34(30)39)46-36(43)28-12-8-18-40-22-28/h5-13,18-20,22-23,31-34H,14-17,21,24H2,1-4H3",CC1=CC(OC(=O)c2cccnc2)C2(COC(=O)c3ccccc3)CCC(=C(C)C)C2C(OC(=O)c2cccnc2)CC2(C)OC2CC1,C39H42N2O7,pos_1_1proton2acetonitrile,650.299201684,BRPXPVJDVKIHQK,Terpenoids,Diterpenoids,,Nigella sativa,142360.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Nigelleae'],['Nigella'],['Nigella sativa'],6,0,6.0 51464,1802,-1,,,,0.0,MS1_match,LRVALJHYZOUSDW-KYJUHHDHSA-N,"InChI=1S/C39H42N2O7/c1-40-13-11-23-17-31(42-2)34-20-28(23)29(40)15-22-7-9-26(10-8-22)47-33-18-24-16-30-35-27(12-14-41(30)21-25(24)19-32(33)43-3)36(44-4)38(45-5)39(46-6)37(35)48-34/h7-10,17-20,29-30H,11-16,21H2,1-6H3/t29-,30-/m0/s1",COc1cc2c3cc1Oc1ccc(cc1)C[C@H]1c4cc(c(OC)cc4CCN1C)Oc1c(OC)c(OC)c(OC)c4c1[C@H](C3)N(CC4)C2,C39H42N2O7,pos_1_1proton2acetonitrile,650.299201684,LRVALJHYZOUSDW,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Thalictrum longistylum,6133329.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum longistylum'],6,0,6.0 51457,1801,-1,,,,0.39465997,ISDB,RLICNSMALRTYLN-UHFFFAOYSA-N,"InChI=1S/C37H64O6/c1-3-4-5-16-20-31(38)21-18-23-33(39)34-26-27-36(43-34)35-25-24-32(42-35)22-17-14-12-10-8-6-7-9-11-13-15-19-30-28-29(2)41-37(30)40/h28-29,32-36,39H,3-27H2,1-2H3",CCCCCCC(=O)CCCC(O)C1CCC(C2CCC(CCCCCCCCCCCCCC3=CC(C)OC3=O)O2)O1,C37H64O6,,604.470289768,RLICNSMALRTYLN,Polyketides,Linear polyketides,Acetogenins,Uvaria narum,3867752.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Uvarieae'],['Uvaria'],['Uvaria narum'],4,0,5.57863986492157 51458,1801,-1,,,,0.39465997,ISDB,RLICNSMALRTYLN-UHFFFAOYSA-N,"InChI=1S/C37H64O6/c1-3-4-5-16-20-31(38)21-18-23-33(39)34-26-27-36(43-34)35-25-24-32(42-35)22-17-14-12-10-8-6-7-9-11-13-15-19-30-28-29(2)41-37(30)40/h28-29,32-36,39H,3-27H2,1-2H3",CCCCCCC(=O)CCCC(O)C1CCC(C2CCC(CCCCCCCCCCCCCC3=CC(C)OC3=O)O2)O1,C37H64O6,,604.470289768,RLICNSMALRTYLN,Polyketides,Linear polyketides,Acetogenins,Uvaria concava,292799.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Uvarieae'],['Uvaria'],['Uvaria concava'],4,0,5.57863986492157 51459,1801,-1,,,,0.39465997,ISDB,RLICNSMALRTYLN-UHFFFAOYSA-N,"InChI=1S/C37H64O6/c1-3-4-5-16-20-31(38)21-18-23-33(39)34-26-27-36(43-34)35-25-24-32(42-35)22-17-14-12-10-8-6-7-9-11-13-15-19-30-28-29(2)41-37(30)40/h28-29,32-36,39H,3-27H2,1-2H3",CCCCCCC(=O)CCCC(O)C1CCC(C2CCC(CCCCCCCCCCCCCC3=CC(C)OC3=O)O2)O1,C37H64O6,,604.470289768,RLICNSMALRTYLN,Polyketides,Linear polyketides,Acetogenins,Uvaria hookeri,3867838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Uvarieae'],['Uvaria'],['Uvaria hookeri'],4,0,5.57863986492157 51425,1800,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.6997379,ISDB,FIZZAWTVIDYQPI-TUAOUCFPSA-N,"InChI=1S/C12H18O/c1-9-5-3-4-6-11-10(9)7-8-12(11,2)13/h4,6,10-11,13H,1,3,5,7-8H2,2H3/t10-,11+,12-/m0/s1",C=C1CCC=C[C@@H]2[C@H]1CC[C@]2(C)O,C12H18O,,178.135765196,FIZZAWTVIDYQPI,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Dictamnus dasycarpus,651514.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Dictamnus'],['Dictamnus dasycarpus'],4,2,7.798951625823975 50726,1799,94,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.81806725,ISDB,HXQHFNIKBKZGRP-UHFFFAOYSA-N,"InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10,13-14H,2-5,8,11-12,15-17H2,1H3,(H,19,20)",CCCCCC=CCC=CCCC=CCCCC(=O)O,C18H30O2,,278.2245802,HXQHFNIKBKZGRP,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Teucrium cubense,3882648.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Teucrium'],['Teucrium cubense'],4,3,8.772269010543823 50727,1799,94,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.81806725,ISDB,HXQHFNIKBKZGRP-UHFFFAOYSA-N,"InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10,13-14H,2-5,8,11-12,15-17H2,1H3,(H,19,20)",CCCCCC=CCC=CCCC=CCCCC(=O)O,C18H30O2,,278.2245802,HXQHFNIKBKZGRP,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Teucrium depressum,3882648.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Teucrium'],['Teucrium cubense'],4,3,8.772269010543823 50638,1798,847,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,0.6661478,ISDB,DWGKMGKTDBRQJE-AFHBHXEDSA-N,"InChI=1S/C21H22O7/c1-23-16-5-11(3-4-15(16)22)19-13-8-26-20(14(13)9-25-19)12-6-17(24-2)21-18(7-12)27-10-28-21/h3-7,13-14,19-20,22H,8-10H2,1-2H3/t13-,14-,19+,20+/m0/s1",COc1cc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2cc(OC)c3c(c2)OCO3)ccc1O,C21H22O7,,386.136553044,DWGKMGKTDBRQJE,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Nectandra turbacensis,1081324.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Nectandra'],['Nectandra turbacensis'],4,3,8.164591312408447 50634,1796,-1,,,,0.0,MS1_match,VEDTYRJAYMXHSG-YGRZPYPDSA-N,"InChI=1S/C30H50O4/c1-25(17-31)15-20-19-7-8-22-27(3)11-10-23(33)28(4,18-32)21(27)9-12-30(22,6)29(19,5)14-13-26(20,2)24(34)16-25/h7,20-24,31-34H,8-18H2,1-6H3/t20-,21+,22+,23-,24+,25-,26+,27-,28+,29+,30+/m0/s1",C[C@@]1(CO)C[C@@H](O)[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H50O4,pos_1_1proton1ammonium,474.37091008,VEDTYRJAYMXHSG,Terpenoids,Triterpenoids,Oleanane triterpenoids,Delphinium barbeyi,591161.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium barbeyi'],6,0,6.0 50635,1796,-1,,,,0.0,MS1_match,VEDTYRJAYMXHSG-YGRZPYPDSA-N,"InChI=1S/C30H50O4/c1-25(17-31)15-20-19-7-8-22-27(3)11-10-23(33)28(4,18-32)21(27)9-12-30(22,6)29(19,5)14-13-26(20,2)24(34)16-25/h7,20-24,31-34H,8-18H2,1-6H3/t20-,21+,22+,23-,24+,25-,26+,27-,28+,29+,30+/m0/s1",C[C@@]1(CO)C[C@@H](O)[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H50O4,pos_1_1proton1ammonium,474.37091008,VEDTYRJAYMXHSG,Terpenoids,Triterpenoids,Oleanane triterpenoids,Delphinium barbeyi,591161.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium barbeyi'],6,0,6.0 50636,1796,-1,,,,0.0,MS1_match,SBMFUYVWTXYRCJ-WQANCUIESA-N,"InChI=1S/C30H50O4/c1-18(2)7-8-20(32)19(3)25-21(33)15-28(6)23-10-9-22-26(4,17-31)24(34)11-12-29(22)16-30(23,29)14-13-27(25,28)5/h7,19-25,31-34H,8-17H2,1-6H3/t19-,20+,21+,22+,23+,24+,25+,26+,27-,28+,29-,30+/m1/s1",CC(C)=CC[C@H](O)[C@@H](C)[C@H]1[C@@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@](C)(CO)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C,C30H50O4,pos_1_1proton1ammonium,474.37091008,SBMFUYVWTXYRCJ,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Thalictrum minus,491705.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum minus'],6,0,6.0 50637,1796,-1,,,,0.0,MS1_match,CDDWAYFUFNQLRZ-KJVHGCRFSA-N,"InChI=1S/C30H50O4/c1-25(2)16-19-18-8-9-21-27(4)12-11-22(32)28(5,17-31)20(27)10-13-30(21,7)29(18,6)15-14-26(19,3)24(34)23(25)33/h8,19-24,31-34H,9-17H2,1-7H3/t19-,20+,21+,22-,23-,24+,26+,27-,28+,29+,30+/m0/s1",CC1(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)[C@H](O)[C@@H]1O,C30H50O4,pos_1_1proton1ammonium,474.37091008,CDDWAYFUFNQLRZ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Delphinium barbeyi,591161.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium barbeyi'],6,0,6.0 50566,1790,1206,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,0.0,MS1_match,VGOHBZXHAWVRBT-UHFFFAOYSA-N,"InChI=1S/C17H24O3/c1-12(19)20-11-13-5-4-6-14(10-18)9-16-15(8-7-13)17(16,2)3/h5,9-10,15-16H,4,6-8,11H2,1-3H3",CC(=O)OCC1=CCCC(C=O)=CC2C(CC1)C2(C)C,C17H24O3,pos_1_1proton1methanol,276.172544628,VGOHBZXHAWVRBT,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,3,7.5 50567,1790,1206,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,0.0,MS1_match,BESWSXOVDJDSKQ-HUJQHWLQSA-N,"InChI=1S/C17H24O3/c1-11-6-5-7-13(19)8-9-14-16(17(14,3)4)15(10-11)20-12(2)18/h6,8-9,14-16H,5,7,10H2,1-4H3/b9-8-,11-6-/t14-,15+,16-/m0/s1",CC(=O)O[C@@H]1C/C(C)=C\CCC(=O)/C=C\[C@H]2[C@@H]1C2(C)C,C17H24O3,pos_1_1proton1methanol,276.172544628,BESWSXOVDJDSKQ,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,Valeriana fauriei,228778.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana fauriei'],6,3,7.5 50568,1790,1206,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,0.0,MS1_match,BESWSXOVDJDSKQ-HUJQHWLQSA-N,"InChI=1S/C17H24O3/c1-11-6-5-7-13(19)8-9-14-16(17(14,3)4)15(10-11)20-12(2)18/h6,8-9,14-16H,5,7,10H2,1-4H3/b9-8-,11-6-/t14-,15+,16-/m0/s1",CC(=O)O[C@@H]1C/C(C)=C\CCC(=O)/C=C\[C@H]2[C@@H]1C2(C)C,C17H24O3,pos_1_1proton1methanol,276.172544628,BESWSXOVDJDSKQ,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,3,7.5 50569,1790,1206,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,0.0,MS1_match,MQNYOYOQPDJLJV-PEXFBTPGSA-N,"InChI=1S/C17H24O3/c1-12(18)20-11-13-5-4-6-14(19)8-10-16-15(9-7-13)17(16,2)3/h5,8,10,15-16H,4,6-7,9,11H2,1-3H3/b10-8-,13-5+/t15-,16+/m1/s1",CC(=O)OC/C1=C/CCC(=O)/C=C\[C@H]2[C@@H](CC1)C2(C)C,C17H24O3,pos_1_1proton1methanol,276.172544628,MQNYOYOQPDJLJV,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,Valeriana fauriei,228778.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana fauriei'],6,3,7.5 50570,1790,1206,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,0.0,MS1_match,MQNYOYOQPDJLJV-PEXFBTPGSA-N,"InChI=1S/C17H24O3/c1-12(18)20-11-13-5-4-6-14(19)8-10-16-15(9-7-13)17(16,2)3/h5,8,10,15-16H,4,6-7,9,11H2,1-3H3/b10-8-,13-5+/t15-,16+/m1/s1",CC(=O)OC/C1=C/CCC(=O)/C=C\[C@H]2[C@@H](CC1)C2(C)C,C17H24O3,pos_1_1proton1methanol,276.172544628,MQNYOYOQPDJLJV,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,3,7.5 50571,1790,1206,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,0.0,MS1_match,VGOHBZXHAWVRBT-UHFFFAOYSA-N,"InChI=1S/C17H24O3/c1-12(19)20-11-13-5-4-6-14(10-18)9-16-15(8-7-13)17(16,2)3/h5,9-10,15-16H,4,6-8,11H2,1-3H3",CC(=O)OCC1=CCCC(C=O)=CC2C(CC1)C2(C)C,C17H24O3,pos_1_1proton1methanol,276.172544628,VGOHBZXHAWVRBT,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,Valeriana dageletiana,7625130.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana dageletiana'],6,3,7.5 50565,1789,340,Fatty acids,Fatty amides,Wax monoesters,0.21407393,ISDB,,,,,,,ZDQKGEKGLGASGB,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.8562957048416138 50412,1788,242,Fatty acids,Sesquiterpenoids,Furans,0.0,MS1_match,GJIZSYSMPFMNED-CKTIHQIMSA-N,"InChI=1S/C20H30O3/c1-7-11(2)18(22)23-15-9-8-12(3)20(6)13(15)10-14(21)16-17(20)19(16,4)5/h10-12,15-17H,7-9H2,1-6H3/t11-,12-,15-,16-,17+,20+/m1/s1",CC[C@@H](C)C(=O)O[C@@H]1CC[C@@H](C)[C@@]2(C)C1=CC(=O)[C@@H]1[C@H]2C1(C)C,C20H30O3,pos_1_1proton1methanol,318.21949482,GJIZSYSMPFMNED,Terpenoids,Sesquiterpenoids,Aristolane sesquiterpenoids,Nardostachys jatamansi,24101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Nardostachys'],['Nardostachys jatamansi'],6,2,7.0 50413,1788,242,Fatty acids,Sesquiterpenoids,Furans,0.0,MS1_match,PTYVAENMFGJFCK-JZPXUEKVSA-N,"InChI=1S/C20H30O3/c1-11(2)9-16(22)23-15-8-7-12(3)20(6)13(15)10-14(21)17-18(20)19(17,4)5/h10-12,15,17-18H,7-9H2,1-6H3/t12-,15-,17-,18+,20+/m1/s1",CC(C)CC(=O)O[C@@H]1CC[C@@H](C)[C@@]2(C)C1=CC(=O)[C@@H]1[C@H]2C1(C)C,C20H30O3,pos_1_1proton1methanol,318.21949482,PTYVAENMFGJFCK,Terpenoids,Sesquiterpenoids,Aristolane sesquiterpenoids,Nardostachys jatamansi,24101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Nardostachys'],['Nardostachys jatamansi'],6,2,7.0 50334,1786,-1,,,,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plectritis congesta,830567.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Plectritis'],['Plectritis congesta'],6,0,6.0 50335,1786,-1,,,,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Centranthus ruber,759056.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Centranthus'],['Centranthus ruber'],6,0,6.0 50336,1786,-1,,,,0.0,MS1_match,PHHROXLDZHUIGO-KQUCSHIGSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17?,20+,21?,22+/m0/s1",CC(=O)OC1C[C@H]2C(COC(=O)CC(C)C)=COC(OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.209717984,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana,393345.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Unknown'],6,0,6.0 50337,1786,-1,,,,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana prionophylla,526653.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana prionophylla'],6,0,6.0 50338,1786,-1,,,,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana pulchella,5746422.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana pulchella'],6,0,6.0 50339,1786,-1,,,,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana edulis,646604.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana edulis'],6,0,6.0 50340,1786,-1,,,,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 50341,1786,-1,,,,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana cardamines,6061598.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana cardamines'],6,0,6.0 50342,1786,-1,,,,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana eriophylla,6061633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana eriophylla'],6,0,6.0 50343,1786,-1,,,,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana rossica,6061718.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana rossica'],6,0,6.0 50344,1786,-1,,,,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana capensis,135852.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana capensis'],6,0,6.0 50345,1786,-1,,,,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana glechomifolia,6061640.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana glechomifolia'],6,0,6.0 50346,1786,-1,,,,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana chionophila,6061606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana chionophila'],6,0,6.0 50347,1786,-1,,,,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana fedtschenkoi,139316.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana longiflora'],6,0,6.0 50348,1786,-1,,,,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana pulvinata,7625148.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana pulvinata'],6,0,6.0 50349,1786,-1,,,,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana micropterina,6061682.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana micropterina'],6,0,6.0 50350,1786,-1,,,,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Fedia cornucopiae,945863.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Fedia'],['Fedia cornucopiae'],6,0,6.0 50351,1786,-1,,,,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valerianella dentata,476255.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valerianella'],['Valerianella dentata'],6,0,6.0 50352,1786,-1,,,,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,0,6.0 50353,1786,-1,,,,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valerianella locusta,459098.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valerianella'],['Valerianella locusta'],6,0,6.0 50354,1786,-1,,,,0.0,MS1_match,KQEOKUJOWVGWDX-QFOSDGOKSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17-,20-,21-,22+/m1/s1",CC(=O)OCC1=CO[C@H](OC(=O)CC(C)C)[C@H]2[C@@H]1C[C@@H](OC(=O)CC(C)C)[C@@]21CO1,C22H32O8,pos_1_1proton2acetonitrile,424.209717984,KQEOKUJOWVGWDX,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana microphylla,21453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana microphylla'],6,0,6.0 50355,1786,-1,,,,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana capensis,135852.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana capensis'],6,0,6.0 50356,1786,-1,,,,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana glechomifolia,6061640.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana glechomifolia'],6,0,6.0 50357,1786,-1,,,,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana chionophila,6061606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana chionophila'],6,0,6.0 50358,1786,-1,,,,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana fedtschenkoi,139316.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana longiflora'],6,0,6.0 50359,1786,-1,,,,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana pulvinata,7625148.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana pulvinata'],6,0,6.0 50360,1786,-1,,,,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana micropterina,6061682.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana micropterina'],6,0,6.0 50361,1786,-1,,,,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana microphylla,21453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana microphylla'],6,0,6.0 50362,1786,-1,,,,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana microphylla,21453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana microphylla'],6,0,6.0 50363,1786,-1,,,,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plectritis congesta,830567.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Plectritis'],['Plectritis congesta'],6,0,6.0 50364,1786,-1,,,,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plectritis macrocera,945858.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Plectritis'],['Plectritis macrocera'],6,0,6.0 50365,1786,-1,,,,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana pseudofficinalis,245963.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana pseudofficinalis'],6,0,6.0 50366,1786,-1,,,,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Centranthus macrosiphon,231861.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Centranthus'],['Centranthus macrosiphon'],6,0,6.0 50367,1786,-1,,,,0.0,MS1_match,PHHROXLDZHUIGO-KQUCSHIGSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17?,20+,21?,22+/m0/s1",CC(=O)OC1C[C@H]2C(COC(=O)CC(C)C)=COC(OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.209717984,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Nardostachys jatamansi,24101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Nardostachys'],['Nardostachys jatamansi'],6,0,6.0 50368,1786,-1,,,,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana sambucifolia,746279.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana sambucifolia'],6,0,6.0 50369,1786,-1,,,,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valerianella coronata,445620.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valerianella'],['Valerianella coronata'],6,0,6.0 50370,1786,-1,,,,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana sitchensis,21459.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana sitchensis'],6,0,6.0 50371,1786,-1,,,,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana sitchensis,21459.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana sitchensis'],6,0,6.0 50372,1786,-1,,,,0.0,MS1_match,GXDIBKDQQDPOBI-BHIFYINESA-N,"InChI=1S/C22H32O8/c1-6-27-12-22(26)17(23)9-16-15(10-28-18(24)7-13(2)3)11-29-21(20(16)22)30-19(25)8-14(4)5/h9,11,13-14,20-21,26H,6-8,10,12H2,1-5H3/t20-,21+,22-/m1/s1",CCOC[C@@]1(O)C(=O)C=C2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]21,C22H32O8,pos_1_1proton2acetonitrile,424.209717984,GXDIBKDQQDPOBI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia rupestris,1035977.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia rupestris'],6,0,6.0 50373,1786,-1,,,,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plectritis macrocera,945858.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Plectritis'],['Plectritis macrocera'],6,0,6.0 50374,1786,-1,,,,0.0,MS1_match,PVKOJQHHDYMUEI-RCUFNAHASA-N,"InChI=1S/C22H32O8/c1-12(2)6-15(24)9-26-17-10-27-21(30-19(25)7-13(3)4)20-16(17)8-18(29-14(5)23)22(20)11-28-22/h10,12-13,16,18,20-21H,6-9,11H2,1-5H3/t16-,18+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(OCC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.209717984,PVKOJQHHDYMUEI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,0,6.0 50375,1786,-1,,,,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana rossica,6061718.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana rossica'],6,0,6.0 50376,1786,-1,,,,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana eriophylla,6061633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana eriophylla'],6,0,6.0 50377,1786,-1,,,,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana cardamines,6061598.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana cardamines'],6,0,6.0 50378,1786,-1,,,,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana edulis,646604.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana edulis'],6,0,6.0 50379,1786,-1,,,,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana pulchella,5746422.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana pulchella'],6,0,6.0 50380,1786,-1,,,,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana prionophylla,526653.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana prionophylla'],6,0,6.0 50381,1786,-1,,,,0.0,MS1_match,PHHROXLDZHUIGO-KQUCSHIGSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17?,20+,21?,22+/m0/s1",CC(=O)OC1C[C@H]2C(COC(=O)CC(C)C)=COC(OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.209717984,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana,393345.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Unknown'],6,0,6.0 50382,1786,-1,,,,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Centranthus ruber,759056.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Centranthus'],['Centranthus ruber'],6,0,6.0 50383,1786,-1,,,,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 50384,1786,-1,,,,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valerianella dentata,476255.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valerianella'],['Valerianella dentata'],6,0,6.0 50385,1786,-1,,,,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,0,6.0 50386,1786,-1,,,,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valerianella locusta,459098.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valerianella'],['Valerianella locusta'],6,0,6.0 50387,1786,-1,,,,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valerianella coronata,445620.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valerianella'],['Valerianella coronata'],6,0,6.0 50388,1786,-1,,,,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana sambucifolia,746279.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana sambucifolia'],6,0,6.0 50389,1786,-1,,,,0.0,MS1_match,PHHROXLDZHUIGO-KQUCSHIGSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17?,20+,21?,22+/m0/s1",CC(=O)OC1C[C@H]2C(COC(=O)CC(C)C)=COC(OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.209717984,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Nardostachys jatamansi,24101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Nardostachys'],['Nardostachys jatamansi'],6,0,6.0 50390,1786,-1,,,,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Centranthus macrosiphon,231861.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Centranthus'],['Centranthus macrosiphon'],6,0,6.0 50391,1786,-1,,,,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana pseudofficinalis,245963.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana pseudofficinalis'],6,0,6.0 50392,1786,-1,,,,0.0,MS1_match,PHHROXLDZHUIGO-PNBTUHDLSA-N,"InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C22H32O8,pos_1_1proton2acetonitrile,424.2097179839999,PHHROXLDZHUIGO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Fedia cornucopiae,945863.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Fedia'],['Fedia cornucopiae'],6,0,6.0 50279,1784,920,Polyketides,Aromatic polyketides,Catechols with side chains,0.4606768,ISDB,BENPXLIQKFYNHW-UHFFFAOYSA-N,"InChI=1S/C27H46O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)20-24-21-26(29)23-27(30)22-24/h21-23,29-30H,2-20H2,1H3",CCCCCCCCCCCCCCCCCCCC(=O)Cc1cc(O)cc(O)c1,C27H46O3,,418.344695332,BENPXLIQKFYNHW,Polyketides,Aromatic polyketides,Catechols with side chains,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],4,3,7.34270715713501 50280,1784,920,Polyketides,Aromatic polyketides,Catechols with side chains,0.4606768,ISDB,BENPXLIQKFYNHW-UHFFFAOYSA-N,"InChI=1S/C27H46O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)20-24-21-26(29)23-27(30)22-24/h21-23,29-30H,2-20H2,1H3",CCCCCCCCCCCCCCCCCCCC(=O)Cc1cc(O)cc(O)c1,C27H46O3,,418.344695332,BENPXLIQKFYNHW,Polyketides,Aromatic polyketides,Catechols with side chains,Secale cereale,553015.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Secale'],['Secale cereale'],4,3,7.34270715713501 50277,1781,-1,,,,0.40621513,ISDB,LWUAWGAZJRITSG-UHFFFAOYSA-N,"InChI=1S/C25H32N4O6/c1-35-22-14-17(8-9-21(22)31)15-23(32)27-11-4-5-12-28-24(33)16-25(34)29-13-10-20(30)18-6-2-3-7-19(18)26/h2-3,6-9,14,31H,4-5,10-13,15-16,26H2,1H3,(H,27,32)(H,28,33)(H,29,34)",COc1cc(CC(=O)NCCCCNC(=O)CC(=O)NCCC(=O)c2ccccc2N)ccc1O,C25H32N4O6,,484.232184744,LWUAWGAZJRITSG,Alkaloids,Ornithine alkaloids,Polyamines,Monodonta labio,662766.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Gastropoda'],['Unknown'],['Trochidae'],['Unknown'],['Monodonta'],['Monodonta labio'],1,0,2.6248605251312256 50253,1780,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.6877613,ISDB,JAKAZHIACKJNNB-RTBURBONSA-N,"InChI=1S/C19H34O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-18(21)15-19(22)16-23-17(2)20/h1,18-19,21-22H,4-16H2,2H3/t18-,19-/m1/s1",C#CCCCCCCCCCCC[C@@H](O)C[C@@H](O)COC(C)=O,C19H34O4,,326.24570956799994,JAKAZHIACKJNNB,Fatty acids,Fatty acyls,Fatty alcohols,Persea americana,913249.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Persea'],['Persea americana'],4,1,7.251045227050781 50148,1779,477,Terpenoids,Apocarotenoids,Megastigmanes,0.51443917,ISDB,HNZUNIKWNYHEJJ-FMIVXFBMSA-N,"InChI=1S/C13H22O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h7,9H,5-6,8,10H2,1-4H3/b12-9+",CC(=O)CC/C=C(\C)CCC=C(C)C,C13H22O,,194.167065324,HNZUNIKWNYHEJJ,Terpenoids,Apocarotenoids,Apocarotenoids (Ψ-),Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,2,10.057756662368774 50135,1778,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.52334476,ISDB,BYDQKMZEOZVIJM-ZGCJARKRSA-N,"InChI=1S/C13H20/c1-5-6-9-12-11(2)8-7-10-13(12,3)4/h5-6,8-9H,7,10H2,1-4H3/b6-5-,12-9-",C/C=C\C=C1\C(C)=CCCC1(C)C,C13H20,,176.15650064,BYDQKMZEOZVIJM,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Passiflora edulis,183517.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Passifloraceae'],['Unknown'],['Passiflora'],['Passiflora edulis'],4,1,6.593379020690918 50131,1777,37,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.3322751,ISDB,LAXQYRRMGGEGOH-JXRLJXCWSA-N,"InChI=1S/C28H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28(31)34-25-27(30)26-36-37(32,33)35-24-23-29(2,3)4/h9-10,12-13,15-16,18-19,27,30H,5-8,11,14,17,20-26H2,1-4H3/b10-9-,13-12-,16-15-,19-18-/t27-/m1/s1",CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C,C28H50NO7P,,543.33248957,LAXQYRRMGGEGOH,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Trypanosoma brucei,494245.0,['Eukaryota'],['Unknown'],['Unknown'],['Unknown'],['Kinetoplastea'],['Unknown'],['Unknown'],['Trypanosoma'],['Trypanosoma brucei'],1,3,3.8291003704071045 50119,1776,-1,,,,0.49704218,ISDB,OHUWCLPFQBDELY-MVXBXNQRSA-N,"InChI=1S/C26H36O10/c1-25(2)7-4-8-26(3)14(25)6-5-11-17(26)16-15(12(9-27)18(11)29)22(33)35-23(16)36-24-21(32)20(31)19(30)13(10-28)34-24/h13-14,19-21,23-24,27-32H,4-10H2,1-3H3/t13-,14+,19-,20+,21-,23-,24+,26+/m1/s1",CC1(C)CCC[C@]2(C)c3c(c(O)c(CO)c4c3[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC4=O)CC[C@@H]12,C26H36O10,,508.230847352,OHUWCLPFQBDELY,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Betonica officinalis,103745.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Betonica'],['Betonica officinalis'],4,0,5.988168716430664 50120,1776,-1,,,,0.49704218,ISDB,OHUWCLPFQBDELY-MVXBXNQRSA-N,"InChI=1S/C26H36O10/c1-25(2)7-4-8-26(3)14(25)6-5-11-17(26)16-15(12(9-27)18(11)29)22(33)35-23(16)36-24-21(32)20(31)19(30)13(10-28)34-24/h13-14,19-21,23-24,27-32H,4-10H2,1-3H3/t13-,14+,19-,20+,21-,23-,24+,26+/m1/s1",CC1(C)CCC[C@]2(C)c3c(c(O)c(CO)c4c3[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC4=O)CC[C@@H]12,C26H36O10,,508.230847352,OHUWCLPFQBDELY,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Stachys officinalis,103745.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Betonica'],['Betonica officinalis'],4,0,5.988168716430664 50117,1775,-1,,,,0.77286696,ISDB,,,,,,,MSPPBQWCHZVSDA,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,3.09146785736084 50021,1774,117,Terpenoids,Octadecanoids,Other Octadecanoids,0.8006644,ISDB,ACHDMUPTZYZIGR-JPAZTHTMSA-N,"InChI=1S/C18H28O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h3-4,6,8,11,14H,2,5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b4-3+,8-6+,14-11+",CC/C=C/C/C=C/C=C/C(=O)CCCCCCCC(=O)O,C18H28O3,,292.203844756,ACHDMUPTZYZIGR,Fatty acids,Octadecanoids,Other Octadecanoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],4,3,8.702657699584961 50022,1774,117,Terpenoids,Octadecanoids,Other Octadecanoids,0.8006644,ISDB,ACHDMUPTZYZIGR-CUHSZNQNSA-N,"InChI=1S/C18H28O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h3-4,6,8,11,14H,2,5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b4-3-,8-6-,14-11+",CC/C=C\C/C=C\C=C\C(=O)CCCCCCCC(=O)O,C18H28O3,,292.203844756,ACHDMUPTZYZIGR,Fatty acids,Octadecanoids,Other Octadecanoids,Isatis tinctoria,631500.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Isatideae'],['Isatis'],['Isatis tinctoria'],4,3,8.702657699584961 50018,1771,-1,,,,0.0,MS1_match,NPDSHTNEKLQQIJ-ZJHFMPGASA-N,"InChI=1S/C18H32O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14,17,19H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-6-,14-11+",CCCCC/C=C\C=C\C(O)CCCCCCCC(=O)O,C18H32O3,pos_1_1proton1acetonitrile,296.235144884,NPDSHTNEKLQQIJ,Fatty acids,Octadecanoids,Other Octadecanoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 50019,1771,-1,,,,0.0,MS1_match,NPDSHTNEKLQQIJ-ZJHFMPGASA-N,"InChI=1S/C18H32O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14,17,19H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-6-,14-11+",CCCCC/C=C\C=C\C(O)CCCCCCCC(=O)O,C18H32O3,pos_1_1proton1acetonitrile,296.235144884,NPDSHTNEKLQQIJ,Fatty acids,Octadecanoids,Other Octadecanoids,Valeriana fauriei,228778.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana fauriei'],6,0,6.0 50020,1771,-1,,,,0.0,MS1_match,SXCVPGXYCJAUPB-YLAKUSLOSA-N,"InChI=1S/C20H32O3/c1-13(2)15-7-8-20(6)11-16(9-14(3)17(20)10-15)23-18(21)12-19(4,5)22/h15-17,22H,1,3,7-12H2,2,4-6H3/t15-,16+,17+,20+/m1/s1",C=C(C)[C@@H]1CC[C@@]2(C)C[C@@H](OC(=O)CC(C)(C)O)CC(=C)[C@@H]2C1,C20H32O3,pos_1_1proton1ammonium,320.235144884,SXCVPGXYCJAUPB,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Nardostachys jatamansi,24101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Nardostachys'],['Nardostachys jatamansi'],6,0,6.0 49971,1769,-1,,,,0.0,MS1_match,UPJVQRZPXLZUET-KGHQQZOUSA-N,"InChI=1S/C28H46O3/c1-18(2)19(3)7-8-20(4)22-9-10-23-25(22,5)13-12-24-26(6)14-11-21(29)17-27(26,30)15-16-28(23,24)31/h7-8,15-16,18-24,29-31H,9-14,17H2,1-6H3/b8-7+/t19-,20+,21-,22+,23+,24+,25+,26+,27+,28-/m0/s1",CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@]3(O)C=C[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C28H46O3,pos_1_1proton1methanol,430.344695332,UPJVQRZPXLZUET,Terpenoids,Steroids,Cholestane steroids,Patrinia rupestris,1035977.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia rupestris'],6,0,6.0 49883,1768,680,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,0.8834385,ISDB,WSGDYLLCHGPLOK-UDSOWZMRSA-N,"InChI=1S/C17H24O5/c1-9(19)22-15-14-12(10(6-18)7-20-15)13-11(16(13,2)3)4-5-17(14)8-21-17/h7,11-15,18H,4-6,8H2,1-3H3/t11-,12+,13-,14-,15+,17+/m0/s1",CC(=O)O[C@H]1OC=C(CO)[C@@H]2[C@@H]3[C@H](CC[C@@]4(CO4)[C@H]12)C3(C)C,C17H24O5,,308.162373868,WSGDYLLCHGPLOK,Terpenoids,Sesquiterpenoids,Aromadendrane sesquiterpenoids,Plagiochila yokogurensis,3855835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Jungermanniopsida'],['Jungermanniales'],['Plagiochilaceae'],['Unknown'],['Plagiochila'],['Plagiochila yokogurensis'],3,2,7.533754110336304 49884,1768,680,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,0.8834385,ISDB,WSGDYLLCHGPLOK-UDSOWZMRSA-N,"InChI=1S/C17H24O5/c1-9(19)22-15-14-12(10(6-18)7-20-15)13-11(16(13,2)3)4-5-17(14)8-21-17/h7,11-15,18H,4-6,8H2,1-3H3/t11-,12+,13-,14-,15+,17+/m0/s1",CC(=O)O[C@H]1OC=C(CO)[C@@H]2[C@@H]3[C@H](CC[C@@]4(CO4)[C@H]12)C3(C)C,C17H24O5,,308.162373868,WSGDYLLCHGPLOK,Terpenoids,Sesquiterpenoids,Aromadendrane sesquiterpenoids,Plagiochila parvifolia,556943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Jungermanniopsida'],['Jungermanniales'],['Plagiochilaceae'],['Unknown'],['Plagiochila'],['Plagiochila parvifolia'],3,2,7.533754110336304 49803,1766,-1,,,,0.0,MS1_match,YEUIANWBIIZWTM-KORLLVGLSA-N,"InChI=1S/C30H46O4/c1-16(2)17-9-10-20-28(6)14-19(32)24-25(29(28,7)15-23(34)30(17,20)8)18(31)13-21-26(3,4)22(33)11-12-27(21,24)5/h16-17,20-23,33-34H,9-15H2,1-8H3/t17-,20+,21+,22-,23-,27+,28+,29-,30-/m1/s1",CC(C)[C@H]1CC[C@@H]2[C@]1(C)[C@H](O)C[C@]1(C)C3=C(C(=O)C[C@@]21C)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC3=O,C30H46O4,pos_1_1proton1acetonitrile,470.339609952,YEUIANWBIIZWTM,Terpenoids,Triterpenoids,Fernane and Arborinane triterpenoids,Lonicera gracilipes,920854.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera gracilipes'],7,0,7.0 49801,1765,116,Alkaloids,Ornithine alkaloids,Polyamines,0.53016245,ISDB,XBOFXNQZWQRVGD-UHFFFAOYSA-N,"InChI=1S/C22H40N2O/c1-24(25-2)20-15-13-11-9-7-5-3-4-6-8-10-12-14-17-22-18-16-19-23-21-22/h16,18-19,21H,3-15,17,20H2,1-2H3",CON(C)CCCCCCCCCCCCCCCc1cccnc1,C22H40N2O,,348.31406389999995,XBOFXNQZWQRVGD,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Calyx podatypa,298919.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Haplosclerida'],['Phloeodictyidae'],['Unknown'],['Calyx'],['Calyx podatypa'],1,1,3.620649814605713 49800,1764,-1,,,,0.0,MS1_match,ZNWRRCQYVMGMGC-NBGZLQLJSA-N,"InChI=1S/C30H49ClO2/c1-19(9-12-25(33)27(4,5)31)20-13-17-30(8)22-10-11-23-26(2,3)24(32)15-16-28(23,6)21(22)14-18-29(20,30)7/h10,19-21,23,25,33H,9,11-18H2,1-8H3/t19-,20-,21-,23-,25-,28+,29+,30-/m0/s1",C[C@@H](CC[C@H](O)C(C)(C)Cl)[C@@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C,C30H49ClO2,pos_2MK,476.342108488,ZNWRRCQYVMGMGC,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Tripterygium doianum,293273.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium doianum'],6,0,6.0 49799,1763,-1,,,,0.0,MS1_match,BSOROLZKYXGRJC-LVXXQJFHSA-N,"InChI=1S/C23H34N2O3/c1-4-21-10-16(28-3)23-13-8-12-6-7-22(27,18(13)17(12)20(24)26)14(9-15(21)23)19(23)25(5-2)11-21/h4,12-19,27H,1,5-11H2,2-3H3,(H2,24,26)/t12?,13?,14?,15?,16-,17?,18?,19?,21+,22-,23?/m0/s1",C=C[C@]12C[C@H](OC)C34C5CC6CC[C@](O)(C(CC31)C4N(CC)C2)C5C6C(N)=O,C23H34N2O3,pos_2MK,386.256942948,BSOROLZKYXGRJC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum racemulosum,892121.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum racemulosum'],6,0,6.0 49765,1762,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.572335,ISDB,VHFYCADQVMYJEI-OCCSQVGLSA-N,"InChI=1S/C14H22/c1-10(2)13-8-7-12-6-4-5-11(3)14(12)9-13/h12,14H,3-9H2,1-2H3/t12-,14+/m1/s1",C=C1CCC[C@@H]2CCC(=C(C)C)C[C@@H]12,C14H22,,190.172150704,VHFYCADQVMYJEI,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Trichogonia salviifolia,5739079.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Trichogonia'],['Trichogonia salviifolia'],4,3,7.789340019226074 49757,1760,-1,,,,0.31929895,ISDB,CTHDLZOITPXSJS-XPBQOANCSA-N,"InChI=1S/C29H36O2/c1-18-7-11-24(12-8-18)28-26(30-28)16-22(5)20(3)15-21(4)23(6)17-27-29(31-27)25-13-9-19(2)10-14-25/h7-14,20-21,26-29H,5-6,15-17H2,1-4H3/t20-,21+,26-,27-,28-,29-/m1/s1",C=C(C[C@H]1O[C@@H]1c1ccc(C)cc1)[C@H](C)C[C@H](C)C(=C)C[C@H]1O[C@@H]1c1ccc(C)cc1,C29H36O2,,416.27153039199993,CTHDLZOITPXSJS,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Machilus zuihoensis,36198.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Machilus'],['Machilus zuihoensis'],4,0,5.2771958112716675 49755,1752,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,HMTVXYYWICMXMY-YSVDCJIHSA-N,"InChI=1S/C15H26O3/c1-8-5-11(16)13-9(8)6-10-12(17)7-15(13,4)18-14(10,2)3/h8-13,16-17H,5-7H2,1-4H3/t8-,9-,10+,11-,12+,13+,15+/m1/s1",C[C@@H]1C[C@@H](O)[C@@H]2[C@@H]1C[C@H]1[C@@H](O)C[C@]2(C)OC1(C)C,C15H26O3,pos_1_1proton1methanol,254.188194692,HMTVXYYWICMXMY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 49756,1752,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,HMTVXYYWICMXMY-YSVDCJIHSA-N,"InChI=1S/C15H26O3/c1-8-5-11(16)13-9(8)6-10-12(17)7-15(13,4)18-14(10,2)3/h8-13,16-17H,5-7H2,1-4H3/t8-,9-,10+,11-,12+,13+,15+/m1/s1",C[C@@H]1C[C@@H](O)[C@@H]2[C@@H]1C[C@H]1[C@@H](O)C[C@]2(C)OC1(C)C,C15H26O3,pos_1_1proton1methanol,254.188194692,HMTVXYYWICMXMY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Valeriana fauriei,228778.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana fauriei'],6,0,6.0 49721,1751,-1,,,,0.34720787,ISDB,CDSFEDLMFNBDBT-UHFFFAOYSA-N,"InChI=1S/C12H20O3/c1-2-3-5-8-11(13)9-6-4-7-10-12(14)15/h2H,1,3-10H2,(H,14,15)",C=CCCCC(=O)CCCCCC(=O)O,C12H20O3,,212.1412445,CDSFEDLMFNBDBT,Fatty acids,Fatty Acids and Conjugates,Oxo fatty acids,Apium graveolens,2472.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Apieae'],['Apium'],['Apium graveolens'],4,0,5.3888314962387085 49720,1750,-1,,,,0.0,MS1_match,FSJKQGGXOQBDIY-IBGZPJMESA-N,"InChI=1S/C29H33NO7/c1-30-10-9-17-12-24(35-5)29(37-21-14-23(34-4)22(33-3)13-18(21)15-31)27-25(17)19(30)11-16-7-8-20(32-2)28(36-6)26(16)27/h7-8,12-14,19,31H,9-11,15H2,1-6H3/t19-/m0/s1",COc1cc(CO)c(Oc2c(OC)cc3c4c2-c2c(ccc(OC)c2OC)C[C@@H]4N(C)CC3)cc1OC,C29H33NO7,pos_3_3proton,507.225702396,FSJKQGGXOQBDIY,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Thalictrum tuberiferum,338809.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum tuberiferum'],6,0,6.0 49564,1749,-1,,,,0.5516345,ISDB,IYBHZAIQDKSHHC-WYZRNZGCSA-N,"InChI=1S/C21H34O4/c1-5-7-9-11-13-15-17-21(25-19(4)23)20(24-18(3)22)16-14-12-10-8-6-2/h6-7,9,13,15,20-21H,2,5,8,10-12,14,16-17H2,1,3-4H3/b9-7-,15-13-/t20-,21-/m0/s1",C=CCCCCC[C@H](OC(C)=O)[C@H](C/C=C\C/C=C\CC)OC(C)=O,C21H34O4,,350.245709568,IYBHZAIQDKSHHC,,,,Cirsium helenioides,111716.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cirsium'],['Cirsium helenioides'],4,0,6.206537961959839 49534,1748,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.37304074,ISDB,XNJLQKDYYHRSAJ-UHFFFAOYSA-N,"InChI=1S/C16H30O3/c1-2-3-4-6-9-12-15(17)13-10-7-5-8-11-14-16(18)19/h9,12,15,17H,2-8,10-11,13-14H2,1H3,(H,18,19)",CCCCCC=CC(O)CCCCCCCC(=O)O,C16H30O3,,270.21949482,XNJLQKDYYHRSAJ,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Elaeagnus angustifolia,209044.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Elaeagnaceae'],['Unknown'],['Elaeagnus'],['Elaeagnus angustifolia'],4,2,6.4921629428863525 49513,1745,-1,,,,0.22408809,ISDB,YUDRGFQOIGCZAM-DDNMXHNFSA-N,"InChI=1S/C14H20O5/c1-9-11(15)12(16)13(17)14(19-9)18-8-7-10-5-3-2-4-6-10/h2-6,9,11-17H,7-8H2,1H3/t9-,11-,12+,13+,14+/m0/s1",C[C@@H]1O[C@@H](OCCc2ccccc2)[C@H](O)[C@H](O)[C@H]1O,C14H20O5,,268.13107374,YUDRGFQOIGCZAM,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Xylaria,44251.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Xylariales'],['Xylariaceae'],['Unknown'],['Xylaria'],['Unknown'],1,0,1.8963523507118225 49507,1743,62,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,HUVIXLWRQSMCLN-PXRCHJMLSA-N,"InChI=1S/C19H30O11/c1-5-9-10(6-13(25-2)26-3)11(17(24)27-4)8-28-18(9)30-19-16(23)15(22)14(21)12(7-20)29-19/h5,8-10,12-16,18-23H,1,6-7H2,2-4H3/t9-,10+,12-,14-,15+,16-,18+,19+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC(OC)OC,C19H30O11,pos_1_1proton1acetonitrile,434.1788117799998,HUVIXLWRQSMCLN,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],8,2,9.0 49508,1743,62,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,HUVIXLWRQSMCLN-PXRCHJMLSA-N,"InChI=1S/C19H30O11/c1-5-9-10(6-13(25-2)26-3)11(17(24)27-4)8-28-18(9)30-19-16(23)15(22)14(21)12(7-20)29-19/h5,8-10,12-16,18-23H,1,6-7H2,2-4H3/t9-,10+,12-,14-,15+,16-,18+,19+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC(OC)OC,C19H30O11,pos_1_1proton1acetonitrile,434.1788117799998,HUVIXLWRQSMCLN,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],8,2,9.0 49034,1742,-1,,,,0.47763667,ISDB,FYLVGTPFZJPYES-YNZDMMAESA-N,"InChI=1S/C20H28O3/c1-12-13-4-8-19(16(12)21)9-5-14-18(2)6-3-7-20(14,15(19)10-13)11-23-17(18)22/h13-16,21H,1,3-11H2,2H3/t13-,14-,15-,16-,18-,19-,20-/m0/s1",C=C1[C@H]2CC[C@@]3(CC[C@@H]4[C@@]5(CCC[C@]4(C)C(=O)OC5)[C@H]3C2)[C@H]1O,C20H28O3,,316.203844756,FYLVGTPFZJPYES,Terpenoids,Diterpenoids,Atisane diterpenoids,Aconitum heterophyllum,124446.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum heterophyllum'],6,0,7.910546660423279 48918,1740,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.77097756,ISDB,RVEKLXYYCHAMDF-AOSYACOCSA-N,"InChI=1S/C16H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h4-5,7-8H,2-3,6,9-15H2,1H3,(H,17,18)/b5-4+,8-7+",CCC/C=C/C/C=C/CCCCCCCC(=O)O,C16H28O2,,252.208930136,RVEKLXYYCHAMDF,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Asclepias syriaca,148395.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Asclepiadeae'],['Asclepias'],['Asclepias syriaca'],4,2,8.0839102268219 48895,1739,117,Terpenoids,Octadecanoids,Other Octadecanoids,0.41992632,ISDB,,,,,,,CQOAKBVRRVHWKV,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.679705262184143 48198,1734,15,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,0.35148275,ISDB,AFMMLDAVYSFRHS-HGNGLJKMSA-N,"InChI=1S/C15H22O4/c1-14(2)9-6-7-15(3)8(4-5-10(16)19-15)11(12(9)14)13(17)18/h8-9,11-12H,4-7H2,1-3H3,(H,17,18)/t8-,9-,11-,12-,15-/m0/s1",CC1(C)[C@@H]2[C@@H](C(=O)O)[C@@H]3CCC(=O)O[C@@]3(C)CC[C@@H]21,C15H22O4,,266.151809184,AFMMLDAVYSFRHS,Terpenoids,Sesquiterpenoids,Aromadendrane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,2,8.405930995941162 48199,1734,15,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,0.35148275,ISDB,AFMMLDAVYSFRHS-HGNGLJKMSA-N,"InChI=1S/C15H22O4/c1-14(2)9-6-7-15(3)8(4-5-10(16)19-15)11(12(9)14)13(17)18/h8-9,11-12H,4-7H2,1-3H3,(H,17,18)/t8-,9-,11-,12-,15-/m0/s1",CC1(C)[C@@H]2[C@@H](C(=O)O)[C@@H]3CCC(=O)O[C@@]3(C)CC[C@@H]21,C15H22O4,,266.151809184,AFMMLDAVYSFRHS,Terpenoids,Sesquiterpenoids,Aromadendrane sesquiterpenoids,Valeriana dageletiana,7625130.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana dageletiana'],6,2,8.405930995941162 48200,1734,15,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,0.35148275,ISDB,AFMMLDAVYSFRHS-HGNGLJKMSA-N,"InChI=1S/C15H22O4/c1-14(2)9-6-7-15(3)8(4-5-10(16)19-15)11(12(9)14)13(17)18/h8-9,11-12H,4-7H2,1-3H3,(H,17,18)/t8-,9-,11-,12-,15-/m0/s1",CC1(C)[C@@H]2[C@@H](C(=O)O)[C@@H]3CCC(=O)O[C@@]3(C)CC[C@@H]21,C15H22O4,,266.151809184,AFMMLDAVYSFRHS,Terpenoids,Sesquiterpenoids,Aromadendrane sesquiterpenoids,Valeriana officinalis var. latifolia,430697.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,2,8.405930995941162 48187,1733,173,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BGDMXWQJUGENQP-QPCLWJSESA-N,"InChI=1S/C21H34O11/c1-9(2)3-15(25)32-20-16-11(4-13(24)12(16)5-22)10(7-29-20)8-30-21-19(28)18(27)17(26)14(6-23)31-21/h7,9,11-14,16-24,26-28H,3-6,8H2,1-2H3/t11-,12+,13+,14-,16+,17-,18+,19-,20+,21-/m1/s1",CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2C[C@H](O)[C@H](CO)[C@@H]12,C21H34O11,pos_1_1proton1ammonium,462.2101119079999,BGDMXWQJUGENQP,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,3,7.5 48188,1733,173,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BGDMXWQJUGENQP-QPCLWJSESA-N,"InChI=1S/C21H34O11/c1-9(2)3-15(25)32-20-16-11(4-13(24)12(16)5-22)10(7-29-20)8-30-21-19(28)18(27)17(26)14(6-23)31-21/h7,9,11-14,16-24,26-28H,3-6,8H2,1-2H3/t11-,12+,13+,14-,16+,17-,18+,19-,20+,21-/m1/s1",CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2C[C@H](O)[C@H](CO)[C@@H]12,C21H34O11,pos_1_1proton1ammonium,462.2101119079999,BGDMXWQJUGENQP,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana fauriei,228778.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana fauriei'],6,3,7.5 48189,1733,173,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BGDMXWQJUGENQP-QPCLWJSESA-N,"InChI=1S/C21H34O11/c1-9(2)3-15(25)32-20-16-11(4-13(24)12(16)5-22)10(7-29-20)8-30-21-19(28)18(27)17(26)14(6-23)31-21/h7,9,11-14,16-24,26-28H,3-6,8H2,1-2H3/t11-,12+,13+,14-,16+,17-,18+,19-,20+,21-/m1/s1",CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2C[C@H](O)[C@H](CO)[C@@H]12,C21H34O11,pos_1_1proton1ammonium,462.2101119079999,BGDMXWQJUGENQP,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia gibbosa,231859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia gibbosa'],6,3,7.5 48190,1733,173,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BGDMXWQJUGENQP-UHFFFAOYSA-N,"InChI=1S/C21H34O11/c1-9(2)3-15(25)32-20-16-11(4-13(24)12(16)5-22)10(7-29-20)8-30-21-19(28)18(27)17(26)14(6-23)31-21/h7,9,11-14,16-24,26-28H,3-6,8H2,1-2H3",CC(C)CC(=O)OC1OC=C(COC2OC(CO)C(O)C(O)C2O)C2CC(O)C(CO)C12,C21H34O11,pos_1_1proton1ammonium,462.2101119079999,BGDMXWQJUGENQP,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia scabiosifolia,231856.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia scabiosifolia'],6,3,7.5 48191,1733,173,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BGDMXWQJUGENQP-QPCLWJSESA-N,"InChI=1S/C21H34O11/c1-9(2)3-15(25)32-20-16-11(4-13(24)12(16)5-22)10(7-29-20)8-30-21-19(28)18(27)17(26)14(6-23)31-21/h7,9,11-14,16-24,26-28H,3-6,8H2,1-2H3/t11-,12+,13+,14-,16+,17-,18+,19-,20+,21-/m1/s1",CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2C[C@H](O)[C@H](CO)[C@@H]12,C21H34O11,pos_1_1proton1ammonium,462.2101119079999,BGDMXWQJUGENQP,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,3,7.5 48192,1733,173,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BGDMXWQJUGENQP-QPCLWJSESA-N,"InChI=1S/C21H34O11/c1-9(2)3-15(25)32-20-16-11(4-13(24)12(16)5-22)10(7-29-20)8-30-21-19(28)18(27)17(26)14(6-23)31-21/h7,9,11-14,16-24,26-28H,3-6,8H2,1-2H3/t11-,12+,13+,14-,16+,17-,18+,19-,20+,21-/m1/s1",CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2C[C@H](O)[C@H](CO)[C@@H]12,C21H34O11,pos_1_1proton1ammonium,462.2101119079999,BGDMXWQJUGENQP,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana fauriei,228778.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana fauriei'],6,3,7.5 48193,1733,173,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BGDMXWQJUGENQP-QPCLWJSESA-N,"InChI=1S/C21H34O11/c1-9(2)3-15(25)32-20-16-11(4-13(24)12(16)5-22)10(7-29-20)8-30-21-19(28)18(27)17(26)14(6-23)31-21/h7,9,11-14,16-24,26-28H,3-6,8H2,1-2H3/t11-,12+,13+,14-,16+,17-,18+,19-,20+,21-/m1/s1",CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2C[C@H](O)[C@H](CO)[C@@H]12,C21H34O11,pos_1_1proton1ammonium,462.2101119079999,BGDMXWQJUGENQP,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia gibbosa,231859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia gibbosa'],6,3,7.5 48194,1733,173,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BGDMXWQJUGENQP-UHFFFAOYSA-N,"InChI=1S/C21H34O11/c1-9(2)3-15(25)32-20-16-11(4-13(24)12(16)5-22)10(7-29-20)8-30-21-19(28)18(27)17(26)14(6-23)31-21/h7,9,11-14,16-24,26-28H,3-6,8H2,1-2H3",CC(C)CC(=O)OC1OC=C(COC2OC(CO)C(O)C(O)C2O)C2CC(O)C(CO)C12,C21H34O11,pos_1_1proton1ammonium,462.2101119079999,BGDMXWQJUGENQP,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia scabiosifolia,231856.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia scabiosifolia'],6,3,7.5 48195,1733,173,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,RKKLMLPXHGWOKI-FXHXVMKNSA-N,"InChI=1S/C21H34O11/c1-10-5-31-21(11(2)3-4-12(10)21)9-30-18-16(25)15(24)14(23)13(32-18)6-28-19-17(26)20(27,7-22)8-29-19/h3,10,12-19,22-27H,4-9H2,1-2H3/t10-,12-,13-,14-,15+,16-,17+,18-,19-,20-,21-/m1/s1",CC1=CC[C@@H]2[C@H](C)CO[C@]12CO[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C21H34O11,pos_1_1proton1ammonium,462.2101119079999,RKKLMLPXHGWOKI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia scabra,68239.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia scabra'],6,3,7.5 48196,1733,173,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LANCLZFYVLANQS-RHMPUOGUSA-N,"InChI=1S/C21H34O11/c1-9(2)4-14(24)32-19-15-11(5-13(23)21(15,3)28)10(7-29-19)8-30-20-18(27)17(26)16(25)12(6-22)31-20/h7,9,11-13,15-20,22-23,25-28H,4-6,8H2,1-3H3/t11-,12-,13+,15-,16-,17+,18-,19+,20-,21-/m1/s1",CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2C[C@H](O)[C@@](C)(O)[C@@H]12,C21H34O11,pos_1_1proton1ammonium,462.210111908,LANCLZFYVLANQS,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,3,7.5 48197,1733,173,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LANCLZFYVLANQS-RHMPUOGUSA-N,"InChI=1S/C21H34O11/c1-9(2)4-14(24)32-19-15-11(5-13(23)21(15,3)28)10(7-29-19)8-30-20-18(27)17(26)16(25)12(6-22)31-20/h7,9,11-13,15-20,22-23,25-28H,4-6,8H2,1-3H3/t11-,12-,13+,15-,16-,17+,18-,19+,20-,21-/m1/s1",CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2C[C@H](O)[C@@](C)(O)[C@@H]12,C21H34O11,pos_1_1proton1ammonium,462.210111908,LANCLZFYVLANQS,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia gibbosa,231859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia gibbosa'],6,3,7.5 48126,1729,-1,,,,0.5190903,ISDB,WMAMGZISNJIRAE-UHFFFAOYSA-N,"InChI=1S/C18H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7H,2-5,8,13-17H2,1H3,(H,19,20)",CCCCCC=CCC#CC#CCCCCCC(=O)O,C18H26O2,,274.193280072,WMAMGZISNJIRAE,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Heisteria acuminata,347246.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Santalales'],['Erythropalaceae'],['Unknown'],['Heisteria'],['Heisteria acuminata'],4,0,6.076361179351807 48125,1728,1016,Terpenoids,Macrolides,Macrolide lactones,0.4259067,ISDB,,,,,,,HHIATQMGSRWXBW,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.7036267518997192 48122,1724,-1,,,,0.0,MS1_match,IUSBVFZKQJGVEP-SNAWJCMRSA-N,"InChI=1S/C12H14O3/c1-4-5-10-6-7-11(15-9(2)13)12(8-10)14-3/h4-8H,1-3H3/b5-4+",C/C=C/c1ccc(OC(C)=O)c(OC)c1,C12H14O3,pos_1_1proton2acetonitrile,206.094294308,IUSBVFZKQJGVEP,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 48046,1718,-1,,,,0.73942816,ISDB,LLUGDEYQSVTJSI-WBVHZDCISA-N,"InChI=1S/C18H24O2/c1-11-8-12-4-6-15-13(9-14(12)10-16(11)19)5-7-17(20)18(15,2)3/h8-10,15,17,19-20H,4-7H2,1-3H3/t15-,17+/m1/s1",Cc1cc2c(cc1O)C=C1CC[C@H](O)C(C)(C)[C@@H]1CC2,C18H24O2,,272.177630008,LLUGDEYQSVTJSI,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Trigonostemon flavidus,3914668.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Trigonostemoneae'],['Trigonostemon'],['Trigonostemon flavidus'],4,0,6.957712650299072 48047,1718,-1,,,,0.73942816,ISDB,LLUGDEYQSVTJSI-WBVHZDCISA-N,"InChI=1S/C18H24O2/c1-11-8-12-4-6-15-13(9-14(12)10-16(11)19)5-7-17(20)18(15,2)3/h8-10,15,17,19-20H,4-7H2,1-3H3/t15-,17+/m1/s1",Cc1cc2c(cc1O)C=C1CC[C@H](O)C(C)(C)[C@@H]1CC2,C18H24O2,,272.177630008,LLUGDEYQSVTJSI,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Ricinodendron heudelotii,976414.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Ricinodendreae'],['Ricinodendron'],['Ricinodendron heudelotii'],4,0,6.957712650299072 48048,1718,-1,,,,0.73942816,ISDB,LLUGDEYQSVTJSI-WBVHZDCISA-N,"InChI=1S/C18H24O2/c1-11-8-12-4-6-15-13(9-14(12)10-16(11)19)5-7-17(20)18(15,2)3/h8-10,15,17,19-20H,4-7H2,1-3H3/t15-,17+/m1/s1",Cc1cc2c(cc1O)C=C1CC[C@H](O)C(C)(C)[C@@H]1CC2,C18H24O2,,272.177630008,LLUGDEYQSVTJSI,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Trigonostemon chinensis,3914635.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Trigonostemoneae'],['Trigonostemon'],['Trigonostemon wui'],4,0,6.957712650299072 48036,1714,440,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,0.39106685,ISDB,OISFHODBOQNZAG-IAGOWNOFSA-N,"InChI=1S/C18H36O5/c19-15-11-7-2-1-4-8-12-16(20)17(21)13-9-5-3-6-10-14-18(22)23/h16-17,19-21H,1-15H2,(H,22,23)/t16-,17-/m1/s1",O=C(O)CCCCCCC[C@@H](O)[C@H](O)CCCCCCCCO,C18H36O5,,332.256274252,OISFHODBOQNZAG,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Salvia,374096.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Unknown'],4,3,7.06426739692688 48037,1714,440,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,0.39106685,ISDB,OISFHODBOQNZAG-UHFFFAOYSA-N,"InChI=1S/C18H36O5/c19-15-11-7-2-1-4-8-12-16(20)17(21)13-9-5-3-6-10-14-18(22)23/h16-17,19-21H,1-15H2,(H,22,23)",O=C(O)CCCCCCCC(O)C(O)CCCCCCCCO,C18H36O5,,332.2562742519999,OISFHODBOQNZAG,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Rosmarinus officinalis,778824.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia rosmarinus'],4,3,7.06426739692688 48038,1714,440,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,0.39106685,ISDB,OISFHODBOQNZAG-UHFFFAOYSA-N,"InChI=1S/C18H36O5/c19-15-11-7-2-1-4-8-12-16(20)17(21)13-9-5-3-6-10-14-18(22)23/h16-17,19-21H,1-15H2,(H,22,23)",O=C(O)CCCCCCCC(O)C(O)CCCCCCCCO,C18H36O5,,332.2562742519999,OISFHODBOQNZAG,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],4,3,7.06426739692688 48039,1714,440,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,0.39106685,ISDB,OISFHODBOQNZAG-UHFFFAOYSA-N,"InChI=1S/C18H36O5/c19-15-11-7-2-1-4-8-12-16(20)17(21)13-9-5-3-6-10-14-18(22)23/h16-17,19-21H,1-15H2,(H,22,23)",O=C(O)CCCCCCCC(O)C(O)CCCCCCCCO,C18H36O5,,332.2562742519999,OISFHODBOQNZAG,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Clivia miniata,512516.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Unknown'],['Clivia'],['Clivia miniata'],4,3,7.06426739692688 48005,1713,-1,,,,0.4374302,ISDB,,,,,,,UEUBGZRBSVKCEF,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.749720811843872 47941,1711,94,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.6244017,ISDB,JREXFVZSWAOXFR-UHFFFAOYSA-N,"InChI=1S/C19H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h3H,1,4-12,15-18H2,2H3",C=CCCCCCCCCCC#CCCCCC(=O)OC,C19H32O2,,292.240230264,JREXFVZSWAOXFR,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Alvaradoa amorphoides,210340.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Picramniales'],['Picramniaceae'],['Unknown'],['Alvaradoa'],['Alvaradoa amorphoides'],4,3,7.9976067543029785 47901,1710,174,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,ZAPWQTQNJAINHZ-AEDQHDDNSA-N,"InChI=1S/C58H94O25/c1-24-34(62)39(67)43(71)48(77-24)81-45-37(65)29(61)21-75-50(45)80-33-12-13-54(5)31(55(33,6)23-59)11-14-57(8)32(54)10-9-26-27-19-53(3,4)15-17-58(27,18-16-56(26,57)7)52(73)83-51-46(82-49-44(72)40(68)35(63)25(2)78-49)41(69)38(66)30(79-51)22-76-47-42(70)36(64)28(60)20-74-47/h9,24-25,27-51,59-72H,10-23H2,1-8H3/t24-,25-,27+,28+,29-,30+,31+,32+,33-,34-,35-,36-,37-,38+,39+,40+,41-,42+,43+,44+,45+,46+,47-,48-,49-,50-,51-,54-,55-,56+,57+,58-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C4[C@H]6CC(C)(C)CC[C@]6(C(=O)O[C@@H]6O[C@H](CO[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]45C)[C@]3(C)CO)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C58H94O25,pos_2_2proton,1190.608418508,ZAPWQTQNJAINHZ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],8,3,9.5 47900,1704,-1,,,,0.30037358,ISDB,,,,,,,BENRMCVWICIKQJ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.2014943361282349 47087,1703,-1,,,,0.73574775,ISDB,KTPOZFYJWLGJGH-COMQUAJESA-N,"InChI=1S/C15H22O/c1-9-8-10(16)12-13-11(9)15(12,4)7-5-6-14(13,2)3/h8,11-13H,5-7H2,1-4H3/t11-,12+,13-,15+/m1/s1",CC1=CC(=O)[C@H]2[C@H]3[C@@H]1[C@]2(C)CCCC3(C)C,C15H22O,,218.167065324,KTPOZFYJWLGJGH,Terpenoids,Sesquiterpenoids,Longipinane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,8.942991018295288 47085,1702,73,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.3318033,ISDB,OFKUJHJJCQCWLX-UWVXJICLSA-N,"InChI=1S/C47H72O12/c1-13-25(3)39(53)58-37-38(59-40(54)26(4)14-2)47(24-55-41-36(52)35(51)30(23-48)57-41)29(21-42(37,6)7)28-15-16-32-44(10)19-18-33(50)43(8,9)31(44)17-20-45(32,11)46(28,12)22-34(47)56-27(5)49/h13-15,29-38,41,48,50-52H,16-24H2,1-12H3/b25-13+,26-14+/t29-,30+,31-,32+,33-,34+,35-,36-,37-,38-,41+,44-,45+,46+,47-/m0/s1",C/C=C(\C)C(=O)O[C@H]1[C@H](OC(=O)/C(C)=C/C)[C@]2(CO[C@@H]3O[C@H](CO)[C@H](O)[C@@H]3O)[C@H](OC(C)=O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2CC1(C)C,C47H72O12,,828.502377744,OFKUJHJJCQCWLX,Terpenoids,Triterpenoids,Oleanane triterpenoids,Planchonia careya,3901629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Lecythidaceae'],['Unknown'],['Planchonia'],['Planchonia careya'],4,3,6.827213168144226 47080,1701,58,Polyketides,Glycerolipids,Glycosyldiacylglycerols,0.432716,ISDB,UUAGMUWFWZGYBW-DKXFVNHDSA-N,"InChI=1S/C36H66O2Si2/c1-31(2)20-22-36(25-37-39(8,9)10)23-21-34(6)26(27(36)24-31)14-15-29-33(5)18-17-30(38-40(11,12)13)32(3,4)28(33)16-19-35(29,34)7/h14,27-30H,15-25H2,1-13H3/t27-,28-,29+,30-,33-,34+,35+,36+/m0/s1",CC1(C)CC[C@]2(CO[Si](C)(C)C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[Si](C)(C)C)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C36H66O2Si2,,586.460134412,UUAGMUWFWZGYBW,Terpenoids,Triterpenoids,Oleanane triterpenoids,Chenopodium quinoa,117198.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Chenopodiaceae'],['Atripliceae'],['Chenopodium'],['Chenopodium quinoa'],4,0,5.73086404800415 46975,1695,884,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-γ)",0.30418837,ISDB,UIUSQYGQZRBKCC-NHWXEJKLSA-N,"InChI=1S/C40H54O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-26,36-37,41H,5,27-29H2,1-4,6-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+/t36-,37+/m1/s1",C=C1C=CCC(C)(C)[C@H]1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C,C40H54O,,550.417466348,UIUSQYGQZRBKCC,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-γ)",Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],4,3,6.7167534828186035 46961,1694,-1,,,,0.27950457,ISDB,LYEFFNNYUIQXHS-YHWKNFMLSA-N,"InChI=1S/C16H22O3/c1-12(2)5-4-9-16(3,19)10-8-13-11-14(17)6-7-15(13)18/h5-8,10-11,17-19H,4,9H2,1-3H3/b10-8-/t16-/m0/s1",CC(C)=CCC[C@](C)(O)/C=C\c1cc(O)ccc1O,C16H22O3,,262.156894564,LYEFFNNYUIQXHS,Terpenoids,Meroterpenoids,Meromonoterpenoids,Cordia alliodora,638295.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Cordiaceae'],['Unknown'],['Cordia'],['Cordia alliodora'],0,0,1.1180182695388794 46960,1693,-1,,,,0.0,MS1_match,VPOHIHRBJNYFHU-ZBONBIFWSA-N,"InChI=1S/C50H82O18/c1-23-18-49(9)26(27-19-45(4,5)15-16-50(23,27)68-25(3)53)17-29(61-10)41-46(6)13-12-32(47(7,22-52)31(46)11-14-48(41,49)8)65-43-37(59)35(57)39(30(20-51)64-43)66-44-38(60)40(33(55)24(2)63-44)67-42-36(58)34(56)28(54)21-62-42/h17,23-24,27-44,51-52,54-60H,11-16,18-22H2,1-10H3/t23-,24-,27-,28+,29+,30+,31+,32-,33-,34-,35+,36+,37+,38+,39+,40+,41+,42-,43-,44-,46-,47-,48+,49+,50-/m0/s1",CO[C@@H]1C=C2[C@@H]3CC(C)(C)CC[C@]3(OC(C)=O)[C@@H](C)C[C@@]2(C)[C@]2(C)CC[C@H]3[C@](C)(CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@H]5O)[C@H](O)[C@H]4O)CC[C@]3(C)[C@@H]12,C50H82O18,pos_3_1proton2sodium,970.550115784,VPOHIHRBJNYFHU,Terpenoids,Triterpenoids,Oleanane triterpenoids,Nigella sativa,142360.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Nigelleae'],['Nigella'],['Nigella sativa'],6,0,6.0 46928,1692,-1,,,,0.25038695,ISDB,GDNJHSLMSYVKFX-KBPBESRZSA-N,"InChI=1S/C16H20O4/c1-16(2,19)14(20-3)9-10-8-13(17)11-6-4-5-7-12(11)15(10)18/h4-7,9,13-14,17,19H,8H2,1-3H3/t13-,14-/m0/s1",CO[C@@H](C=C1C[C@H](O)c2ccccc2C1=O)C(C)(C)O,C16H20O4,,276.13615912,GDNJHSLMSYVKFX,Polyketides,Naphthalenes,Naphthoquinones,Catalpa ovata,309390.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Bignoniaceae'],['Catalpeae'],['Catalpa'],['Catalpa ovata'],4,0,5.001547813415527 46779,1690,-1,,,,0.26163307,ISDB,ZQBLOEFPHMRSSU-UHFFFAOYSA-N,"InChI=1S/C21H32O4/c1-13(22)16-6-11-21(25)19(16,3)9-7-17-18(2)8-5-15(23)12-14(18)4-10-20(17,21)24/h4,15-17,23-25H,5-12H2,1-3H3",CC(=O)C1CCC2(O)C1(C)CCC1C3(C)CCC(O)CC3=CCC12O,C21H32O4,,348.230059504,ZQBLOEFPHMRSSU,Terpenoids,Steroids,Pregnane steroids,Adonis amurensis,243850.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Adonideae'],['Adonis'],['Adonis amurensis'],6,0,7.0465322732925415 46768,1689,404,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BGDMXWQJUGENQP-QPCLWJSESA-N,"InChI=1S/C21H34O11/c1-9(2)3-15(25)32-20-16-11(4-13(24)12(16)5-22)10(7-29-20)8-30-21-19(28)18(27)17(26)14(6-23)31-21/h7,9,11-14,16-24,26-28H,3-6,8H2,1-2H3/t11-,12+,13+,14-,16+,17-,18+,19-,20+,21-/m1/s1",CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2C[C@H](O)[C@H](CO)[C@@H]12,C21H34O11,pos_1_sodium,462.2101119079999,BGDMXWQJUGENQP,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,3,7.5 46769,1689,404,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BGDMXWQJUGENQP-QPCLWJSESA-N,"InChI=1S/C21H34O11/c1-9(2)3-15(25)32-20-16-11(4-13(24)12(16)5-22)10(7-29-20)8-30-21-19(28)18(27)17(26)14(6-23)31-21/h7,9,11-14,16-24,26-28H,3-6,8H2,1-2H3/t11-,12+,13+,14-,16+,17-,18+,19-,20+,21-/m1/s1",CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2C[C@H](O)[C@H](CO)[C@@H]12,C21H34O11,pos_1_sodium,462.2101119079999,BGDMXWQJUGENQP,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana fauriei,228778.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana fauriei'],6,3,7.5 46770,1689,404,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BGDMXWQJUGENQP-QPCLWJSESA-N,"InChI=1S/C21H34O11/c1-9(2)3-15(25)32-20-16-11(4-13(24)12(16)5-22)10(7-29-20)8-30-21-19(28)18(27)17(26)14(6-23)31-21/h7,9,11-14,16-24,26-28H,3-6,8H2,1-2H3/t11-,12+,13+,14-,16+,17-,18+,19-,20+,21-/m1/s1",CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2C[C@H](O)[C@H](CO)[C@@H]12,C21H34O11,pos_1_sodium,462.2101119079999,BGDMXWQJUGENQP,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia gibbosa,231859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia gibbosa'],6,3,7.5 46771,1689,404,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BGDMXWQJUGENQP-UHFFFAOYSA-N,"InChI=1S/C21H34O11/c1-9(2)3-15(25)32-20-16-11(4-13(24)12(16)5-22)10(7-29-20)8-30-21-19(28)18(27)17(26)14(6-23)31-21/h7,9,11-14,16-24,26-28H,3-6,8H2,1-2H3",CC(C)CC(=O)OC1OC=C(COC2OC(CO)C(O)C(O)C2O)C2CC(O)C(CO)C12,C21H34O11,pos_1_sodium,462.2101119079999,BGDMXWQJUGENQP,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia scabiosifolia,231856.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia scabiosifolia'],6,3,7.5 46772,1689,404,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BGDMXWQJUGENQP-QPCLWJSESA-N,"InChI=1S/C21H34O11/c1-9(2)3-15(25)32-20-16-11(4-13(24)12(16)5-22)10(7-29-20)8-30-21-19(28)18(27)17(26)14(6-23)31-21/h7,9,11-14,16-24,26-28H,3-6,8H2,1-2H3/t11-,12+,13+,14-,16+,17-,18+,19-,20+,21-/m1/s1",CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2C[C@H](O)[C@H](CO)[C@@H]12,C21H34O11,pos_1_sodium,462.2101119079999,BGDMXWQJUGENQP,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,3,7.5 46773,1689,404,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BGDMXWQJUGENQP-QPCLWJSESA-N,"InChI=1S/C21H34O11/c1-9(2)3-15(25)32-20-16-11(4-13(24)12(16)5-22)10(7-29-20)8-30-21-19(28)18(27)17(26)14(6-23)31-21/h7,9,11-14,16-24,26-28H,3-6,8H2,1-2H3/t11-,12+,13+,14-,16+,17-,18+,19-,20+,21-/m1/s1",CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2C[C@H](O)[C@H](CO)[C@@H]12,C21H34O11,pos_1_sodium,462.2101119079999,BGDMXWQJUGENQP,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana fauriei,228778.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana fauriei'],6,3,7.5 46774,1689,404,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BGDMXWQJUGENQP-QPCLWJSESA-N,"InChI=1S/C21H34O11/c1-9(2)3-15(25)32-20-16-11(4-13(24)12(16)5-22)10(7-29-20)8-30-21-19(28)18(27)17(26)14(6-23)31-21/h7,9,11-14,16-24,26-28H,3-6,8H2,1-2H3/t11-,12+,13+,14-,16+,17-,18+,19-,20+,21-/m1/s1",CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2C[C@H](O)[C@H](CO)[C@@H]12,C21H34O11,pos_1_sodium,462.2101119079999,BGDMXWQJUGENQP,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia gibbosa,231859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia gibbosa'],6,3,7.5 46775,1689,404,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BGDMXWQJUGENQP-UHFFFAOYSA-N,"InChI=1S/C21H34O11/c1-9(2)3-15(25)32-20-16-11(4-13(24)12(16)5-22)10(7-29-20)8-30-21-19(28)18(27)17(26)14(6-23)31-21/h7,9,11-14,16-24,26-28H,3-6,8H2,1-2H3",CC(C)CC(=O)OC1OC=C(COC2OC(CO)C(O)C(O)C2O)C2CC(O)C(CO)C12,C21H34O11,pos_1_sodium,462.2101119079999,BGDMXWQJUGENQP,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia scabiosifolia,231856.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia scabiosifolia'],6,3,7.5 46776,1689,404,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,RKKLMLPXHGWOKI-FXHXVMKNSA-N,"InChI=1S/C21H34O11/c1-10-5-31-21(11(2)3-4-12(10)21)9-30-18-16(25)15(24)14(23)13(32-18)6-28-19-17(26)20(27,7-22)8-29-19/h3,10,12-19,22-27H,4-9H2,1-2H3/t10-,12-,13-,14-,15+,16-,17+,18-,19-,20-,21-/m1/s1",CC1=CC[C@@H]2[C@H](C)CO[C@]12CO[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C21H34O11,pos_1_sodium,462.2101119079999,RKKLMLPXHGWOKI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia scabra,68239.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia scabra'],6,3,7.5 46777,1689,404,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LANCLZFYVLANQS-RHMPUOGUSA-N,"InChI=1S/C21H34O11/c1-9(2)4-14(24)32-19-15-11(5-13(23)21(15,3)28)10(7-29-19)8-30-20-18(27)17(26)16(25)12(6-22)31-20/h7,9,11-13,15-20,22-23,25-28H,4-6,8H2,1-3H3/t11-,12-,13+,15-,16-,17+,18-,19+,20-,21-/m1/s1",CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2C[C@H](O)[C@@](C)(O)[C@@H]12,C21H34O11,pos_1_sodium,462.210111908,LANCLZFYVLANQS,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,3,7.5 46778,1689,404,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LANCLZFYVLANQS-RHMPUOGUSA-N,"InChI=1S/C21H34O11/c1-9(2)4-14(24)32-19-15-11(5-13(23)21(15,3)28)10(7-29-19)8-30-20-18(27)17(26)16(25)12(6-22)31-20/h7,9,11-13,15-20,22-23,25-28H,4-6,8H2,1-3H3/t11-,12-,13+,15-,16-,17+,18-,19+,20-,21-/m1/s1",CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2C[C@H](O)[C@@](C)(O)[C@@H]12,C21H34O11,pos_1_sodium,462.210111908,LANCLZFYVLANQS,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia gibbosa,231859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia gibbosa'],6,3,7.5 46721,1688,-1,,,,0.6146991,ISDB,ZCCLDKGWJIREQF-PDBXOOCHSA-N,"InChI=1S/C21H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23/h3-4,6-7,9-10,20,22-23H,2,5,8,11-19H2,1H3/b4-3-,7-6-,10-9-",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC(CO)CO,C21H36O4,,352.261359632,ZCCLDKGWJIREQF,Fatty acids,Glycerolipids,Monoacylglycerols,Halimodendron halodendron,761641.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Caraganeae'],['Halimodendron'],['Halimodendron halodendron'],4,0,6.458796501159668 46638,1687,242,Fatty acids,Sesquiterpenoids,Furans,0.76157117,ISDB,PORPGKSIWVNTJC-XTEVQFBVSA-N,"InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h8-15H,2-7,16-17H2,1H3,(H,19,20)/b9-8?,11-10?,13-12?,15-14+",CCCCCCCC=CC=CC=C/C=C/CCC(=O)O,C18H28O2,,276.208930136,PORPGKSIWVNTJC,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Ixora chinensis,319890.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Ixoreae'],['Ixora'],['Ixora chinensis'],4,1,7.5462846755981445 46563,1686,-1,,,,0.2864837,ISDB,OQWQQASPTCXQLO-LMMKCTJWSA-N,"InChI=1S/C19H26O3/c1-18(2)16-6-5-12-9-13(11-20)15(22-4)10-14(12)19(16,3)8-7-17(18)21/h5-6,9-10,16-17,20-21H,7-8,11H2,1-4H3/t16-,17-,19+/m1/s1",COc1cc2c(cc1CO)C=C[C@@H]1C(C)(C)[C@H](O)CC[C@@]21C,C19H26O3,,302.188194692,OQWQQASPTCXQLO,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Flueggea virosa,351505.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Flueggea'],['Flueggea virosa'],4,0,5.145934820175171 46559,1681,166,Amino acids and Peptides,Small peptides,Dipeptides,0.2841002,ISDB,MLTRLIITQPXHBJ-BQBZGAKWSA-N,"InChI=1S/C10H19N3O4/c1-5(2)3-6(11)9(15)13-7(10(16)17)4-8(12)14/h5-7H,3-4,11H2,1-2H3,(H2,12,14)(H,13,15)(H,16,17)/t6-,7-/m0/s1",CC(C)C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)O,C10H19N3O4,,245.137556088,MLTRLIITQPXHBJ,Amino acids and Peptides,Small peptides,Dipeptides,Trypanosoma brucei,494245.0,['Eukaryota'],['Unknown'],['Unknown'],['Unknown'],['Kinetoplastea'],['Unknown'],['Unknown'],['Trypanosoma'],['Trypanosoma brucei'],1,3,3.636400818824768 46560,1681,166,Amino acids and Peptides,Small peptides,Dipeptides,0.2841002,ISDB,MLTRLIITQPXHBJ-BQBZGAKWSA-N,"InChI=1S/C10H19N3O4/c1-5(2)3-6(11)9(15)13-7(10(16)17)4-8(12)14/h5-7H,3-4,11H2,1-2H3,(H2,12,14)(H,13,15)(H,16,17)/t6-,7-/m0/s1",CC(C)C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)O,C10H19N3O4,,245.137556088,MLTRLIITQPXHBJ,Amino acids and Peptides,Small peptides,Dipeptides,Ambystoma mexicanum,984726.0,['Eukaryota'],['Metazoa'],['Chordata'],['Amphibia'],['Caudata'],['Ambystomatidae'],['Unknown'],['Ambystoma'],['Ambystoma mexicanum'],1,3,3.636400818824768 46350,1680,-1,,,,0.63451654,ISDB,LFZKYFUJTHRDRN-JXIMHRGCSA-N,"InChI=1S/C21H32O3/c1-18-8-5-15-19(2)9-7-16(22)20(3,17(23)24-4)14(19)6-10-21(15,13-18)12-11-18/h11-12,14-16,22H,5-10,13H2,1-4H3/t14-,15-,16+,18+,19+,20-,21-/m0/s1",COC(=O)[C@]1(C)[C@H](O)CC[C@@]2(C)[C@@H]3CC[C@]4(C)C=C[C@@]3(CC[C@@H]21)C4,C21H32O3,,332.235144884,LFZKYFUJTHRDRN,Terpenoids,Diterpenoids,Beyerane diterpenoids,Polycalymma stuartii,1076957.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Polycalymma'],['Polycalymma stuartii'],4,0,6.538066148757935 46348,1679,-1,,,,0.0,MS1_match,OXPXIQPEHBLBIX-VMOHQDNESA-N,"InChI=1S/C43H70O16/c1-19-15-22(33(38(5,6)52)55-20(2)45)59-43(53)32(19)39(7)13-14-42-18-41(42)12-11-26(57-34-30(50)27(47)21(46)17-54-34)37(3,4)24(41)9-10-25(42)40(39,8)36(43)58-35-31(51)29(49)28(48)23(16-44)56-35/h19,21-36,44,46-53H,9-18H2,1-8H3/t19-,21-,22-,23-,24+,25+,26+,27+,28-,29+,30-,31-,32-,33+,34+,35+,36-,39-,40-,41-,42+,43+/m1/s1",CC(=O)O[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@](O)(O1)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O,C43H70O16,pos_2_2proton2acetonitrile,842.46638616,OXPXIQPEHBLBIX,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Actaea dahurica,462227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea dahurica'],6,0,6.0 46328,1677,103,Terpenoids,Sesquiterpenoids,Valerenane sesquiterpenoids,0.5892168,ISDB,SZWZLWGBWZARPP-FMKPAKJESA-N,"InChI=1S/C16H26O/c1-12-6-7-14-15(2,3)9-5-10-16(14,4)13(12)8-11-17/h6,11,13-14H,5,7-10H2,1-4H3/t13-,14-,16+/m1/s1",CC1=CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CC=O,C16H26O,,234.198365452,SZWZLWGBWZARPP,Terpenoids,Sesquiterpenoids,Drimane sesquiterpenoids,Acritopappus confertus,5920784.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Acritopappus'],['Acritopappus confertus'],4,2,7.35686731338501 46309,1676,110,Polyketides,Aromatic polyketides,Naphthoquinones,0.494601,ISDB,YRXAZIXHMJZERG-UHFFFAOYSA-N,"InChI=1S/C35H52O6/c1-4-6-8-10-12-14-16-18-20-22-25-29-27(24-28(40-3)31(25)36)41-35-30(29)34(39)32(37)26(33(35)38)23-21-19-17-15-13-11-9-7-5-2/h24,36-37H,4-23H2,1-3H3",CCCCCCCCCCCC1=C(O)C(=O)c2c(oc3cc(OC)c(O)c(CCCCCCCCCCC)c23)C1=O,C35H52O6,,568.3763893839999,YRXAZIXHMJZERG,Polyketides,Naphthalenes,Naphthoquinones,Aegiceras corniculatum,519879.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Primulaceae'],['Unknown'],['Aegiceras'],['Aegiceras corniculatum'],4,3,7.4784040451049805 46304,1674,1300,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,0.46831053,ISDB,ZSFQRNHZRLRTMV-SWIOJJMMSA-N,"InChI=1S/C21H38O9/c1-12(6-5-7-13(2)14(24)10-22)8-9-16(21(3,4)28)30-20-19(27)18(26)17(25)15(11-23)29-20/h6,14-20,22-28H,2,5,7-11H2,1,3-4H3/b12-6+/t14-,15-,16-,17-,18+,19-,20+/m1/s1",C=C(CC/C=C(\C)CC[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(C)(C)O)[C@H](O)CO,C21H38O9,,434.251582796,ZSFQRNHZRLRTMV,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Trillium camschatcense,76103.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Liliales'],['Melanthiaceae'],['Unknown'],['Trillium'],['Trillium camschatcense'],4,3,7.373242139816284 46305,1674,1300,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,0.46831053,ISDB,ZSFQRNHZRLRTMV-SWIOJJMMSA-N,"InChI=1S/C21H38O9/c1-12(6-5-7-13(2)14(24)10-22)8-9-16(21(3,4)28)30-20-19(27)18(26)17(25)15(11-23)29-20/h6,14-20,22-28H,2,5,7-11H2,1,3-4H3/b12-6+/t14-,15-,16-,17-,18+,19-,20+/m1/s1",C=C(CC/C=C(\C)CC[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(C)(C)O)[C@H](O)CO,C21H38O9,,434.251582796,ZSFQRNHZRLRTMV,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Trillium kamtschaticum,76103.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Liliales'],['Melanthiaceae'],['Unknown'],['Trillium'],['Trillium camschatcense'],4,3,7.373242139816284 46300,1672,-1,,,,0.0,MS1_match,AOGQPLXWSUTHQB-UHFFFAOYSA-N,"InChI=1S/C8H16O2/c1-3-4-5-6-7-10-8(2)9/h3-7H2,1-2H3",CCCCCCOC(C)=O,C8H16O2,pos_2MH,144.115029752,AOGQPLXWSUTHQB,Fatty acids,Fatty esters,Wax monoesters,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 46297,1668,88,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MWOOGOJBHIARFG-UHFFFAOYSA-N,"InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3",COc1cc(C=O)ccc1O,C8H8O3,pos_1_1proton,152.047344116,MWOOGOJBHIARFG,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera microphylla,980075.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera microphylla'],7,3,8.5 46294,1665,-1,,,,0.22577265,ISDB,,,,,,,SPUGTKTYKGAGRY,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.9030905961990356 46242,1664,-1,,,,0.6216725,ISDB,QHZLMUACJMDIAE-UHFFFAOYSA-N,"InChI=1S/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h18,20-21H,2-17H2,1H3",CCCCCCCCCCCCCCCC(=O)OCC(O)CO,C19H38O4,,330.277009696,QHZLMUACJMDIAE,Fatty acids,Glycerolipids,Monoacylglycerols,Actaea racemosa,512702.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea racemosa'],6,0,8.486690044403076 46085,1662,15,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,0.23206627,ISDB,CDKNUBLSEZJSAU-YIXWCVDNSA-N,"InChI=1S/C20H30O5/c1-17(15(21)22)7-3-8-20(16(23)24)13(17)6-9-19-10-12(4-5-14(19)20)18(2,25)11-19/h12-14,25H,3-11H2,1-2H3,(H,21,22)(H,23,24)/t12-,13-,14-,17-,18-,19+,20+/m1/s1",C[C@@]1(C(=O)O)CCC[C@@]2(C(=O)O)[C@@H]3CC[C@@H]4C[C@@]3(CC[C@@H]21)C[C@@]4(C)O,C20H30O5,,350.20932406,CDKNUBLSEZJSAU,Terpenoids,Diterpenoids,Gibberellins,Tripterygium wilfordii,300831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium wilfordii'],6,1,7.42826509475708 46081,1661,-1,,,,0.32151625,ISDB,CTHDLZOITPXSJS-XPBQOANCSA-N,"InChI=1S/C29H36O2/c1-18-7-11-24(12-8-18)28-26(30-28)16-22(5)20(3)15-21(4)23(6)17-27-29(31-27)25-13-9-19(2)10-14-25/h7-14,20-21,26-29H,5-6,15-17H2,1-4H3/t20-,21+,26-,27-,28-,29-/m1/s1",C=C(C[C@H]1O[C@@H]1c1ccc(C)cc1)[C@H](C)C[C@H](C)C(=C)C[C@H]1O[C@@H]1c1ccc(C)cc1,C29H36O2,,416.27153039199993,CTHDLZOITPXSJS,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Machilus zuihoensis,36198.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Machilus'],['Machilus zuihoensis'],4,0,5.286064982414246 45507,1660,-1,,,,0.48363146,ISDB,DRVBFTZBBRULEX-LHWCIIDMSA-N,"InChI=1S/C30H48O2/c1-18(2)19-9-12-23-28(6)16-13-20-21(29(28,7)17-25(32)30(19,23)8)10-11-22-26(3,4)24(31)14-15-27(20,22)5/h10,13,18-19,22-25,31-32H,9,11-12,14-17H2,1-8H3/t19-,22+,23+,24-,25-,27-,28+,29-,30-/m1/s1",CC(C)[C@H]1CC[C@@H]2[C@]1(C)[C@H](O)C[C@]1(C)C3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)C3=CC[C@@]21C,C30H48O2,,440.365430776,DRVBFTZBBRULEX,Terpenoids,Triterpenoids,Fernane and Arborinane triterpenoids,Lonicera gracilipes,920854.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera gracilipes'],7,0,8.934525847434998 45496,1659,964,Terpenoids,Diterpenoids,Menthane monoterpenoids,0.39196888,ISDB,QWTSMPKFTJSMFD-AZUAARDMSA-N,"InChI=1S/C20H26O/c1-13-14-6-7-18-19(2,3)9-5-10-20(18,4)16(14)12-17-15(13)8-11-21-17/h8,11-12,18H,5-7,9-10H2,1-4H3/t18-,20+/m0/s1",Cc1c2c(cc3occc13)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2,C20H26O,,282.198365452,QWTSMPKFTJSMFD,Terpenoids,Diterpenoids,Cassane diterpenoids,Guilandina bonduc,72917.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Guilandina'],['Guilandina bonduc'],4,2,6.567875504493713 45497,1659,964,Terpenoids,Diterpenoids,Menthane monoterpenoids,0.39196888,ISDB,QWTSMPKFTJSMFD-AZUAARDMSA-N,"InChI=1S/C20H26O/c1-13-14-6-7-18-19(2,3)9-5-10-20(18,4)16(14)12-17-15(13)8-11-21-17/h8,11-12,18H,5-7,9-10H2,1-4H3/t18-,20+/m0/s1",Cc1c2c(cc3occc13)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2,C20H26O,,282.198365452,QWTSMPKFTJSMFD,Terpenoids,Diterpenoids,Cassane diterpenoids,Caesalpinia crista,656774.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Guilandina'],['Guilandina crista'],4,2,6.567875504493713 45279,1657,-1,,,,0.52485895,ISDB,PSQYTAPXSHCGMF-BQYQJAHWSA-N,"InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7+",CC(=O)/C=C/C1=C(C)CCCC1(C)C,C13H20O,,192.15141526,PSQYTAPXSHCGMF,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,8.099435806274414 45278,1654,-1,,,,0.0,MS1_match,UEGSTWRRIJQNQF-KALOZNMDSA-N,"InChI=1S/C29H46O12/c1-9-38-29(15-30)21(39-19(8)31)12-28(35)20(14-37-27(25(28)29)41-23(33)11-17(4)5)13-36-26(34)24(18(6)7)40-22(32)10-16(2)3/h14,16-18,21,24-25,27,30,35H,9-13,15H2,1-8H3/t21-,24+,25-,27-,28-,29-/m0/s1",CCO[C@@]1(CO)[C@@H](OC(C)=O)C[C@]2(O)C(COC(=O)[C@H](OC(=O)CC(C)C)C(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@H]12,C29H46O12,pos_2_2proton2acetonitrile,586.298926912,UEGSTWRRIJQNQF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,0,6.0 45256,1652,477,Terpenoids,Apocarotenoids,Megastigmanes,0.54325795,ISDB,QWCOEYNCDIXGMI-FWANMBCFSA-N,"InChI=1S/C24H42O11/c1-13-6-5-8-22(3,4)24(13,31)9-7-14(2)34-20-18(28)17(27)16(26)15(35-20)10-32-21-19(29)23(30,11-25)12-33-21/h6,14-21,25-31H,5,7-12H2,1-4H3/t14-,15-,16-,17+,18-,19+,20+,21-,23-,24-/m1/s1",CC1=CCCC(C)(C)[C@@]1(O)CC[C@@H](C)O[C@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C24H42O11,,506.272712164,QWCOEYNCDIXGMI,Terpenoids,Apocarotenoids,Megastigmanes,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],4,3,7.673031806945801 45257,1652,477,Terpenoids,Apocarotenoids,Megastigmanes,0.54325795,ISDB,QWCOEYNCDIXGMI-FWANMBCFSA-N,"InChI=1S/C24H42O11/c1-13-6-5-8-22(3,4)24(13,31)9-7-14(2)34-20-18(28)17(27)16(26)15(35-20)10-32-21-19(29)23(30,11-25)12-33-21/h6,14-21,25-31H,5,7-12H2,1-4H3/t14-,15-,16-,17+,18-,19+,20+,21-,23-,24-/m1/s1",CC1=CCCC(C)(C)[C@@]1(O)CC[C@@H](C)O[C@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C24H42O11,,506.272712164,QWCOEYNCDIXGMI,Terpenoids,Apocarotenoids,Megastigmanes,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],4,3,7.673031806945801 45238,1647,835,Terpenoids,Steroids,Pregnane steroids,0.41637304,ISDB,XOUUZSVTQKJJSX-IHIZVTIOSA-N,"InChI=1S/C24H36O9/c1-14-8-10-19(11-9-14)24(6,12-7-13-25)33-23-22(32-18(5)28)21(31-17(4)27)20(15(2)29-23)30-16(3)26/h8,13,15,19-23H,7,9-12H2,1-6H3/t15-,19-,20+,21+,22-,23+,24+/m1/s1",CC(=O)O[C@H]1[C@@H](OC(C)=O)[C@@H](C)O[C@@H](O[C@@](C)(CCC=O)[C@@H]2CC=C(C)CC2)[C@@H]1OC(C)=O,C24H36O9,,468.2359327319998,XOUUZSVTQKJJSX,Terpenoids,,,Carthamus lanatus,1066138.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus lanatus'],4,1,6.1654921770095825 45237,1645,32,Terpenoids,Diterpenoids,Halimane diterpenoids,0.21084827,ISDB,,,,,,,UFVAZSWBZSLTFV,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.843393087387085 45235,1641,-1,,,,0.0,MS1_match,DRLFMBDRBRZALE-UHFFFAOYSA-N,"InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)",COc1ccc2[nH]cc(CCNC(C)=O)c2c1,C13H16N2O2,pos_1_1proton1ethylamine,232.121177752,DRLFMBDRBRZALE,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 45188,1640,410,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,HKQZUYOVMYOFIT-JEJCSOMWSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19-,20+,21+,22-/m1/s1",CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C22H35NO4,pos_2MCH3CNNa,377.2566085999999,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium pentagynum,782529.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium pentagynum'],6,3,7.5 45189,1640,410,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,HKQZUYOVMYOFIT-JEJCSOMWSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19-,20+,21+,22-/m1/s1",CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C22H35NO4,pos_2MCH3CNNa,377.2566085999999,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum lethale,6131432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum lethale'],6,3,7.5 45190,1640,410,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,HKQZUYOVMYOFIT-JEJCSOMWSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19-,20+,21+,22-/m1/s1",CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C22H35NO4,pos_2MCH3CNNa,377.2566085999999,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum falconeri,6131385.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum falconeri'],6,3,7.5 45191,1640,410,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,HKQZUYOVMYOFIT-UHFFFAOYSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3",CCN1CC2(C)CCC(O)C34C5CC6C(OC)CC(O)(C(CC23)C14)C5C6O,C22H35NO4,pos_2MCH3CNNa,377.2566086,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum japonicum,5511352.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum japonicum'],6,3,7.5 45192,1640,410,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,HKQZUYOVMYOFIT-UHFFFAOYSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3",CCN1CC2(C)CCC(O)C34C5CC6C(OC)CC(O)(C(CC23)C14)C5C6O,C22H35NO4,pos_2MCH3CNNa,377.2566086,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum carmichaelii,549536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum carmichaelii'],6,3,7.5 45193,1640,410,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,HKQZUYOVMYOFIT-VHNBHZRZSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19?,20+,21+,22-/m1/s1",CCN1C[C@]2(C)CC[C@H](O)[C@]34C1[C@H](C[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C22H35NO4,pos_2MCH3CNNa,377.2566085999999,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium davisii,6131635.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium davisii'],6,3,7.5 45194,1640,410,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,HKQZUYOVMYOFIT-ZRNHKMHYSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13?,14+,15-,16+,17-,18+,19?,20+,21+,22?/m1/s1",CCN1C[C@]2(C)CC[C@H](O)C34C1C(C[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C22H35NO4,pos_2MCH3CNNa,377.2566086,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium nuttallianum,643524.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium nuttallianum'],6,3,7.5 45195,1640,410,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,HKQZUYOVMYOFIT-ZRNHKMHYSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13?,14+,15-,16+,17-,18+,19?,20+,21+,22?/m1/s1",CCN1C[C@]2(C)CC[C@H](O)C34C1C(C[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C22H35NO4,pos_2MCH3CNNa,377.2566086,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum vilmorinianum,976183.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum vilmorinianum'],6,3,7.5 45196,1640,410,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,HKQZUYOVMYOFIT-UHFFFAOYSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3",CCN1CC2(C)CCC(O)C34C5CC6C(OC)CC(O)(C(CC23)C14)C5C6O,C22H35NO4,pos_2MCH3CNNa,377.2566086,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum napellus,586780.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum napellus'],6,3,7.5 45197,1640,410,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,HKQZUYOVMYOFIT-JEJCSOMWSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19-,20+,21+,22-/m1/s1",CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C22H35NO4,pos_2MCH3CNNa,377.2566085999999,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium crispulum,309502.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium crispulum'],6,3,7.5 45198,1640,410,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,HKQZUYOVMYOFIT-UHFFFAOYSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3",CCN1CC2(C)CCC(O)C34C5CC6C(OC)CC(O)(C(CC23)C14)C5C6O,C22H35NO4,pos_2MCH3CNNa,377.2566086,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum carmichaeli,549536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum carmichaelii'],6,3,7.5 45199,1640,410,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,VCOQRRVEIUTMFC-OVENPUKKSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-11-5-6-17(27-3)22-13(11)8-15(20(22)23)21(25)9-16(26-2)12-7-14(22)18(21)19(12)24/h11-20,24-25H,4-10H2,1-3H3/t11-,12+,13?,14?,15?,16-,17?,18?,19?,20+,21-,22?/m0/s1",CCN1C[C@@H]2CCC(OC)C34C5C[C@H]6C(O)C5[C@](O)(C[C@@H]6OC)C(CC23)[C@@H]14,C22H35NO4,pos_2MCH3CNNa,377.2566086,VCOQRRVEIUTMFC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum napellus,586780.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum napellus'],6,3,7.5 45200,1640,410,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,VCOQRRVEIUTMFC-UHFFFAOYSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-11-5-6-17(27-3)22-13(11)8-15(20(22)23)21(25)9-16(26-2)12-7-14(22)18(21)19(12)24/h11-20,24-25H,4-10H2,1-3H3",CCN1CC2CCC(OC)C34C2CC(C13)C1(O)CC(OC)C2CC4C1C2O,C22H35NO4,pos_2MCH3CNNa,377.2566086,VCOQRRVEIUTMFC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum monticola,625485.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum monticola'],6,3,7.5 45201,1640,410,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,VCOQRRVEIUTMFC-UHFFFAOYSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-11-5-6-17(27-3)22-13(11)8-15(20(22)23)21(25)9-16(26-2)12-7-14(22)18(21)19(12)24/h11-20,24-25H,4-10H2,1-3H3",CCN1CC2CCC(OC)C34C2CC(C13)C1(O)CC(OC)C2CC4C1C2O,C22H35NO4,pos_2MCH3CNNa,377.2566086,VCOQRRVEIUTMFC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum campylorrhynchum,117075.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum campylorrhynchum'],6,3,7.5 45202,1640,410,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,VCOQRRVEIUTMFC-UHFFFAOYSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-11-5-6-17(27-3)22-13(11)8-15(20(22)23)21(25)9-16(26-2)12-7-14(22)18(21)19(12)24/h11-20,24-25H,4-10H2,1-3H3",CCN1CC2CCC(OC)C34C2CC(C13)C1(O)CC(OC)C2CC4C1C2O,C22H35NO4,pos_2MCH3CNNa,377.2566086,VCOQRRVEIUTMFC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum pseudostapfianum,1073593.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum tuguancunense'],6,3,7.5 45203,1640,410,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,VCOQRRVEIUTMFC-UHFFFAOYSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-11-5-6-17(27-3)22-13(11)8-15(20(22)23)21(25)9-16(26-2)12-7-14(22)18(21)19(12)24/h11-20,24-25H,4-10H2,1-3H3",CCN1CC2CCC(OC)C34C2CC(C13)C1(O)CC(OC)C2CC4C1C2O,C22H35NO4,pos_2MCH3CNNa,377.2566086,VCOQRRVEIUTMFC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum piepunense,384357.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum piepunense'],6,3,7.5 45204,1640,410,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,VCOQRRVEIUTMFC-IZGTZTBCSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-11-5-6-17(27-3)22-13(11)8-15(20(22)23)21(25)9-16(26-2)12-7-14(22)18(21)19(12)24/h11-20,24-25H,4-10H2,1-3H3/t11-,12+,13+,14+,15-,16-,17-,18+,19-,20+,21-,22-/m0/s1",CCN1C[C@@H]2CC[C@H](OC)[C@@]34[C@@H]2C[C@@H]([C@@H]13)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C22H35NO4,pos_2MCH3CNNa,377.2566086,VCOQRRVEIUTMFC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum toxicum,5737811.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum toxicum'],6,3,7.5 45205,1640,410,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,VCOQRRVEIUTMFC-OVENPUKKSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-11-5-6-17(27-3)22-13(11)8-15(20(22)23)21(25)9-16(26-2)12-7-14(22)18(21)19(12)24/h11-20,24-25H,4-10H2,1-3H3/t11-,12+,13?,14?,15?,16-,17?,18?,19?,20+,21-,22?/m0/s1",CCN1C[C@@H]2CCC(OC)C34C5C[C@H]6C(O)C5[C@](O)(C[C@@H]6OC)C(CC23)[C@@H]14,C22H35NO4,pos_2MCH3CNNa,377.2566086,VCOQRRVEIUTMFC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum contortum,909683.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum contortum'],6,3,7.5 45206,1640,410,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,UIVVIYORXDFKKO-IGWUHLPXSA-N,"InChI=1S/C22H35NO4/c1-3-23-10-19(2)6-5-16(25)22-14(19)9-13(17(22)23)20-7-4-12(8-15(20)22)21(27,11-24)18(20)26/h12-18,24-27H,3-11H2,1-2H3/t12-,13-,14+,15+,16-,17+,18-,19-,20-,21-,22-/m0/s1",CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@@H]2C[C@@H]([C@@H]13)[C@@]12CC[C@@H](C[C@H]14)[C@@](O)(CO)[C@H]2O,C22H35NO4,pos_2MCH3CNNa,377.2566086,UIVVIYORXDFKKO,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium crispulum,309502.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium crispulum'],6,3,7.5 45207,1640,410,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,UIVVIYORXDFKKO-IGWUHLPXSA-N,"InChI=1S/C22H35NO4/c1-3-23-10-19(2)6-5-16(25)22-14(19)9-13(17(22)23)20-7-4-12(8-15(20)22)21(27,11-24)18(20)26/h12-18,24-27H,3-11H2,1-2H3/t12-,13-,14+,15+,16-,17+,18-,19-,20-,21-,22-/m0/s1",CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@@H]2C[C@@H]([C@@H]13)[C@@]12CC[C@@H](C[C@H]14)[C@@](O)(CO)[C@H]2O,C22H35NO4,pos_2MCH3CNNa,377.2566086,UIVVIYORXDFKKO,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium linearilobum,7591246.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium linearilobum'],6,3,7.5 45208,1640,410,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,KEXOMXFRKYKFSR-UNIHHUBBSA-N,"InChI=1S/C22H35NO4/c1-3-23-10-19(2)14-9-13-17(23)21(14,7-5-16(19)25)15-8-12-4-6-20(13,15)18(26)22(12,27)11-24/h12-18,24-27H,3-11H2,1-2H3/t12-,13-,14+,15+,16+,17+,18-,19-,20-,21-,22-/m0/s1",CCN1C[C@]2(C)[C@H](O)CC[C@@]34[C@@H]5C[C@@H]6CC[C@]5([C@H](O)[C@]6(O)CO)[C@@H](C[C@H]23)[C@@H]14,C22H35NO4,pos_2MCH3CNNa,377.2566086,KEXOMXFRKYKFSR,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum cochleare,7591220.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum cochleare'],6,3,7.5 45209,1640,410,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,VCOQRRVEIUTMFC-OVENPUKKSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-11-5-6-17(27-3)22-13(11)8-15(20(22)23)21(25)9-16(26-2)12-7-14(22)18(21)19(12)24/h11-20,24-25H,4-10H2,1-3H3/t11-,12+,13?,14?,15?,16-,17?,18?,19?,20+,21-,22?/m0/s1",CCN1C[C@@H]2CCC(OC)C34C5C[C@H]6C(O)C5[C@](O)(C[C@@H]6OC)C(CC23)[C@@H]14,C22H35NO4,pos_2MCH3CNNa,377.2566086,VCOQRRVEIUTMFC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum forrestii,556432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum forrestii'],6,3,7.5 45210,1640,410,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,HKGMHDMSESOCGT-YISBXEQFSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(27-3)22-12-7-11-14(24)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13+,14-,15-,16+,17-,18+,19-,20+,21+,22-/m1/s1",CCN1C[C@]2(C)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@H]6O)[C@@H](C[C@H]23)[C@@H]14,C22H35NO4,pos_2MCH3CNNa,377.2566086,HKGMHDMSESOCGT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum geniculatum,97187.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum geniculatum'],6,3,7.5 45211,1640,410,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,HKQZUYOVMYOFIT-UHFFFAOYSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3",CCN1CC2(C)CCC(O)C34C5CC6C(OC)CC(O)(C(CC23)C14)C5C6O,C22H35NO4,pos_2MCH3CNNa,377.2566086,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum kusnezoffii,141633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum kusnezoffii'],6,3,7.5 45212,1640,410,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,HKQZUYOVMYOFIT-ZRNHKMHYSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13?,14+,15-,16+,17-,18+,19?,20+,21+,22?/m1/s1",CCN1C[C@]2(C)CC[C@H](O)C34C1C(C[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C22H35NO4,pos_2MCH3CNNa,377.2566086,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum soongaricum,5143682.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum soongaricum'],6,3,7.5 45213,1640,410,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,HKQZUYOVMYOFIT-DSGMTPGBSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19-,20-,21+,22-/m1/s1",CCN1C[C@@]2(C)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C22H35NO4,pos_2MCH3CNNa,377.2566086,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum karakolicum,44345.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum karakolicum'],6,3,7.5 45214,1640,410,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,HKQZUYOVMYOFIT-ZRNHKMHYSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13?,14+,15-,16+,17-,18+,19?,20+,21+,22?/m1/s1",CCN1C[C@]2(C)CC[C@H](O)C34C1C(C[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C22H35NO4,pos_2MCH3CNNa,377.2566086,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium poltaratzkii,6131764.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium poltaratzkii'],6,3,7.5 45215,1640,410,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,HKQZUYOVMYOFIT-JEJCSOMWSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19-,20+,21+,22-/m1/s1",CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C22H35NO4,pos_2MCH3CNNa,377.2566085999999,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum variegatum,586783.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum variegatum'],6,3,7.5 45216,1640,410,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,HKQZUYOVMYOFIT-ZRNHKMHYSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13?,14+,15-,16+,17-,18+,19?,20+,21+,22?/m1/s1",CCN1C[C@]2(C)CC[C@H](O)C34C1C(C[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C22H35NO4,pos_2MCH3CNNa,377.2566086,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum soongaricum,5143682.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum soongaricum'],6,3,7.5 45217,1640,410,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,HKQZUYOVMYOFIT-JEJCSOMWSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19-,20+,21+,22-/m1/s1",CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C22H35NO4,pos_2MCH3CNNa,377.2566085999999,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium bicolor,591163.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium bicolor'],6,3,7.5 45218,1640,410,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,HKQZUYOVMYOFIT-UHFFFAOYSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3",CCN1CC2(C)CCC(O)C34C5CC6C(OC)CC(O)(C(CC23)C14)C5C6O,C22H35NO4,pos_2MCH3CNNa,377.2566086,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum kusnezoffii,141633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum kusnezoffii'],6,3,7.5 45219,1640,410,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,HKQZUYOVMYOFIT-UHFFFAOYSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3",CCN1CC2(C)CCC(O)C34C5CC6C(OC)CC(O)(C(CC23)C14)C5C6O,C22H35NO4,pos_2MCH3CNNa,377.2566086,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum carmichaeli,549536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum carmichaelii'],6,3,7.5 45220,1640,410,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,HKQZUYOVMYOFIT-JEJCSOMWSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19-,20+,21+,22-/m1/s1",CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C22H35NO4,pos_2MCH3CNNa,377.2566085999999,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum lethale,6131432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum lethale'],6,3,7.5 45221,1640,410,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,HKQZUYOVMYOFIT-JEJCSOMWSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19-,20+,21+,22-/m1/s1",CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C22H35NO4,pos_2MCH3CNNa,377.2566085999999,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum falconeri,6131385.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum falconeri'],6,3,7.5 45222,1640,410,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,HKQZUYOVMYOFIT-JEJCSOMWSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19-,20+,21+,22-/m1/s1",CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C22H35NO4,pos_2MCH3CNNa,377.2566085999999,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium bicolor,591163.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium bicolor'],6,3,7.5 45223,1640,410,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,HKQZUYOVMYOFIT-UHFFFAOYSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3",CCN1CC2(C)CCC(O)C34C5CC6C(OC)CC(O)(C(CC23)C14)C5C6O,C22H35NO4,pos_2MCH3CNNa,377.2566086,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum japonicum,5511352.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum japonicum'],6,3,7.5 45224,1640,410,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,HKQZUYOVMYOFIT-VHNBHZRZSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19?,20+,21+,22-/m1/s1",CCN1C[C@]2(C)CC[C@H](O)[C@]34C1[C@H](C[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C22H35NO4,pos_2MCH3CNNa,377.2566085999999,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium davisii,6131635.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium davisii'],6,3,7.5 45225,1640,410,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,HKQZUYOVMYOFIT-ZRNHKMHYSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13?,14+,15-,16+,17-,18+,19?,20+,21+,22?/m1/s1",CCN1C[C@]2(C)CC[C@H](O)C34C1C(C[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C22H35NO4,pos_2MCH3CNNa,377.2566086,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium nuttallianum,643524.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium nuttallianum'],6,3,7.5 45226,1640,410,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,HKQZUYOVMYOFIT-ZRNHKMHYSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13?,14+,15-,16+,17-,18+,19?,20+,21+,22?/m1/s1",CCN1C[C@]2(C)CC[C@H](O)C34C1C(C[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C22H35NO4,pos_2MCH3CNNa,377.2566086,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum vilmorinianum,976183.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum vilmorinianum'],6,3,7.5 45227,1640,410,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,HKQZUYOVMYOFIT-UHFFFAOYSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3",CCN1CC2(C)CCC(O)C34C5CC6C(OC)CC(O)(C(CC23)C14)C5C6O,C22H35NO4,pos_2MCH3CNNa,377.2566086,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum napellus,586780.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum napellus'],6,3,7.5 45228,1640,410,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,HKQZUYOVMYOFIT-JEJCSOMWSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19-,20+,21+,22-/m1/s1",CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C22H35NO4,pos_2MCH3CNNa,377.2566085999999,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium crispulum,309502.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium crispulum'],6,3,7.5 45229,1640,410,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,HKQZUYOVMYOFIT-JEJCSOMWSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19-,20+,21+,22-/m1/s1",CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C22H35NO4,pos_2MCH3CNNa,377.2566085999999,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium pentagynum,782529.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium pentagynum'],6,3,7.5 45230,1640,410,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,HKQZUYOVMYOFIT-DSGMTPGBSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19-,20-,21+,22-/m1/s1",CCN1C[C@@]2(C)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C22H35NO4,pos_2MCH3CNNa,377.2566086,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum karakolicum,44345.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum karakolicum'],6,3,7.5 45231,1640,410,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,HKQZUYOVMYOFIT-ZRNHKMHYSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13?,14+,15-,16+,17-,18+,19?,20+,21+,22?/m1/s1",CCN1C[C@]2(C)CC[C@H](O)C34C1C(C[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C22H35NO4,pos_2MCH3CNNa,377.2566086,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium poltaratzkii,6131764.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium poltaratzkii'],6,3,7.5 45232,1640,410,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,HKQZUYOVMYOFIT-JEJCSOMWSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19-,20+,21+,22-/m1/s1",CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C22H35NO4,pos_2MCH3CNNa,377.2566085999999,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum variegatum,586783.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum variegatum'],6,3,7.5 45233,1640,410,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,HKQZUYOVMYOFIT-UHFFFAOYSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3",CCN1CC2(C)CCC(O)C34C5CC6C(OC)CC(O)(C(CC23)C14)C5C6O,C22H35NO4,pos_2MCH3CNNa,377.2566086,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum carmichaelii,549536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum carmichaelii'],6,3,7.5 45234,1640,410,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,MDCQBGQVDRLEGB-SZDRHTRBSA-N,"InChI=1S/C22H35NO4/c1-4-23-11-19(2)7-6-15(27-3)22-14(19)9-13(18(22)23)20(25)8-5-12-10-21(22,26)17(20)16(12)24/h12-18,24-26H,4-11H2,1-3H3/t12-,13-,14+,15-,16-,17+,18+,19-,20-,21-,22-/m0/s1",CCN1C[C@]2(C)CC[C@H](OC)[C@@]34[C@@H]2C[C@@H]([C@@H]13)[C@@]1(O)CC[C@H]2C[C@]4(O)[C@@H]1[C@H]2O,C22H35NO4,pos_2MCH3CNNa,377.2566086,MDCQBGQVDRLEGB,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum racemulosum,892121.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum racemulosum'],6,3,7.5 45187,1636,904,,,,0.39191842,ISDB,,,,,,,AEOPOJXVDKIMSQ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.567673683166504 45183,1634,-1,,,,0.0,MS1_match,XCGZLOPHNCJNRF-OXCLCMQMSA-N,"InChI=1S/C17H28O4/c1-9-6-13(19)15-11(9)7-12-14(20-10(2)18)8-17(15,5)21-16(12,3)4/h9,11-15,19H,6-8H2,1-5H3/t9-,11-,12+,13-,14+,15+,17+/m1/s1",CC(=O)O[C@H]1C[C@]2(C)OC(C)(C)[C@H]1C[C@H]1[C@H]2[C@H](O)C[C@H]1C,C17H28O4,pos_2MHNH3,296.198759376,XCGZLOPHNCJNRF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 45184,1634,-1,,,,0.0,MS1_match,XCGZLOPHNCJNRF-OXCLCMQMSA-N,"InChI=1S/C17H28O4/c1-9-6-13(19)15-11(9)7-12-14(20-10(2)18)8-17(15,5)21-16(12,3)4/h9,11-15,19H,6-8H2,1-5H3/t9-,11-,12+,13-,14+,15+,17+/m1/s1",CC(=O)O[C@H]1C[C@]2(C)OC(C)(C)[C@H]1C[C@H]1[C@H]2[C@H](O)C[C@H]1C,C17H28O4,pos_2MHNH3,296.198759376,XCGZLOPHNCJNRF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Valeriana fauriei,228778.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana fauriei'],6,0,6.0 45185,1634,-1,,,,0.0,MS1_match,KSJYGLBFXLTFDO-VQOJOYJTSA-N,"InChI=1S/C17H28O4/c1-9-6-14(20-10(2)18)15-11(9)7-12-13(19)8-17(15,5)21-16(12,3)4/h9,11-15,19H,6-8H2,1-5H3/t9-,11-,12+,13+,14-,15+,17+/m1/s1",CC(=O)O[C@@H]1C[C@@H](C)[C@H]2C[C@H]3[C@@H](O)C[C@](C)(OC3(C)C)[C@@H]21,C17H28O4,pos_2MHNH3,296.198759376,KSJYGLBFXLTFDO,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 45186,1634,-1,,,,0.0,MS1_match,KSJYGLBFXLTFDO-VQOJOYJTSA-N,"InChI=1S/C17H28O4/c1-9-6-14(20-10(2)18)15-11(9)7-12-13(19)8-17(15,5)21-16(12,3)4/h9,11-15,19H,6-8H2,1-5H3/t9-,11-,12+,13+,14-,15+,17+/m1/s1",CC(=O)O[C@@H]1C[C@@H](C)[C@H]2C[C@H]3[C@@H](O)C[C@](C)(OC3(C)C)[C@@H]21,C17H28O4,pos_2MHNH3,296.198759376,KSJYGLBFXLTFDO,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Valeriana fauriei,228778.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana fauriei'],6,0,6.0 45176,1633,-1,,,,0.0,MS1_match,TZZAKSLHHIJRLL-UHFFFAOYSA-N,"InChI=1S/C8H9NO3/c1-12-7-4-5(8(9)11)2-3-6(7)10/h2-4,10H,1H3,(H2,9,11)",COc1cc(C(N)=O)ccc1O,C8H9NO3,pos_2MH,167.058243148,TZZAKSLHHIJRLL,Alkaloids,Peptide alkaloids,Simple amide alkaloids,Naravelia zeylanica,274607.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Naravelia'],['Naravelia zeylanica'],7,0,7.0 45174,1629,228,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,KQFJWNFKSIQXPX-PYJJOTKASA-N,"InChI=1S/C22H35NO7/c1-4-23-9-19(26)6-5-13(24)21-11-7-10-12(29-2)8-20(27,14(11)15(10)25)22(28,18(21)23)17(30-3)16(19)21/h10-18,24-28H,4-9H2,1-3H3/t10-,11-,12+,13+,14-,15+,16-,17+,18+,19-,20-,21+,22-/m1/s1",CCN1C[C@]2(O)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C22H35NO7,pos_2MCH3CNNa,425.24135246,KQFJWNFKSIQXPX,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium scabriflorum,6131796.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium scabriflorum'],6,0,6.0 45175,1629,228,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,KQFJWNFKSIQXPX-JBVFEIDLSA-N,"InChI=1S/C22H35NO7/c1-4-23-9-19(26)6-5-13(24)21-11-7-10-12(29-2)8-20(27,14(11)15(10)25)22(28,18(21)23)17(30-3)16(19)21/h10-18,24-28H,4-9H2,1-3H3/t10-,11-,12+,13+,14-,15-,16-,17+,18+,19-,20-,21+,22-/m1/s1",CCN1C[C@]2(O)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14,C22H35NO7,pos_2MCH3CNNa,425.24135246,KQFJWNFKSIQXPX,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium potaninii var. bonvalotii,274603.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium bonvalotii'],6,0,6.0 45130,1626,-1,,,,0.0,MS1_match,CSKKDSFETGLMSB-NRZPKYKESA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11-,12-,13+,14-,16+,17+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC=O,C17H24O10,pos_1_1potassium,388.1369469679999,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera tatarica,980069.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],8,0,8.0 45131,1626,-1,,,,0.0,MS1_match,CSKKDSFETGLMSB-QOMIBOLPSA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11-,12-,13+,14-,16+,17-/m1/s1",C=C[C@H]1[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC=O,C17H24O10,pos_1_1potassium,388.136946968,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera periclymenum,811893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera periclymenum'],8,0,8.0 45132,1626,-1,,,,0.0,MS1_match,CSKKDSFETGLMSB-UHFFFAOYSA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC=O,C17H24O10,pos_1_1potassium,388.1369469679999,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera morrowii,484242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],8,0,8.0 45133,1626,-1,,,,0.0,MS1_match,CSKKDSFETGLMSB-NRZPKYKESA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11-,12-,13+,14-,16+,17+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC=O,C17H24O10,pos_1_1potassium,388.1369469679999,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera tatarica,980069.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],8,0,8.0 45134,1626,-1,,,,0.0,MS1_match,LPOVXLVQNSEZGE-PMRPVAAPSA-N,"InChI=1S/C17H24O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,10-14,16-18,20-22H,3-4H2,1-2H3/t6-,7+,10+,11+,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1CC(=O)[C@@H]2C,C17H24O10,pos_1_1potassium,388.1369469679999,LPOVXLVQNSEZGE,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera morrowii,484242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],8,0,8.0 45135,1626,-1,,,,0.0,MS1_match,CSKKDSFETGLMSB-QOMIBOLPSA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11-,12-,13+,14-,16+,17-/m1/s1",C=C[C@H]1[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC=O,C17H24O10,pos_1_1potassium,388.136946968,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera periclymenum,811893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera periclymenum'],8,0,8.0 45136,1626,-1,,,,0.0,MS1_match,LPOVXLVQNSEZGE-PMRPVAAPSA-N,"InChI=1S/C17H24O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,10-14,16-18,20-22H,3-4H2,1-2H3/t6-,7+,10+,11+,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1CC(=O)[C@@H]2C,C17H24O10,pos_1_1potassium,388.1369469679999,LPOVXLVQNSEZGE,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera morrowii,484242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],8,0,8.0 45137,1626,-1,,,,0.0,MS1_match,CSKKDSFETGLMSB-UHFFFAOYSA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC=O,C17H24O10,pos_1_1potassium,388.1369469679999,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera morrowii,484242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],8,0,8.0 45050,1624,-1,,,,0.6708951,ISDB,BSQFXUQGLXURQM-NJAFHUGGSA-N,"InChI=1S/C18H24O3/c1-11-8-12-4-5-15-16(2,3)18(20)7-6-17(15,10-21-18)13(12)9-14(11)19/h8-9,15,19-20H,4-7,10H2,1-3H3/t15-,17+,18+/m1/s1",Cc1cc2c(cc1O)[C@]13CC[C@](O)(OC1)C(C)(C)[C@H]3CC2,C18H24O3,,288.172544628,BSQFXUQGLXURQM,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Micrandropsis scleroxylon,603561.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Micrandreae'],['Micrandropsis'],['Micrandropsis scleroxylon'],4,0,6.68358039855957 44996,1623,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.6292564,ISDB,WECGLUPZRHILCT-KKFOGOCZSA-N,"InChI=1S/C21H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h6-7,9-10,20,22-23H,2-5,8,11-19H2,1H3/b7-6-,10-9-/t20-/m1/s1",CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](O)CO,C21H38O4,,354.27700969599994,WECGLUPZRHILCT,Fatty acids,Glycerolipids,Monoacylglycerols,Panax ginseng,524063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax ginseng'],4,3,8.017025709152222 44997,1623,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.6292564,ISDB,WECGLUPZRHILCT-KKFOGOCZSA-N,"InChI=1S/C21H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h6-7,9-10,20,22-23H,2-5,8,11-19H2,1H3/b7-6-,10-9-/t20-/m1/s1",CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](O)CO,C21H38O4,,354.27700969599994,WECGLUPZRHILCT,Fatty acids,Glycerolipids,Monoacylglycerols,Mirabilis himalaica,985176.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Nyctaginaceae'],['Unknown'],['Mirabilis'],['Mirabilis himalaica'],4,3,8.017025709152222 44998,1623,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.6292564,ISDB,WECGLUPZRHILCT-RISUCRHXSA-N,"InChI=1S/C21H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h6-7,9-10,20,22-23H,2-5,8,11-19H2,1H3/b7-6+,10-9+/t20-/m1/s1",CCCCC/C=C/C/C=C/CCCCCCCC(=O)OC[C@H](O)CO,C21H38O4,,354.27700969599994,WECGLUPZRHILCT,Fatty acids,Glycerolipids,Monoacylglycerols,Bauhinia purpurea,560318.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Cercideae'],['Bauhinia'],['Bauhinia purpurea'],4,3,8.017025709152222 44999,1623,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.6292564,ISDB,WECGLUPZRHILCT-IHNKIBRCSA-N,"InChI=1S/C21H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h6-7,9-10,20,22-23H,2-5,8,11-19H2,1H3/b7-6+,10-9-/t20-/m1/s1",CCCCC/C=C/C/C=C\CCCCCCCC(=O)OC[C@H](O)CO,C21H38O4,,354.277009696,WECGLUPZRHILCT,Fatty acids,Glycerolipids,Monoacylglycerols,Hyoscyamus niger,822716.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Hyoscyamus'],['Hyoscyamus niger'],4,3,8.017025709152222 45000,1623,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.6292564,ISDB,WECGLUPZRHILCT-UHFFFAOYSA-N,"InChI=1S/C21H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h6-7,9-10,20,22-23H,2-5,8,11-19H2,1H3",CCCCCC=CCC=CCCCCCCCC(=O)OCC(O)CO,C21H38O4,,354.27700969599994,WECGLUPZRHILCT,Fatty acids,Glycerolipids,Monoacylglycerols,Bauhinia,560314.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Cercideae'],['Bauhinia'],['Unknown'],4,3,8.017025709152222 45001,1623,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.6292564,ISDB,WECGLUPZRHILCT-KKFOGOCZSA-N,"InChI=1S/C21H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h6-7,9-10,20,22-23H,2-5,8,11-19H2,1H3/b7-6-,10-9-/t20-/m1/s1",CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](O)CO,C21H38O4,,354.27700969599994,WECGLUPZRHILCT,Fatty acids,Glycerolipids,Monoacylglycerols,Saururus chinensis,154036.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Saururaceae'],['Unknown'],['Saururus'],['Saururus chinensis'],4,3,8.017025709152222 45002,1623,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.6292564,ISDB,WECGLUPZRHILCT-HZJYTTRNSA-N,"InChI=1S/C21H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h6-7,9-10,20,22-23H,2-5,8,11-19H2,1H3/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC(O)CO,C21H38O4,,354.277009696,WECGLUPZRHILCT,Fatty acids,Glycerolipids,Monoacylglycerols,Nelumbo nucifera,532288.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Proteales'],['Nelumbonaceae'],['Unknown'],['Nelumbo'],['Nelumbo nucifera'],4,3,8.017025709152222 45003,1623,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.6292564,ISDB,WECGLUPZRHILCT-HZJYTTRNSA-N,"InChI=1S/C21H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h6-7,9-10,20,22-23H,2-5,8,11-19H2,1H3/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC(O)CO,C21H38O4,,354.277009696,WECGLUPZRHILCT,Fatty acids,Glycerolipids,Monoacylglycerols,Saposhnikovia divaricata,737496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Selineae'],['Saposhnikovia'],['Saposhnikovia divaricata'],4,3,8.017025709152222 45004,1623,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.6292564,ISDB,WECGLUPZRHILCT-RISUCRHXSA-N,"InChI=1S/C21H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h6-7,9-10,20,22-23H,2-5,8,11-19H2,1H3/b7-6+,10-9+/t20-/m1/s1",CCCCC/C=C/C/C=C/CCCCCCCC(=O)OC[C@H](O)CO,C21H38O4,,354.27700969599994,WECGLUPZRHILCT,Fatty acids,Glycerolipids,Monoacylglycerols,Bhesa paniculata,1079062.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Centroplacaceae'],['Unknown'],['Bhesa'],['Bhesa paniculata'],4,3,8.017025709152222 45005,1623,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.6292564,ISDB,WECGLUPZRHILCT-KKFOGOCZSA-N,"InChI=1S/C21H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h6-7,9-10,20,22-23H,2-5,8,11-19H2,1H3/b7-6-,10-9-/t20-/m1/s1",CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](O)CO,C21H38O4,,354.27700969599994,WECGLUPZRHILCT,Fatty acids,Glycerolipids,Monoacylglycerols,Premna microphylla,503286.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Premna'],['Premna microphylla'],4,3,8.017025709152222 45006,1623,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.6292564,ISDB,WECGLUPZRHILCT-KKFOGOCZSA-N,"InChI=1S/C21H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h6-7,9-10,20,22-23H,2-5,8,11-19H2,1H3/b7-6-,10-9-/t20-/m1/s1",CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](O)CO,C21H38O4,,354.27700969599994,WECGLUPZRHILCT,Fatty acids,Glycerolipids,Monoacylglycerols,Adenocaulon himalaicum,935632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Mutisieae'],['Adenocaulon'],['Adenocaulon himalaicum'],4,3,8.017025709152222 45007,1623,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.6292564,ISDB,WECGLUPZRHILCT-KKFOGOCZSA-N,"InChI=1S/C21H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h6-7,9-10,20,22-23H,2-5,8,11-19H2,1H3/b7-6-,10-9-/t20-/m1/s1",CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](O)CO,C21H38O4,,354.27700969599994,WECGLUPZRHILCT,Fatty acids,Glycerolipids,Monoacylglycerols,Hernandia ovigera,1072062.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Hernandiaceae'],['Unknown'],['Hernandia'],['Hernandia ovigera'],4,3,8.017025709152222 45008,1623,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.6292564,ISDB,WECGLUPZRHILCT-KKFOGOCZSA-N,"InChI=1S/C21H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h6-7,9-10,20,22-23H,2-5,8,11-19H2,1H3/b7-6-,10-9-/t20-/m1/s1",CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](O)CO,C21H38O4,,354.27700969599994,WECGLUPZRHILCT,Fatty acids,Glycerolipids,Monoacylglycerols,Hernandia guianensis,373836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Hernandiaceae'],['Unknown'],['Hernandia'],['Hernandia guianensis'],4,3,8.017025709152222 45009,1623,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.6292564,ISDB,WECGLUPZRHILCT-KKFOGOCZSA-N,"InChI=1S/C21H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h6-7,9-10,20,22-23H,2-5,8,11-19H2,1H3/b7-6-,10-9-/t20-/m1/s1",CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](O)CO,C21H38O4,,354.27700969599994,WECGLUPZRHILCT,Fatty acids,Glycerolipids,Monoacylglycerols,Vitex agnus-castus,988127.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Vitex'],['Vitex agnus-castus'],4,3,8.017025709152222 45010,1623,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.6292564,ISDB,WECGLUPZRHILCT-HZJYTTRNSA-N,"InChI=1S/C21H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h6-7,9-10,20,22-23H,2-5,8,11-19H2,1H3/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC(O)CO,C21H38O4,,354.277009696,WECGLUPZRHILCT,Fatty acids,Glycerolipids,Monoacylglycerols,Pseudostellaria heterophylla,698777.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Alsineae'],['Pseudostellaria'],['Pseudostellaria heterophylla'],4,3,8.017025709152222 45011,1623,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.6292564,ISDB,WECGLUPZRHILCT-KKFOGOCZSA-N,"InChI=1S/C21H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h6-7,9-10,20,22-23H,2-5,8,11-19H2,1H3/b7-6-,10-9-/t20-/m1/s1",CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](O)CO,C21H38O4,,354.27700969599994,WECGLUPZRHILCT,Fatty acids,Glycerolipids,Monoacylglycerols,Polyalthia longifolia,204189.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Miliuseae'],['Monoon'],['Monoon longifolium'],4,3,8.017025709152222 44965,1621,15,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,0.0,MS1_match,CDKNUBLSEZJSAU-YIXWCVDNSA-N,"InChI=1S/C20H30O5/c1-17(15(21)22)7-3-8-20(16(23)24)13(17)6-9-19-10-12(4-5-14(19)20)18(2,25)11-19/h12-14,25H,3-11H2,1-2H3,(H,21,22)(H,23,24)/t12-,13-,14-,17-,18-,19+,20+/m1/s1",C[C@@]1(C(=O)O)CCC[C@@]2(C(=O)O)[C@@H]3CC[C@@H]4C[C@@]3(CC[C@@H]21)C[C@@]4(C)O,C20H30O5,pos_1_1proton1methanol,350.20932406,CDKNUBLSEZJSAU,Terpenoids,Diterpenoids,Gibberellins,Tripterygium wilfordii,300831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium wilfordii'],6,1,6.5 44941,1618,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.6375655,ISDB,LBRCZJOEFVTDQU-UHFFFAOYSA-N,"InChI=1S/C12H16O5/c1-7(13)12(15-3)8-4-10-11(17-6-16-10)5-9(8)14-2/h4-5,7,12-13H,6H2,1-3H3",COc1cc2c(cc1C(OC)C(C)O)OCO2,C12H16O5,,240.099773612,LBRCZJOEFVTDQU,Shikimates and Phenylpropanoids,,,Chloranthus serratus,569909.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Chloranthales'],['Chloranthaceae'],['Unknown'],['Chloranthus'],['Chloranthus serratus'],4,0,6.550261974334717 44938,1616,683,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,DBANWUMRYUJBKJ-SRUNSHPASA-N,"InChI=1S/C36H58O7/c1-20-26(37)27(38)28(39)29(42-20)43-25-12-13-33(6)23(32(25,4)5)11-14-35(8)24(33)10-9-21-22-19-31(2,3)15-17-36(22,30(40)41)18-16-34(21,35)7/h9,20,22-29,37-39H,10-19H2,1-8H3,(H,40,41)/t20-,22-,23-,24+,25-,26-,27+,28+,29-,33-,34+,35+,36-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2CC[C@]3(C)[C@H]4CC=C5[C@@H]6CC(C)(C)CC[C@]6(C(=O)O)CC[C@@]5(C)[C@]4(C)CC[C@H]3C2(C)C)[C@H](O)[C@H](O)[C@H]1O,C36H58O7,pos_1_1sodium1acetonitrile,602.418254196,DBANWUMRYUJBKJ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Anemone narcissiflora,896053.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Anemone'],['Anemone narcissiflora'],7,3,8.5 44939,1616,683,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,DBANWUMRYUJBKJ-SRUNSHPASA-N,"InChI=1S/C36H58O7/c1-20-26(37)27(38)28(39)29(42-20)43-25-12-13-33(6)23(32(25,4)5)11-14-35(8)24(33)10-9-21-22-19-31(2,3)15-17-36(22,30(40)41)18-16-34(21,35)7/h9,20,22-29,37-39H,10-19H2,1-8H3,(H,40,41)/t20-,22-,23-,24+,25-,26-,27+,28+,29-,33-,34+,35+,36-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2CC[C@]3(C)[C@H]4CC=C5[C@@H]6CC(C)(C)CC[C@]6(C(=O)O)CC[C@@]5(C)[C@]4(C)CC[C@H]3C2(C)C)[C@H](O)[C@H](O)[C@H]1O,C36H58O7,pos_1_1sodium1acetonitrile,602.418254196,DBANWUMRYUJBKJ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Anemone multifida,896056.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Anemone'],['Anemone multifida'],7,3,8.5 44940,1616,683,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,DBANWUMRYUJBKJ-SRUNSHPASA-N,"InChI=1S/C36H58O7/c1-20-26(37)27(38)28(39)29(42-20)43-25-12-13-33(6)23(32(25,4)5)11-14-35(8)24(33)10-9-21-22-19-31(2,3)15-17-36(22,30(40)41)18-16-34(21,35)7/h9,20,22-29,37-39H,10-19H2,1-8H3,(H,40,41)/t20-,22-,23-,24+,25-,26-,27+,28+,29-,33-,34+,35+,36-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2CC[C@]3(C)[C@H]4CC=C5[C@@H]6CC(C)(C)CC[C@]6(C(=O)O)CC[C@@]5(C)[C@]4(C)CC[C@H]3C2(C)C)[C@H](O)[C@H](O)[C@H]1O,C36H58O7,pos_1_1sodium1acetonitrile,602.418254196,DBANWUMRYUJBKJ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Anemonastrum narcissiflorum,896053.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Anemone'],['Anemone narcissiflora'],7,3,8.5 44937,1615,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.52844065,ISDB,,,,,,,ZCSPMSRILJREOV,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.113762617111206 44935,1614,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.81906223,ISDB,JSKJPUCKVIJTKI-UHFFFAOYSA-N,"InChI=1S/C22H43O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(26)29-17-21(25)19-31-32(27,28)30-18-20(24)16-23/h7-8,20-21,23-25H,2-6,9-19H2,1H3,(H,27,28)",CCCCCCC=CCCCCCCCC(=O)OCC(O)COP(=O)(O)OCC(O)CO,C22H43O9P,,482.2644695859999,JSKJPUCKVIJTKI,Fatty acids,Glycerophospholipids,Glycerophosphoglycerols,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],4,1,7.776248931884766 44876,1613,417,Fatty acids,Diterpenoids,Norkaurane diterpenoids,0.6128241,ISDB,WTLVYAWQAPUBFY-UTLPMFLDSA-N,"InChI=1S/C18H28O4/c1-2-3-4-6-11-16(19)13-9-10-14-17(20)12-7-5-8-15-18(21)22/h9-10,13-14H,2-8,11-12,15H2,1H3,(H,21,22)/b13-9+,14-10+",CCCCCCC(=O)/C=C/C=C/C(=O)CCCCCC(=O)O,C18H28O4,,308.198759376,WTLVYAWQAPUBFY,Fatty acids,Octadecanoids,Other Octadecanoids,Ostodes paniculata,1028448.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Codiaeae'],['Ostodes'],['Ostodes paniculata'],4,1,6.951296329498291 44818,1612,-1,,,,0.66873705,ISDB,LFBLHUGGKDXXJU-CGTCWAPVSA-N,"InChI=1S/C30H42O4/c1-17(2)15-20-22-19(5)9-13-26-14-10-21-25(6,7)11-8-12-27(21,33)16-28(22,26)24(32)30(20)29(34-30,18(3)4)23(26)31/h9,15,18,20-22,33H,8,10-14,16H2,1-7H3/t20-,21-,22+,26+,27-,28+,29-,30+/m0/s1",CC(C)=C[C@H]1[C@H]2C(C)=CC[C@]34CC[C@H]5C(C)(C)CCC[C@]5(O)C[C@]23C(=O)[C@]12O[C@@]2(C(C)C)C4=O,C30H42O4,,466.308309824,LFBLHUGGKDXXJU,Terpenoids,Diterpenoids,Abietane diterpenoids,Salvia abrotanoides,305923.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia abrotanoides'],4,0,6.674948215484619 44819,1612,-1,,,,0.66873705,ISDB,LFBLHUGGKDXXJU-CGTCWAPVSA-N,"InChI=1S/C30H42O4/c1-17(2)15-20-22-19(5)9-13-26-14-10-21-25(6,7)11-8-12-27(21,33)16-28(22,26)24(32)30(20)29(34-30,18(3)4)23(26)31/h9,15,18,20-22,33H,8,10-14,16H2,1-7H3/t20-,21-,22+,26+,27-,28+,29-,30+/m0/s1",CC(C)=C[C@H]1[C@H]2C(C)=CC[C@]34CC[C@H]5C(C)(C)CCC[C@]5(O)C[C@]23C(=O)[C@]12O[C@@]2(C(C)C)C4=O,C30H42O4,,466.308309824,LFBLHUGGKDXXJU,Terpenoids,Diterpenoids,Abietane diterpenoids,Salvia bucharica,448587.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia bucharica'],4,0,6.674948215484619 44813,1607,639,Terpenoids,Sesquiterpenoids,Menthane monoterpenoids,0.3815572,ISDB,DGDRPKUDABZVDM-UHFFFAOYSA-N,"InChI=1S/C13H18O3/c1-8(2)11-7-12(15-5)9(3)6-13(11)16-10(4)14/h6-8H,1-5H3",COc1cc(C(C)C)c(OC(C)=O)cc1C,C13H18O3,,222.125594436,DGDRPKUDABZVDM,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Baccharis dracunculifolia,482153.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis dracunculifolia'],4,3,7.0262287855148315 44801,1606,-1,,,,0.0,MS1_match,MRJOSYQMJVDQDS-UHFFFAOYSA-N,"InChI=1S/C39H60O11/c1-19(16-22(47-20(2)40)32-35(6,7)50-32)27-29(43)31(45)37(9)25-11-10-24-34(4,5)26(12-13-38(24)18-39(25,38)15-14-36(27,37)8)49-33-30(44)28(42)23(17-46-33)48-21(3)41/h19,22-28,30-33,42,44-45H,10-18H2,1-9H3",CC(=O)OC1COC(OC2CCC34CC35CCC3(C)C(C(C)CC(OC(C)=O)C6OC6(C)C)C(=O)C(O)C3(C)C5CCC4C2(C)C)C(O)C1O,C39H60O11,pos_1_1proton2acetonitrile,704.41356274,MRJOSYQMJVDQDS,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Actaea racemosa,512702.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea racemosa'],6,0,6.0 44802,1606,-1,,,,0.0,MS1_match,DEEGQLBLXWGMCY-HNGFUVDTSA-N,"InChI=1S/C39H60O11/c1-19-16-23-30(34(6,7)48-21(3)41)50-39(49-23)29(19)35(8)14-15-38-18-37(38)13-12-26(47-31-28(46-20(2)40)27(43)22(42)17-45-31)33(4,5)24(37)10-11-25(38)36(35,9)32(39)44/h19,22-32,42-44H,10-18H2,1-9H3/t19-,22+,23-,24+,25+,26+,27+,28-,29-,30+,31+,32-,35-,36-,37-,38+,39+/m1/s1",CC(=O)O[C@H]1[C@H](O[C@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@H]6[C@H](C)C[C@H]7O[C@@]6(O[C@@H]7C(C)(C)OC(C)=O)[C@H](O)[C@@]3(C)[C@@H]5CC[C@H]4C2(C)C)OC[C@H](O)[C@@H]1O,C39H60O11,pos_1_1proton2acetonitrile,704.41356274,DEEGQLBLXWGMCY,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Actaea elata,988729.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea elata'],6,0,6.0 44803,1606,-1,,,,0.0,MS1_match,DEEGQLBLXWGMCY-HNGFUVDTSA-N,"InChI=1S/C39H60O11/c1-19-16-23-30(34(6,7)48-21(3)41)50-39(49-23)29(19)35(8)14-15-38-18-37(38)13-12-26(47-31-28(46-20(2)40)27(43)22(42)17-45-31)33(4,5)24(37)10-11-25(38)36(35,9)32(39)44/h19,22-32,42-44H,10-18H2,1-9H3/t19-,22+,23-,24+,25+,26+,27+,28-,29-,30+,31+,32-,35-,36-,37-,38+,39+/m1/s1",CC(=O)O[C@H]1[C@H](O[C@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@H]6[C@H](C)C[C@H]7O[C@@]6(O[C@@H]7C(C)(C)OC(C)=O)[C@H](O)[C@@]3(C)[C@@H]5CC[C@H]4C2(C)C)OC[C@H](O)[C@@H]1O,C39H60O11,pos_1_1proton2acetonitrile,704.41356274,DEEGQLBLXWGMCY,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Actaea cimicifuga,988720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea cimicifuga'],6,0,6.0 44804,1606,-1,,,,0.0,MS1_match,DEEGQLBLXWGMCY-SDUBGERUSA-N,"InChI=1S/C39H60O11/c1-19-16-23-30(34(6,7)48-21(3)41)50-39(49-23)29(19)35(8)14-15-38-18-37(38)13-12-26(47-31-28(46-20(2)40)27(43)22(42)17-45-31)33(4,5)24(37)10-11-25(38)36(35,9)32(39)44/h19,22-32,42-44H,10-18H2,1-9H3/t19-,22-,23-,24+,25+,26+,27+,28-,29-,30+,31+,32-,35-,36-,37-,38+,39+/m1/s1",CC(=O)O[C@H]1[C@H](O[C@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@H]6[C@H](C)C[C@H]7O[C@@]6(O[C@@H]7C(C)(C)OC(C)=O)[C@H](O)[C@@]3(C)[C@@H]5CC[C@H]4C2(C)C)OC[C@@H](O)[C@@H]1O,C39H60O11,pos_1_1proton2acetonitrile,704.41356274,DEEGQLBLXWGMCY,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Actaea vaginata,512706.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea vaginata'],6,0,6.0 44805,1606,-1,,,,0.0,MS1_match,RQEFTCPCSKWKPF-SQLYFSCNSA-N,"InChI=1S/C39H60O11/c1-19-16-23-30(34(6,7)48-21(3)41)50-39(49-23)29(19)35(8)14-15-38-18-37(38)13-12-26(47-31-27(43)28(46-20(2)40)22(42)17-45-31)33(4,5)24(37)10-11-25(38)36(35,9)32(39)44/h19,22-32,42-44H,10-18H2,1-9H3/t19-,22-,23-,24+,25+,26+,27-,28+,29-,30+,31+,32-,35-,36-,37-,38+,39+/m1/s1",CC(=O)O[C@@H]1[C@@H](O)[C@H](O[C@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@H]6[C@H](C)C[C@H]7O[C@@]6(O[C@@H]7C(C)(C)OC(C)=O)[C@H](O)[C@@]3(C)[C@@H]5CC[C@H]4C2(C)C)OC[C@H]1O,C39H60O11,pos_1_1proton2acetonitrile,704.4135627400001,RQEFTCPCSKWKPF,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Actaea elata,988729.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea elata'],6,0,6.0 44806,1606,-1,,,,0.0,MS1_match,RQEFTCPCSKWKPF-SQLYFSCNSA-N,"InChI=1S/C39H60O11/c1-19-16-23-30(34(6,7)48-21(3)41)50-39(49-23)29(19)35(8)14-15-38-18-37(38)13-12-26(47-31-27(43)28(46-20(2)40)22(42)17-45-31)33(4,5)24(37)10-11-25(38)36(35,9)32(39)44/h19,22-32,42-44H,10-18H2,1-9H3/t19-,22-,23-,24+,25+,26+,27-,28+,29-,30+,31+,32-,35-,36-,37-,38+,39+/m1/s1",CC(=O)O[C@@H]1[C@@H](O)[C@H](O[C@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@H]6[C@H](C)C[C@H]7O[C@@]6(O[C@@H]7C(C)(C)OC(C)=O)[C@H](O)[C@@]3(C)[C@@H]5CC[C@H]4C2(C)C)OC[C@H]1O,C39H60O11,pos_1_1proton2acetonitrile,704.4135627400001,RQEFTCPCSKWKPF,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Actaea europaea,988733.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea europaea'],6,0,6.0 44807,1606,-1,,,,0.0,MS1_match,RQEFTCPCSKWKPF-SQLYFSCNSA-N,"InChI=1S/C39H60O11/c1-19-16-23-30(34(6,7)48-21(3)41)50-39(49-23)29(19)35(8)14-15-38-18-37(38)13-12-26(47-31-27(43)28(46-20(2)40)22(42)17-45-31)33(4,5)24(37)10-11-25(38)36(35,9)32(39)44/h19,22-32,42-44H,10-18H2,1-9H3/t19-,22-,23-,24+,25+,26+,27-,28+,29-,30+,31+,32-,35-,36-,37-,38+,39+/m1/s1",CC(=O)O[C@@H]1[C@@H](O)[C@H](O[C@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@H]6[C@H](C)C[C@H]7O[C@@]6(O[C@@H]7C(C)(C)OC(C)=O)[C@H](O)[C@@]3(C)[C@@H]5CC[C@H]4C2(C)C)OC[C@H]1O,C39H60O11,pos_1_1proton2acetonitrile,704.4135627400001,RQEFTCPCSKWKPF,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Actaea cimicifuga,988720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea cimicifuga'],6,0,6.0 44808,1606,-1,,,,0.0,MS1_match,RLSVGEYEJKPANX-SDUBGERUSA-N,"InChI=1S/C39H60O11/c1-19-16-22-30(34(6,7)48-21(3)41)50-39(49-22)29(19)35(8)14-15-38-18-37(38)13-12-26(47-31-28(43)27(42)23(17-45-31)46-20(2)40)33(4,5)24(37)10-11-25(38)36(35,9)32(39)44/h19,22-32,42-44H,10-18H2,1-9H3/t19-,22-,23-,24+,25+,26+,27+,28-,29-,30+,31+,32-,35-,36-,37-,38+,39+/m1/s1",CC(=O)O[C@@H]1CO[C@@H](O[C@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@H]6[C@H](C)C[C@H]7O[C@@]6(O[C@@H]7C(C)(C)OC(C)=O)[C@H](O)[C@@]3(C)[C@@H]5CC[C@H]4C2(C)C)[C@H](O)[C@H]1O,C39H60O11,pos_1_1proton2acetonitrile,704.4135627400001,RLSVGEYEJKPANX,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Actaea europaea,988733.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea europaea'],6,0,6.0 44809,1606,-1,,,,0.0,MS1_match,RLSVGEYEJKPANX-SDUBGERUSA-N,"InChI=1S/C39H60O11/c1-19-16-22-30(34(6,7)48-21(3)41)50-39(49-22)29(19)35(8)14-15-38-18-37(38)13-12-26(47-31-28(43)27(42)23(17-45-31)46-20(2)40)33(4,5)24(37)10-11-25(38)36(35,9)32(39)44/h19,22-32,42-44H,10-18H2,1-9H3/t19-,22-,23-,24+,25+,26+,27+,28-,29-,30+,31+,32-,35-,36-,37-,38+,39+/m1/s1",CC(=O)O[C@@H]1CO[C@@H](O[C@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@H]6[C@H](C)C[C@H]7O[C@@]6(O[C@@H]7C(C)(C)OC(C)=O)[C@H](O)[C@@]3(C)[C@@H]5CC[C@H]4C2(C)C)[C@H](O)[C@H]1O,C39H60O11,pos_1_1proton2acetonitrile,704.4135627400001,RLSVGEYEJKPANX,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Actaea cimicifuga,988720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea cimicifuga'],6,0,6.0 44810,1606,-1,,,,0.0,MS1_match,RLSVGEYEJKPANX-SDUBGERUSA-N,"InChI=1S/C39H60O11/c1-19-16-22-30(34(6,7)48-21(3)41)50-39(49-22)29(19)35(8)14-15-38-18-37(38)13-12-26(47-31-28(43)27(42)23(17-45-31)46-20(2)40)33(4,5)24(37)10-11-25(38)36(35,9)32(39)44/h19,22-32,42-44H,10-18H2,1-9H3/t19-,22-,23-,24+,25+,26+,27+,28-,29-,30+,31+,32-,35-,36-,37-,38+,39+/m1/s1",CC(=O)O[C@@H]1CO[C@@H](O[C@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@H]6[C@H](C)C[C@H]7O[C@@]6(O[C@@H]7C(C)(C)OC(C)=O)[C@H](O)[C@@]3(C)[C@@H]5CC[C@H]4C2(C)C)[C@H](O)[C@H]1O,C39H60O11,pos_1_1proton2acetonitrile,704.4135627400001,RLSVGEYEJKPANX,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Actaea elata,988729.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea elata'],6,0,6.0 44811,1606,-1,,,,0.0,MS1_match,HOEACCWXJIUNFZ-PJDTTXJDSA-N,"InChI=1S/C39H60O11/c1-19-16-23(32(35(6,7)45)48-21(3)41)49-29-27(19)36(8)14-15-39-18-38(39)13-12-26(50-33-30(47-20(2)40)28(43)22(42)17-46-33)34(4,5)24(38)10-11-25(39)37(36,9)31(29)44/h19,22-30,32-33,42-43,45H,10-18H2,1-9H3/t19-,22-,23-,24+,25+,26+,27+,28+,29-,30-,32+,33+,36-,37-,38-,39+/m1/s1",CC(=O)O[C@H]1[C@H](O[C@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@H]6[C@H](C)C[C@H]([C@H](OC(C)=O)C(C)(C)O)O[C@H]6C(=O)[C@@]3(C)[C@@H]5CC[C@H]4C2(C)C)OC[C@@H](O)[C@@H]1O,C39H60O11,pos_1_1proton2acetonitrile,704.4135627400001,HOEACCWXJIUNFZ,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Actaea vaginata,512706.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea vaginata'],6,0,6.0 44800,1605,316,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.21686122,ISDB,,,,,,,WISFBGZZZDIQKY,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.8674448728561401 44694,1604,1124,Terpenoids,Sesquiterpenoids,Bufadienolides,0.61071473,ISDB,YGZDWJVKOQPZDX-UHFFFAOYSA-N,"InChI=1S/C12H14O2/c1-7-3-4-10-8(2)5-9(12(13)14)6-11(7)10/h5-7H,3-4H2,1-2H3,(H,13,14)",Cc1cc(C(=O)O)cc2c1CCC2C,C12H14O2,,190.099379688,YGZDWJVKOQPZDX,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Curcuma zedoaria,777750.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Curcuma'],['Curcuma zedoaria'],4,2,7.442858934402466 44681,1603,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.53718984,ISDB,BWISWMPEIXFANG-UHFFFAOYSA-N,"InChI=1S/C21H38O5/c1-2-3-4-5-6-8-11-14-19(24)15-12-9-7-10-13-16-21(25)26-20(17-22)18-23/h6,8,20,22-23H,2-5,7,9-18H2,1H3",CCCCCC=CCCC(=O)CCCCCCCC(=O)OC(CO)CO,C21H38O5,,370.271924316,BWISWMPEIXFANG,Fatty acids,Glycerolipids,Monoacylglycerols,Ipomoea nil,77355.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Convolvulaceae'],['Ipomoeeae'],['Ipomoea'],['Ipomoea nil'],4,3,7.648759365081787 44670,1602,-1,,,,0.0,MS1_match,GHPOIRJQBGGCSC-SPFBNEDVSA-N,"InChI=1S/C25H28O12/c1-2-12-13(8-15-17(19(28)23(33)35-15)11-6-4-3-5-7-11)14(22(31)32)10-34-24(12)37-25-21(30)20(29)18(27)16(9-26)36-25/h2-7,10,12-13,15-16,18,20-21,24-30H,1,8-9H2,(H,31,32)/t12-,13+,15-,16-,18-,20+,21-,24+,25+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)O)[C@H]1C[C@H]1OC(=O)C(O)=C1c1ccccc1,C25H28O12,pos_1_1proton,520.1580763359998,GHPOIRJQBGGCSC,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 44671,1602,-1,,,,0.0,MS1_match,JANONPLUBJJWRY-LDRWPHMTSA-N,"InChI=1S/C25H28O12/c1-2-12-13-8-15(17(19(28)22(31)32)11-6-4-3-5-7-11)35-23(33)14(13)10-34-24(12)37-25-21(30)20(29)18(27)16(9-26)36-25/h2-7,10,12-13,15-16,18,20-21,24-30H,1,8-9H2,(H,31,32)/b19-17+/t12-,13+,15-,16-,18-,20+,21-,24+,25+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)O[C@@H](/C(=C(/O)C(=O)O)c3ccccc3)C[C@H]21,C25H28O12,pos_1_1proton,520.1580763359999,JANONPLUBJJWRY,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 44669,1599,768,Amino acids and Peptides,Small peptides,Dipeptides,0.31506065,ISDB,UWDIQZJVMAKUPJ-LWKPJOBUSA-N,"InChI=1S/C20H30N2O3/c1-6-15(4)18(23)20(25)22(5)17(14(2)3)19(24)21-13-12-16-10-8-7-9-11-16/h7-11,14-15,17H,6,12-13H2,1-5H3,(H,21,24)/t15?,17-/m0/s1",CCC(C)C(=O)C(=O)N(C)[C@H](C(=O)NCCc1ccccc1)C(C)C,C20H30N2O3,,346.22564282,UWDIQZJVMAKUPJ,Amino acids and Peptides,Small peptides,Dipeptides,Xenorhabdus,332312.0,['Bacteria'],['Unknown'],['Proteobacteria'],['Gammaproteobacteria'],['Enterobacteriales'],['Morganellaceae'],['Unknown'],['Xenorhabdus'],['Unknown'],0,3,2.7602425813674927 44652,1598,7,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.4936814,ISDB,KFTJQBMBWGAXNI-HCLFTBTMSA-N,"InChI=1S/C27H34O2/c1-24(2)21-11-13-27-12-10-20(26(4,29)17-27)15-22(27)25(21,3)16-19(23(24)28)14-18-8-6-5-7-9-18/h5-10,12,14,20-22,29H,11,13,15-17H2,1-4H3/b19-14+/t20-,21+,22-,25+,26-,27+/m0/s1",CC1(C)C(=O)/C(=C/c2ccccc2)C[C@]2(C)[C@@H]1CC[C@@]13C=C[C@@H](C[C@H]12)[C@@](C)(O)C3,C27H34O2,,390.255880328,KFTJQBMBWGAXNI,Terpenoids,Diterpenoids,Atisane diterpenoids,Androstachys johnsonii,510615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Picrodendraceae'],['Unknown'],['Androstachys'],['Androstachys johnsonii'],0,1,2.474725604057312 44650,1597,58,Polyketides,Glycerolipids,Glycosyldiacylglycerols,0.6182202,ISDB,MLBWOYIGPAJIRN-UHFFFAOYSA-N,"InChI=1S/C27H47O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(29)37-18-20(28)19-38-40(35,36)39-27-25(33)23(31)22(30)24(32)26(27)34/h3-4,6-7,9-10,20,22-28,30-34H,2,5,8,11-19H2,1H3,(H,35,36)",CCC=CCC=CCC=CCCCCCCCC(=O)OCC(O)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O,C27H47O12P,,594.2805135739998,MLBWOYIGPAJIRN,Fatty acids,Glycerophospholipids,Glycerophosphoinositols,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],4,0,6.472880840301514 44511,1594,679,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,0.5530702,ISDB,HCXQUFPQHLFUCK-RXCZXEIFSA-N,"InChI=1S/C21H34O3/c1-19-8-4-9-20(2,18(23)24-3)16(19)7-10-21-11-14(5-6-17(19)21)15(12-21)13-22/h14-17,22H,4-13H2,1-3H3/t14-,15+,16+,17+,19-,20-,21+/m1/s1",COC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@@]3(CC[C@@H]21)C[C@H]4CO,C21H34O3,,334.250794948,HCXQUFPQHLFUCK,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Baccharis minutiflora,7600036.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis minutiflora'],4,3,7.712280750274658 44512,1594,679,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,0.5530702,ISDB,HCXQUFPQHLFUCK-RXCZXEIFSA-N,"InChI=1S/C21H34O3/c1-19-8-4-9-20(2,18(23)24-3)16(19)7-10-21-11-14(5-6-17(19)21)15(12-21)13-22/h14-17,22H,4-13H2,1-3H3/t14-,15+,16+,17+,19-,20-,21+/m1/s1",COC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@@]3(CC[C@@H]21)C[C@H]4CO,C21H34O3,,334.250794948,HCXQUFPQHLFUCK,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Beyeria leschenaultii,526463.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Ricinocarpeae'],['Beyeria'],['Beyeria leschenaultii'],4,3,7.712280750274658 44493,1591,119,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,BDLLSHRIFPDGQB-AATRIKPKSA-N,"InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h5-6H,2-4,7-17H2,1H3,(H,19,20)/b6-5+",CCCC/C=C/CCCCCCCCCCCC(=O)O,C18H34O2,pos_1_1proton1acetonitrile,282.255880328,BDLLSHRIFPDGQB,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 44490,1585,63,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,CXBGOBGJHGGWIE-ACSXSLCXSA-N,"InChI=1S/C25H32N2O6/c1-6-23-10-7-12-27-13-11-24(19(23)27)17-9-8-16(31-4)14-18(17)26(3)20(24)25(30,22(29)32-5)21(23)33-15(2)28/h7-10,14,19-21,30H,6,11-13H2,1-5H3/t19-,20+,21+,23+,24+,25-/m0/s1",CC[C@]12C=CCN3CC[C@@]4(c5ccc(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32,C25H32N2O6,pos_1_1proton1acetonitrile,456.226036744,CXBGOBGJHGGWIE,Alkaloids,Tryptophan alkaloids,Aspidosperma type,Lonicera morrowii,484242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],7,0,7.0 44489,1584,-1,,,,0.0,MS1_match,QMQFACNPAACIRS-UHFFFAOYSA-N,"InChI=1S/C28H36O6/c1-17(29)21-11-14-28(33)26(21,3)23(34-24(31)18-7-5-4-6-8-18)16-22-25(2)12-10-20(30)15-19(25)9-13-27(22,28)32/h4-8,15,19,21-23,30,32-33H,9-14,16H2,1-3H3",CC(=O)C1CCC2(O)C3(O)CCC4C=C(O)CCC4(C)C3CC(OC(=O)c3ccccc3)C12C,C28H36O6,pos_1_1proton1ethylamine,468.251188872,QMQFACNPAACIRS,Terpenoids,Steroids,Pregnane steroids,Adonis amurensis,243850.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Adonideae'],['Adonis'],['Adonis amurensis'],6,0,6.0 44437,1583,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.6603067,ISDB,QHZLMUACJMDIAE-UHFFFAOYSA-N,"InChI=1S/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h18,20-21H,2-17H2,1H3",CCCCCCCCCCCCCCCC(=O)OCC(O)CO,C19H38O4,,330.277009696,QHZLMUACJMDIAE,Fatty acids,Glycerolipids,Monoacylglycerols,Actaea racemosa,512702.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea racemosa'],6,3,10.141226768493652 44431,1579,1239,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.22400868,ISDB,AKTRFOPOAKDICT-GHHIWPQQSA-N,"InChI=1S/C27H44O16/c1-10(2)3-17(31)43-25-18-12(4-14(30)13(18)5-28)11(7-38-25)8-39-26-24(37)22(35)20(33)16(42-26)9-40-27-23(36)21(34)19(32)15(6-29)41-27/h7,10,12-16,18-30,32-37H,3-6,8-9H2,1-2H3/t12-,13-,14+,15-,16-,18+,19-,20-,21+,22+,23-,24-,25+,26-,27-/m1/s1",CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2C[C@H](O)[C@@H](CO)[C@@H]12,C27H44O16,,624.262935328,AKTRFOPOAKDICT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,3,8.396034717559814 44432,1579,1239,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.22400868,ISDB,AKTRFOPOAKDICT-GHHIWPQQSA-N,"InChI=1S/C27H44O16/c1-10(2)3-17(31)43-25-18-12(4-14(30)13(18)5-28)11(7-38-25)8-39-26-24(37)22(35)20(33)16(42-26)9-40-27-23(36)21(34)19(32)15(6-29)41-27/h7,10,12-16,18-30,32-37H,3-6,8-9H2,1-2H3/t12-,13-,14+,15-,16-,18+,19-,20-,21+,22+,23-,24-,25+,26-,27-/m1/s1",CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2C[C@H](O)[C@@H](CO)[C@@H]12,C27H44O16,,624.262935328,AKTRFOPOAKDICT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana fauriei,228778.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana fauriei'],6,3,8.396034717559814 44429,1578,-1,,,,0.0,MS1_match,IGWDEVSBEKYORK-UHFFFAOYSA-N,"InChI=1S/C16H14O4/c1-10(2)5-7-19-16-11-3-4-15(17)20-14(11)9-13-12(16)6-8-18-13/h3-6,8-9H,7H2,1-2H3",CC(C)=CCOc1c2ccoc2cc2oc(=O)ccc12,C16H14O4,pos_1_1proton1methanol,270.089208928,IGWDEVSBEKYORK,Shikimates and Phenylpropanoids,Coumarins,Furocoumarins,Actaea cimicifuga,988720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea cimicifuga'],6,0,6.0 44430,1578,-1,,,,0.0,MS1_match,IGWDEVSBEKYORK-UHFFFAOYSA-N,"InChI=1S/C16H14O4/c1-10(2)5-7-19-16-11-3-4-15(17)20-14(11)9-13-12(16)6-8-18-13/h3-6,8-9H,7H2,1-2H3",CC(C)=CCOc1c2ccoc2cc2oc(=O)ccc12,C16H14O4,pos_1_1proton1methanol,270.089208928,IGWDEVSBEKYORK,Shikimates and Phenylpropanoids,Coumarins,Furocoumarins,Actaea elata,988729.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea elata'],6,0,6.0 44425,1575,104,Amino acids and Peptides,Small peptides,Dipeptides,0.0,MS1_match,WYJTXYYWNRUUBH-DTWKUNHWSA-N,"InChI=1S/C10H14N2O3/c1-14-10(13)8-4-6-15-9(12-8)7-3-2-5-11-7/h2-3,5,8-9,11-12H,4,6H2,1H3/t8-,9+/m0/s1",COC(=O)[C@@H]1CCO[C@H](c2ccc[nH]2)N1,C10H14N2O3,pos_1_1proton1methanol,210.100442308,WYJTXYYWNRUUBH,Alkaloids,,,Celastrus angulatus,709269.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Celastrus'],['Celastrus angulatus'],6,0,6.0 44423,1574,-1,,,,0.26148275,ISDB,ICYRCNICGBJLGM-HJGDQZAQSA-N,"InChI=1S/C14H25N3O7/c1-6(2)4-8(15)12(21)17-11(7(3)18)13(22)16-9(14(23)24)5-10(19)20/h6-9,11,18H,4-5,15H2,1-3H3,(H,16,22)(H,17,21)(H,19,20)(H,23,24)/t7-,8+,9+,11+/m1/s1",CC(C)C[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)[C@@H](C)O,C14H25N3O7,,347.16925014,ICYRCNICGBJLGM,Amino acids and Peptides,Small peptides,Tripeptides,Trypanosoma brucei,494245.0,['Eukaryota'],['Unknown'],['Unknown'],['Unknown'],['Kinetoplastea'],['Unknown'],['Unknown'],['Trypanosoma'],['Trypanosoma brucei'],1,0,2.0459309816360474 44421,1573,-1,,,,0.26180148,ISDB,,,,,,,OFKABAMHUKOKMV,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.047205924987793 44417,1572,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.5831277,ISDB,PYVRVRFVLRNJLY-MZMPXXGTSA-N,"InChI=1S/C23H46NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)29-20-22(25)21-31-32(27,28)30-19-18-24/h9-10,22,25H,2-8,11-21,24H2,1H3,(H,27,28)/b10-9-/t22-/m1/s1",CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OCCN,C23H46NO7P,,479.301189442,PYVRVRFVLRNJLY,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,Aphis gossypii,1026471.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hemiptera'],['Aphididae'],['Aphidini'],['Aphis'],['Aphis gossypii'],1,1,3.8325107097625732 44418,1572,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.5831277,ISDB,PYVRVRFVLRNJLY-MZMPXXGTSA-N,"InChI=1S/C23H46NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)29-20-22(25)21-31-32(27,28)30-19-18-24/h9-10,22,25H,2-8,11-21,24H2,1H3,(H,27,28)/b10-9-/t22-/m1/s1",CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OCCN,C23H46NO7P,,479.301189442,PYVRVRFVLRNJLY,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,Lysiphlebia japonica,697724.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hymenoptera'],['Braconidae'],['Unknown'],['Lysiphlebia'],['Lysiphlebia japonica'],1,1,3.8325107097625732 44419,1572,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.5831277,ISDB,PYVRVRFVLRNJLY-KTKRTIGZSA-N,"InChI=1S/C23H46NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)29-20-22(25)21-31-32(27,28)30-19-18-24/h9-10,22,25H,2-8,11-21,24H2,1H3,(H,27,28)/b10-9-",CCCCCCCC/C=C\CCCCCCCC(=O)OCC(O)COP(=O)(O)OCCN,C23H46NO7P,,479.301189442,PYVRVRFVLRNJLY,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,Ambystoma mexicanum,984726.0,['Eukaryota'],['Metazoa'],['Chordata'],['Amphibia'],['Caudata'],['Ambystomatidae'],['Unknown'],['Ambystoma'],['Ambystoma mexicanum'],1,1,3.8325107097625732 44416,1569,541,Alkaloids,Monoterpenoids,Aporphine alkaloids,0.0,MS1_match,KVRQAVLXNPXEES-JRQMZCAUSA-N,"InChI=1S/C22H25NO7/c1-23(24)7-6-11-16-14(23)8-13-12(9-15(25-2)20(28-5)19(13)27-4)17(16)21-22(18(11)26-3)30-10-29-21/h9,14H,6-8,10H2,1-5H3/t14-,23?/m0/s1",COc1cc2c(c(OC)c1OC)C[C@H]1c3c(c(OC)c4c(c3-2)OCO4)CC[N+]1(C)[O-],C22H25NO7,pos_1_1proton1ethylamine,415.16310214,KVRQAVLXNPXEES,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Thalictrum simplex,243507.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum simplex'],6,3,7.5 44401,1568,283,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,TYWXNGXVSZRXNA-NVZSGMJQSA-N,"InChI=1S/C11H16O8/c12-3-6-8(14)9(15)10(16)11(19-6)17-4-5-1-2-7(13)18-5/h1-2,5-6,8-12,14-16H,3-4H2/t5-,6+,8+,9-,10+,11+/m0/s1",O=C1C=C[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O1,C11H16O8,pos_2MHNH3,276.084517472,TYWXNGXVSZRXNA,,,,Clematis ligusticifolia,964063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis ligusticifolia'],8,0,8.0 44397,1566,331,Fatty acids,Fatty esters,Wax monoesters,0.0,MS1_match,RBKMRGOHCLRTLZ-KHPPLWFESA-N,"InChI=1S/C21H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h10-11H,3-9,12-20H2,1-2H3/b11-10-",CCCCCCCC/C=C\CCCCCCCCCC(=O)OC,C21H40O2,pos_1_1proton1ammonium,324.30283052,RBKMRGOHCLRTLZ,Fatty acids,Fatty esters,Wax monoesters,Delphinium consolida,756488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida ajacis'],6,3,7.5 44398,1566,331,Fatty acids,Fatty esters,Wax monoesters,0.0,MS1_match,RBKMRGOHCLRTLZ-KHPPLWFESA-N,"InChI=1S/C21H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h10-11H,3-9,12-20H2,1-2H3/b11-10-",CCCCCCCC/C=C\CCCCCCCCCC(=O)OC,C21H40O2,pos_1_1proton1ammonium,324.30283052,RBKMRGOHCLRTLZ,Fatty acids,Fatty esters,Wax monoesters,Consolida regalis,733334.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida regalis'],6,3,7.5 44399,1566,331,Fatty acids,Fatty esters,Wax monoesters,0.0,MS1_match,RBKMRGOHCLRTLZ-KHPPLWFESA-N,"InChI=1S/C21H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h10-11H,3-9,12-20H2,1-2H3/b11-10-",CCCCCCCC/C=C\CCCCCCCCCC(=O)OC,C21H40O2,pos_1_1proton1ammonium,324.30283052,RBKMRGOHCLRTLZ,Fatty acids,Fatty esters,Wax monoesters,Delphinium schmalhausenii,7591251.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium schmalhausenii'],6,3,7.5 44400,1566,331,Fatty acids,Fatty esters,Wax monoesters,0.0,MS1_match,RBKMRGOHCLRTLZ-KHPPLWFESA-N,"InChI=1S/C21H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h10-11H,3-9,12-20H2,1-2H3/b11-10-",CCCCCCCC/C=C\CCCCCCCCCC(=O)OC,C21H40O2,pos_1_1proton1ammonium,324.30283052,RBKMRGOHCLRTLZ,Fatty acids,Fatty esters,Wax monoesters,Delphinium fissum,833960.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium fissum'],6,3,7.5 44294,1565,639,Terpenoids,Sesquiterpenoids,Menthane monoterpenoids,0.64216495,ISDB,BCLYZTYBUNEZFV-MCCGJVOXSA-N,"InChI=1S/C14H20O3/c1-12(2)5-8-6-13(8,3)10-9(7-12)14(4,16)17-11(10)15/h8,16H,5-7H2,1-4H3/t8-,13+,14+/m0/s1",CC1(C)CC2=C(C(=O)O[C@@]2(C)O)[C@]2(C)C[C@@H]2C1,C14H20O3,,236.1412445,BCLYZTYBUNEZFV,Terpenoids,Sesquiterpenoids,Africanane sesquiterpenoids,Porella swartziana,250779.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Jungermanniopsida'],['Porellales'],['Porellaceae'],['Unknown'],['Porella'],['Porella swartziana'],0,2,3.568659782409668 44285,1564,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.87928855,ISDB,MDAXYSXRAMOWLY-UHFFFAOYSA-N,"InChI=1S/C12H16/c1-9-7-10(2)12-6-4-3-5-11(12)8-9/h7-8H,3-6H2,1-2H3",Cc1cc(C)c2c(c1)CCCC2,C12H16,,160.125200512,MDAXYSXRAMOWLY,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Camellia sinensis,1058509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Theaceae'],['Unknown'],['Camellia'],['Camellia sinensis'],4,3,9.017154216766357 44279,1561,200,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.0,MS1_match,XGRBHDJWRPUKMD-DQLDELGASA-N,"InChI=1S/C21H30O4/c1-12(2)14-10-15(23)18-13(19(14)25-5)6-7-16-20(18,3)9-8-17(24)21(16,4)11-22/h10,12,16,22-23H,6-9,11H2,1-5H3/t16-,20+,21-/m0/s1",COc1c(C(C)C)cc(O)c2c1CC[C@H]1[C@@]2(C)CCC(=O)[C@@]1(C)CO,C21H30O4,pos_2MCH3CNNa,346.21440943999994,XGRBHDJWRPUKMD,Terpenoids,Diterpenoids,Abietane diterpenoids,Tripterygium wilfordii,300831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium wilfordii'],6,0,6.0 44280,1561,200,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.0,MS1_match,BDMIMSPBTFWTBC-YIOMQLLYSA-N,"InChI=1S/C21H30O4/c1-13(12-22)5-4-6-14(2)15-9-10-21(3)17(15)11-16-18(23)7-8-19(24)20(16)25-21/h5,9,14,17,19,22,24H,4,6-8,10-12H2,1-3H3/b13-5+/t14-,17+,19+,21+/m0/s1",C/C(=C\CC[C@H](C)C1=CC[C@@]2(C)OC3=C(C[C@H]12)C(=O)CC[C@H]3O)CO,C21H30O4,pos_2MCH3CNNa,346.21440944,BDMIMSPBTFWTBC,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Gymnosporia acuminata,906995.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Maytenus'],['Maytenus hookeri'],6,0,6.0 44281,1561,200,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.0,MS1_match,KOATXBNOVXBDJE-GMOSXKBTSA-N,"InChI=1S/C21H30O4/c1-13(12-22)5-4-6-14(2)15-9-10-21(3)17(15)11-16-19(25-21)8-7-18(23)20(16)24/h5,9,14,17-18,22-23H,4,6-8,10-12H2,1-3H3/b13-5+/t14-,17+,18-,21-/m0/s1",C/C(=C\CC[C@H](C)C1=CC[C@]2(C)OC3=C(C[C@H]12)C(=O)[C@@H](O)CC3)CO,C21H30O4,pos_2MCH3CNNa,346.21440944,KOATXBNOVXBDJE,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Gymnosporia acuminata,906995.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Maytenus'],['Maytenus hookeri'],6,0,6.0 44282,1561,200,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.0,MS1_match,KOATXBNOVXBDJE-GMOSXKBTSA-N,"InChI=1S/C21H30O4/c1-13(12-22)5-4-6-14(2)15-9-10-21(3)17(15)11-16-19(25-21)8-7-18(23)20(16)24/h5,9,14,17-18,22-23H,4,6-8,10-12H2,1-3H3/b13-5+/t14-,17+,18-,21-/m0/s1",C/C(=C\CC[C@H](C)C1=CC[C@]2(C)OC3=C(C[C@H]12)C(=O)[C@@H](O)CC3)CO,C21H30O4,pos_2MCH3CNNa,346.21440944,KOATXBNOVXBDJE,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Gymnosporia acuminata,906995.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Maytenus'],['Maytenus hookeri'],6,0,6.0 44283,1561,200,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.0,MS1_match,DRRKGPWOHIAOQU-MAODMQOUSA-N,"InChI=1S/C21H30O4/c1-12(2)18-15(25-5)10-14-13(19(18)24)6-7-16-20(14,3)9-8-17(23)21(16,4)11-22/h10,12,16,22,24H,6-9,11H2,1-5H3/t16-,20-,21-/m1/s1",COc1cc2c(c(O)c1C(C)C)CC[C@H]1[C@@](C)(CO)C(=O)CC[C@]21C,C21H30O4,pos_2MCH3CNNa,346.21440944,DRRKGPWOHIAOQU,Terpenoids,Diterpenoids,Abietane diterpenoids,Tripterygium wilfordii,300831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium wilfordii'],6,0,6.0 44284,1561,200,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.0,MS1_match,HDOLTIKEXDYBAN-MAODMQOUSA-N,"InChI=1S/C21H30O4/c1-19(2,25-5)15-8-7-14-13(18(15)24)6-9-16-20(14,3)11-10-17(23)21(16,4)12-22/h7-8,16,22,24H,6,9-12H2,1-5H3/t16-,20-,21-/m1/s1",COC(C)(C)c1ccc2c(c1O)CC[C@H]1[C@@](C)(CO)C(=O)CC[C@]21C,C21H30O4,pos_2MCH3CNNa,346.21440944,HDOLTIKEXDYBAN,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Tripterygium doianum,293273.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium doianum'],6,0,6.0 44077,1560,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.43153015,ISDB,FLRRQCMZWPQERP-NYODVFMBSA-N,"InChI=1S/C16H20O9/c1-7(4-8-2-3-9(18)10(19)5-8)15(23)25-16-14(22)13(21)12(20)11(6-17)24-16/h2-5,11-14,16-22H,6H2,1H3/b7-4+/t11-,12-,13+,14-,16+/m1/s1",C/C(=C\c1ccc(O)c(O)c1)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H20O9,,356.11073222,FLRRQCMZWPQERP,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Camellia reticulata,83755.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Theaceae'],['Unknown'],['Camellia'],['Camellia reticulata'],4,3,7.226120591163635 44056,1558,62,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.6402752,ISDB,KVRQQFBSAHPTAB-ATLLRHMBSA-N,"InChI=1S/C11H18O9/c1-4(5(14)2-12)10(18)20-11-9(17)8(16)7(15)6(3-13)19-11/h5-9,11-17H,1-3H2/t5-,6-,7-,8+,9-,11+/m1/s1",C=C(C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)CO,C11H18O9,,294.095082156,KVRQQFBSAHPTAB,Fatty acids,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,Tulipa gesneriana,878707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Liliales'],['Liliaceae'],['Unknown'],['Tulipa'],['Tulipa gesneriana'],4,0,6.561100721359253 44049,1556,58,Polyketides,Glycerolipids,Glycosyldiacylglycerols,0.4020952,ISDB,MAIRBOUIUZTTQK-UHFFFAOYSA-N,"InChI=1S/C39H62O5/c1-4-6-8-10-12-14-16-18-20-22-24-26-31-28-32(40)29-34(41)37(31)38-33(39(43)36(44-3)30-35(38)42)27-25-23-21-19-17-15-13-11-9-7-5-2/h28-30,40-41H,4-27H2,1-3H3",CCCCCCCCCCCCCC1=C(c2c(O)cc(O)cc2CCCCCCCCCCCCC)C(=O)C=C(OC)C1=O,C39H62O5,,610.459725084,MAIRBOUIUZTTQK,Polyketides,Aromatic polyketides,Catechols with side chains,Ardisia brevicaulis,223967.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Primulaceae'],['Unknown'],['Ardisia'],['Ardisia brevicaulis'],4,1,6.1083807945251465 42769,1554,-1,,,,0.7984772,ISDB,RRYTXWAMRRHHAA-UMBUOUCESA-N,"InChI=1S/C20H30O2/c1-16(2)14-5-7-18-9-8-17(3,12-18)6-4-15(18)19(14)10-11-20(16,21)22-13-19/h8-9,14-15,21H,4-7,10-13H2,1-3H3/t14-,15-,17-,18+,19+,20-/m0/s1",CC1(C)[C@@H]2CC[C@]34C=C[C@](C)(CC[C@@H]3[C@@]23CC[C@]1(O)OC3)C4,C20H30O2,,302.2245802,RRYTXWAMRRHHAA,Terpenoids,Diterpenoids,Beyerane diterpenoids,Excoecaria agallocha,475587.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Hippomaneae'],['Excoecaria'],['Excoecaria agallocha'],4,0,7.19390869140625 42768,1549,566,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,QUKURLODOVRHQB-CSIVPCFASA-N,"InChI=1S/C23H37NO9/c1-24-7-20(8-31-2)10(25)5-11(32-3)22-9-6-21(29)17(26)12(9)23(30,19(28)18(21)27)13(16(22)24)14(33-4)15(20)22/h9-19,25-30H,5-8H2,1-4H3/t9-,10-,11+,12-,13+,14+,15-,16-,17-,18+,19+,20+,21-,22+,23-/m1/s1",COC[C@]12CN(C)[C@@H]3[C@@H]4[C@H](OC)[C@H]1[C@@]3([C@@H](OC)C[C@H]2O)[C@@H]1C[C@@]2(O)[C@H](O)[C@@H]1[C@]4(O)[C@@H](O)[C@@H]2O,C23H37NO9,pos_1_1proton1methanol,471.2468317639998,QUKURLODOVRHQB,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum carmichaelii,549536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum carmichaelii'],6,3,7.5 42766,1548,217,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,AXCXHFKZHDEKTP-UHFFFAOYSA-N,"InChI=1S/C10H10O2/c1-12-10-6-4-9(5-7-10)3-2-8-11/h2-8H,1H3",COc1ccc(C=CC=O)cc1,C10H10O2,pos_1_1proton,162.06807956,AXCXHFKZHDEKTP,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Morina chinensis,68249.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Morina'],['Morina chinensis'],6,1,6.5 42760,1546,-1,,,,0.0,MS1_match,SIEZSHWOPJNWFA-SQSDACCSSA-N,"InChI=1S/C32H40O14/c1-16(33)40-15-31-25(43-19(4)36)22(41-17(2)34)14-30(8,39)32(31)26(44-20(5)37)23(29(6,7)46-32)24(42-18(3)35)27(31)45-28(38)21-12-10-9-11-13-21/h9-13,22-27,39H,14-15H2,1-8H3/t22-,23+,24-,25-,26+,27-,30-,31-,32-/m0/s1",CC(=O)OC[C@]12[C@@H](OC(=O)c3ccccc3)[C@@H](OC(C)=O)[C@@H]3[C@@H](OC(C)=O)[C@]1(OC3(C)C)[C@@](C)(O)C[C@H](OC(C)=O)[C@@H]2OC(C)=O,C32H40O14,pos_2_2sodium,648.2418059599999,SIEZSHWOPJNWFA,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Celastrus vulcanicola,458835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Celastrus'],['Celastrus vulcanicola'],6,0,6.0 42761,1546,-1,,,,0.0,MS1_match,SIEZSHWOPJNWFA-SQSDACCSSA-N,"InChI=1S/C32H40O14/c1-16(33)40-15-31-25(43-19(4)36)22(41-17(2)34)14-30(8,39)32(31)26(44-20(5)37)23(29(6,7)46-32)24(42-18(3)35)27(31)45-28(38)21-12-10-9-11-13-21/h9-13,22-27,39H,14-15H2,1-8H3/t22-,23+,24-,25-,26+,27-,30-,31-,32-/m0/s1",CC(=O)OC[C@]12[C@@H](OC(=O)c3ccccc3)[C@@H](OC(C)=O)[C@@H]3[C@@H](OC(C)=O)[C@]1(OC3(C)C)[C@@](C)(O)C[C@H](OC(C)=O)[C@@H]2OC(C)=O,C32H40O14,pos_2_2sodium,648.2418059599999,SIEZSHWOPJNWFA,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Celastrus vulcanicolus,458835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Celastrus'],['Celastrus vulcanicola'],6,0,6.0 42762,1546,-1,,,,0.0,MS1_match,SIEZSHWOPJNWFA-UHFFFAOYSA-N,"InChI=1S/C32H40O14/c1-16(33)40-15-31-25(43-19(4)36)22(41-17(2)34)14-30(8,39)32(31)26(44-20(5)37)23(29(6,7)46-32)24(42-18(3)35)27(31)45-28(38)21-12-10-9-11-13-21/h9-13,22-27,39H,14-15H2,1-8H3",CC(=O)OCC12C(OC(C)=O)C(OC(C)=O)CC(C)(O)C13OC(C)(C)C(C(OC(C)=O)C2OC(=O)c1ccccc1)C3OC(C)=O,C32H40O14,pos_2_2sodium,648.24180596,SIEZSHWOPJNWFA,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Celastrus angulatus,709269.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Celastrus'],['Celastrus angulatus'],6,0,6.0 42763,1546,-1,,,,0.0,MS1_match,SIEZSHWOPJNWFA-SQSDACCSSA-N,"InChI=1S/C32H40O14/c1-16(33)40-15-31-25(43-19(4)36)22(41-17(2)34)14-30(8,39)32(31)26(44-20(5)37)23(29(6,7)46-32)24(42-18(3)35)27(31)45-28(38)21-12-10-9-11-13-21/h9-13,22-27,39H,14-15H2,1-8H3/t22-,23+,24-,25-,26+,27-,30-,31-,32-/m0/s1",CC(=O)OC[C@]12[C@@H](OC(=O)c3ccccc3)[C@@H](OC(C)=O)[C@@H]3[C@@H](OC(C)=O)[C@]1(OC3(C)C)[C@@](C)(O)C[C@H](OC(C)=O)[C@@H]2OC(C)=O,C32H40O14,pos_2_2sodium,648.2418059599999,SIEZSHWOPJNWFA,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Celastrus vulcanicola,458835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Celastrus'],['Celastrus vulcanicola'],6,0,6.0 42764,1546,-1,,,,0.0,MS1_match,SIEZSHWOPJNWFA-SQSDACCSSA-N,"InChI=1S/C32H40O14/c1-16(33)40-15-31-25(43-19(4)36)22(41-17(2)34)14-30(8,39)32(31)26(44-20(5)37)23(29(6,7)46-32)24(42-18(3)35)27(31)45-28(38)21-12-10-9-11-13-21/h9-13,22-27,39H,14-15H2,1-8H3/t22-,23+,24-,25-,26+,27-,30-,31-,32-/m0/s1",CC(=O)OC[C@]12[C@@H](OC(=O)c3ccccc3)[C@@H](OC(C)=O)[C@@H]3[C@@H](OC(C)=O)[C@]1(OC3(C)C)[C@@](C)(O)C[C@H](OC(C)=O)[C@@H]2OC(C)=O,C32H40O14,pos_2_2sodium,648.2418059599999,SIEZSHWOPJNWFA,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Celastrus vulcanicolus,458835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Celastrus'],['Celastrus vulcanicola'],6,0,6.0 42765,1546,-1,,,,0.0,MS1_match,SIEZSHWOPJNWFA-UHFFFAOYSA-N,"InChI=1S/C32H40O14/c1-16(33)40-15-31-25(43-19(4)36)22(41-17(2)34)14-30(8,39)32(31)26(44-20(5)37)23(29(6,7)46-32)24(42-18(3)35)27(31)45-28(38)21-12-10-9-11-13-21/h9-13,22-27,39H,14-15H2,1-8H3",CC(=O)OCC12C(OC(C)=O)C(OC(C)=O)CC(C)(O)C13OC(C)(C)C(C(OC(C)=O)C2OC(=O)c1ccccc1)C3OC(C)=O,C32H40O14,pos_2_2sodium,648.24180596,SIEZSHWOPJNWFA,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Celastrus angulatus,709269.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Celastrus'],['Celastrus angulatus'],6,0,6.0 42759,1544,-1,,,,0.20238124,ISDB,,,,,,,MITNBWXSDQNKSU,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.8095249533653259 42755,1543,982,Terpenoids,Diterpenoids,Pregnane steroids,0.0,MS1_match,YQHBJMHUMJXFDN-KKSFZXQISA-N,"InChI=1S/C21H26O4/c1-11(2)14-9-17(22)18-13(19(14)24-4)5-6-16-15-10-25-20(23)12(15)7-8-21(16,18)3/h9,11,16,22H,5-8,10H2,1-4H3/t16-,21-/m0/s1",COc1c(C(C)C)cc(O)c2c1CC[C@H]1C3=C(CC[C@]21C)C(=O)OC3,C21H26O4,pos_1_sodium,342.18310931199994,YQHBJMHUMJXFDN,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Tripterygium wilfordii,300831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium wilfordii'],6,2,7.0 42756,1543,982,Terpenoids,Diterpenoids,Pregnane steroids,0.0,MS1_match,YQHBJMHUMJXFDN-KKSFZXQISA-N,"InChI=1S/C21H26O4/c1-11(2)14-9-17(22)18-13(19(14)24-4)5-6-16-15-10-25-20(23)12(15)7-8-21(16,18)3/h9,11,16,22H,5-8,10H2,1-4H3/t16-,21-/m0/s1",COc1c(C(C)C)cc(O)c2c1CC[C@H]1C3=C(CC[C@]21C)C(=O)OC3,C21H26O4,pos_1_sodium,342.18310931199994,YQHBJMHUMJXFDN,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Tripterygium hypoglaucum,906992.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium hypoglaucum'],6,2,7.0 42757,1543,982,Terpenoids,Diterpenoids,Pregnane steroids,0.0,MS1_match,OMQCFSSTPCOICJ-UHFFFAOYSA-N,"InChI=1S/C21H26O4/c1-11(2)12-5-6-15-18(19(12)24-4)17(22)9-16-14-10-25-20(23)13(14)7-8-21(15,16)3/h5-6,11,16-17,22H,7-10H2,1-4H3",COc1c(C(C)C)ccc2c1C(O)CC1C3=C(CCC21C)C(=O)OC3,C21H26O4,pos_1_sodium,342.183109312,OMQCFSSTPCOICJ,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Tripterygium wilfordii,300831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium wilfordii'],6,2,7.0 42715,1540,485,Terpenoids,Apocarotenoids,Cinnamic acids and derivatives,0.46421155,ISDB,QIOYKXMTBUDZHZ-SECBINFHSA-N,"InChI=1S/C11H18O3/c1-7-8(4-5-12)11(2,3)6-9(13)10(7)14/h9,12-13H,4-6H2,1-3H3/t9-/m1/s1",CC1=C(CCO)C(C)(C)C[C@@H](O)C1=O,C11H18O3,,198.125594436,QIOYKXMTBUDZHZ,Terpenoids,Apocarotenoids,Megastigmanes,Robinia pseudoacacia,928416.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Robinieae'],['Robinia'],['Robinia pseudoacacia'],4,2,6.856846213340759 41887,1537,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.5937604,ISDB,ZJIVEFDADFTLMI-ULWTYWRYSA-N,"InChI=1S/C15H24O2/c1-8-5-9(16)6-10-12(17)7-11-13(14(11,2)3)15(8,10)4/h6,8-9,11-13,16-17H,5,7H2,1-4H3/t8-,9-,11-,12+,13+,15+/m1/s1",C[C@@H]1C[C@@H](O)C=C2[C@@H](O)C[C@@H]3[C@@H](C3(C)C)[C@]21C,C15H24O2,,236.177630008,ZJIVEFDADFTLMI,Terpenoids,Sesquiterpenoids,Aristolane sesquiterpenoids,Nardostachys jatamansi,24101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Nardostachys'],['Nardostachys jatamansi'],6,2,9.375041484832764 41848,1531,679,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,0.44615874,ISDB,QPRMGHKASRLPJP-FGTMMUONSA-N,"InChI=1S/C18H35NO2/c1-15(20)11-9-7-5-3-4-6-8-10-12-17-13-14-18(21)16(2)19-17/h16-19,21H,3-14H2,1-2H3/t16-,17+,18-/m1/s1",CC(=O)CCCCCCCCCC[C@H]1CC[C@@H](O)[C@@H](C)N1,C18H35NO2,,297.26677936,QPRMGHKASRLPJP,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Elaeodendron matabelicum,629055.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Elaeodendron'],['Elaeodendron matabelicum'],6,0,7.784634947776794 41841,1530,-1,,,,0.45113072,ISDB,,,,,,,DOECPDAPQMNSHK,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.8045228719711304 41836,1527,198,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,SNJXXMIUXNTITL-JLISYNOWSA-N,"InChI=1S/C23H33NO5/c1-11(25)29-14-8-21-13-7-15-20(2)5-4-17(26)23(15,18(13)24(3)9-20)16(21)6-12(14)22(10-28-22)19(21)27/h12-19,26-27H,4-10H2,1-3H3/t12-,13+,14+,15-,16-,17+,18-,19+,20-,21-,22-,23+/m1/s1",CC(=O)O[C@H]1C[C@]23[C@H](O)[C@@]4(CO4)[C@@H]1C[C@H]2[C@]12[C@@H]4C[C@H]3[C@H]1N(C)C[C@@]4(C)CC[C@@H]2O,C23H33NO5,pos_2MHCH3CN,403.235873156,SNJXXMIUXNTITL,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum delphiniifolium,506023.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum delphiniifolium'],6,3,7.5 41837,1527,198,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,XSDJVVZNKHIOBC-PRVJHFKZSA-N,"InChI=1S/C24H33NO5/c1-11(2)18(27)30-17-12(3)23(28)8-13-15-21-7-5-6-20(4)10-25(15)24(29,19(20)21)9-22(13,17)14(21)16(23)26/h11,13-17,19,26,28-29H,3,5-10H2,1-2,4H3/t13-,14+,15-,16-,17+,19-,20+,21+,22-,23+,24-/m1/s1",C=C1[C@H](OC(=O)C(C)C)[C@@]23C[C@@]4(O)[C@@H]5[C@@]6(C)CCC[C@@]57[C@@H]2[C@@H](O)[C@]1(O)C[C@@H]3[C@H]7N4C6,C24H33NO5,pos_2MHNH3,415.235873156,XSDJVVZNKHIOBC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium verdunense,142827.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium verdunense'],6,3,7.5 41838,1527,198,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,XSDJVVZNKHIOBC-PRVJHFKZSA-N,"InChI=1S/C24H33NO5/c1-11(2)18(27)30-17-12(3)23(28)8-13-15-21-7-5-6-20(4)10-25(15)24(29,19(20)21)9-22(13,17)14(21)16(23)26/h11,13-17,19,26,28-29H,3,5-10H2,1-2,4H3/t13-,14+,15-,16-,17+,19-,20+,21+,22-,23+,24-/m1/s1",C=C1[C@H](OC(=O)C(C)C)[C@@]23C[C@@]4(O)[C@@H]5[C@@]6(C)CCC[C@@]57[C@@H]2[C@@H](O)[C@]1(O)C[C@@H]3[C@H]7N4C6,C24H33NO5,pos_2MHNH3,415.235873156,XSDJVVZNKHIOBC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium halteratum,209854.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium halteratum'],6,3,7.5 41839,1527,198,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,BKHLAQWOXOLRLR-NBNRPSMLSA-N,"InChI=1S/C24H33NO5/c1-10(2)19(28)30-12-6-21(4)9-25-13-8-22-5-11(3)14-15(26)17(22)23(7-12,16(13)21)20(25)24(22,29)18(14)27/h10,12-18,20,26-27,29H,3,5-9H2,1-2,4H3/t12-,13-,14+,15+,16+,17+,18-,20-,21-,22+,23-,24-/m0/s1",C=C1C[C@@]23C[C@H]4[C@@H]5[C@@]6(C)C[C@H](OC(=O)C(C)C)C[C@@]57[C@@H]2[C@H](O)[C@@H]1[C@H](O)[C@]3(O)[C@H]7N4C6,C24H33NO5,pos_2MHNH3,415.235873156,BKHLAQWOXOLRLR,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum coreanum,377294.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum coreanum'],6,3,7.5 41840,1527,198,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.0,MS1_match,JAONFTKYPDCXJH-JNADDAEVSA-N,"InChI=1S/C24H33NO5/c1-9(2)20(28)30-19-13-15-22(4)6-5-7-23(15)16-14(26)11-8-12(17(23)25(13)21(22)29)24(16,19)18(27)10(11)3/h9,11-19,21,26-27,29H,3,5-8H2,1-2,4H3/t11-,12-,13-,14-,15-,16+,17-,18-,19-,21-,22+,23+,24+/m1/s1",C=C1[C@H]2C[C@@H]3[C@H]4N5[C@@H]6[C@@H]7[C@](C)(CCC[C@@]74[C@H]([C@@H]2O)[C@@]3([C@@H]1O)[C@@H]6OC(=O)C(C)C)[C@H]5O,C24H33NO5,pos_2MHNH3,415.235873156,JAONFTKYPDCXJH,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium ternatum,6131820.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium ternatum'],6,3,7.5 41824,1526,375,Terpenoids,Sesquiterpenoids,Disaccharides,0.56542957,ISDB,ZWLXFBYSDMETNJ-FPJLUQMPSA-N,"InChI=1S/C25H32O2/c1-20-7-5-8-23(9-6-17-25(3,4)18-16-20)19-27-24(26)15-14-22-12-10-21(2)11-13-22/h6,8,10-17H,5,7,9,18-19H2,1-4H3/b15-14-,17-6+,20-16+,23-8-",C/C1=C\CC(C)(C)/C=C/C/C(COC(=O)/C=C\c2ccc(C)cc2)=C/CC1,C25H32O2,,364.240230264,ZWLXFBYSDMETNJ,Terpenoids,Sesquiterpenoids,Humulane sesquiterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],4,2,7.261718273162842 41822,1525,104,Amino acids and Peptides,Small peptides,Dipeptides,0.0,MS1_match,WIIDBJNWXCWLKF-VVAXPEBGSA-N,"InChI=1S/C14H19NO8/c15-4-3-6-1-2-7(17)9(18)13(6)23-14-12(21)11(20)10(19)8(5-16)22-14/h1-3,7-14,16-21H,5H2/b6-3-/t7-,8-,9+,10-,11+,12-,13+,14+/m1/s1",N#C/C=C1/C=C[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H19NO8,pos_2_2proton3acetonitrile,329.111066568,WIIDBJNWXCWLKF,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Semiaquilegia adoxoides,781970.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Semiaquilegia'],['Semiaquilegia adoxoides'],6,1,6.5 41823,1525,104,Amino acids and Peptides,Small peptides,Dipeptides,0.0,MS1_match,WIIDBJNWXCWLKF-VVAXPEBGSA-N,"InChI=1S/C14H19NO8/c15-4-3-6-1-2-7(17)9(18)13(6)23-14-12(21)11(20)10(19)8(5-16)22-14/h1-3,7-14,16-21H,5H2/b6-3-/t7-,8-,9+,10-,11+,12-,13+,14+/m1/s1",N#C/C=C1/C=C[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H19NO8,pos_2_2proton3acetonitrile,329.111066568,WIIDBJNWXCWLKF,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Thalictrum orientale,6133349.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum orientale'],6,1,6.5 41801,1522,856,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.9049333,ISDB,PMQFRYOUROAMMQ-SKIKXBICSA-N,"InChI=1S/C30H26O14/c31-15-5-3-14(4-6-15)19-10-18(34)24-20(42-19)11-21(25(36)27(24)38)43-30-29(40)28(39)26(37)22(44-30)12-41-23(35)8-2-13-1-7-16(32)17(33)9-13/h1-11,22,26,28-33,36-40H,12H2/b8-2+/t22-,26-,28+,29-,30-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](Oc2cc3oc(-c4ccc(O)cc4)cc(=O)c3c(O)c2O)[C@H](O)[C@@H](O)[C@@H]1O,C30H26O14,,610.132255512,PMQFRYOUROAMMQ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Halophila ovalis,861013.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Alismatales'],['Hydrocharitaceae'],['Unknown'],['Halophila'],['Halophila ovalis'],4,3,9.119733095169067 41802,1522,856,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.9049333,ISDB,PMQFRYOUROAMMQ-SKIKXBICSA-N,"InChI=1S/C30H26O14/c31-15-5-3-14(4-6-15)19-10-18(34)24-20(42-19)11-21(25(36)27(24)38)43-30-29(40)28(39)26(37)22(44-30)12-41-23(35)8-2-13-1-7-16(32)17(33)9-13/h1-11,22,26,28-33,36-40H,12H2/b8-2+/t22-,26-,28+,29-,30-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](Oc2cc3oc(-c4ccc(O)cc4)cc(=O)c3c(O)c2O)[C@H](O)[C@@H](O)[C@@H]1O,C30H26O14,,610.132255512,PMQFRYOUROAMMQ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Halophila johnsonii,538431.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Alismatales'],['Hydrocharitaceae'],['Unknown'],['Halophila'],['Halophila johnsonii'],4,3,9.119733095169067 41799,1521,228,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.23178007,ISDB,XZVWVQIWDKJIQE-FOIFJWKZSA-N,"InChI=1S/C23H48NO6P/c1-20(2)14-12-10-8-7-9-11-13-15-21(3)23(26)29-18-22(25)19-30-31(27,28)17-16-24(4,5)6/h20-22,25H,7-19H2,1-6H3/t21?,22-/m1/s1",CC(C)CCCCCCCCCC(C)C(=O)OC[C@@H](O)COP(=O)([O-])CC[N+](C)(C)C,C23H48NO6P,,465.321924886,XZVWVQIWDKJIQE,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Stelletta,662723.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Tetractinellida'],['Ancorinidae'],['Unknown'],['Stelletta'],['Unknown'],1,0,1.9271202683448792 41792,1520,242,Fatty acids,Sesquiterpenoids,Furans,0.56750405,ISDB,CTLVRIOTFRWXKP-BGTYHANMSA-N,"InChI=1S/C18H28O/c1-13-7-6-8-16-17(13,4)11-9-14(2)18(16,5)12-10-15(3)19/h6-7,14,16H,1,8-12H2,2-5H3/t14-,16-,17+,18+/m1/s1",C=C1C=CC[C@H]2[C@@](C)(CCC(C)=O)[C@H](C)CC[C@@]12C,C18H28O,,260.214015516,CTLVRIOTFRWXKP,Terpenoids,Sesquiterpenoids,,Parentucellia latifolia,981066.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Orobanchaceae'],['Rhinantheae'],['Parentucellia'],['Parentucellia latifolia'],4,2,7.270016193389893 41775,1519,689,Fatty acids,Fatty esters,Wax monoesters,0.0,MS1_match,VTCDZPUMZAZMSB-UHFFFAOYSA-N,"InChI=1S/C9H12O4/c1-11-7-4-6(10)5-8(12-2)9(7)13-3/h4-5,10H,1-3H3",COc1cc(O)cc(OC)c1OC,C9H12O4,pos_1_1proton1ammonium,184.073558864,VTCDZPUMZAZMSB,,,,Tripterygium wilfordii,300831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium wilfordii'],6,0,6.0 41109,1518,607,Terpenoids,Sesquiterpenoids,Drimane sesquiterpenoids,0.6646829,ISDB,CAHQQYHQUHYOGU-DCHWWWNVSA-N,"InChI=1S/C15H18O3/c1-10-5-4-6-11-9-13(18-14(11)17)15(2,3)8-7-12(10)16/h5,7-9,13H,4,6H2,1-3H3/b8-7-,10-5-/t13-/m0/s1",C/C1=C/CCC2=C[C@H](OC2=O)C(C)(C)/C=C\C1=O,C15H18O3,,246.125594436,CAHQQYHQUHYOGU,Terpenoids,Sesquiterpenoids,Humulane sesquiterpenoids,Asteriscus vogelii,481180.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Asteriscus'],['Asteriscus vogelii'],4,2,7.658731698989868 41110,1518,607,Terpenoids,Sesquiterpenoids,Drimane sesquiterpenoids,0.6646829,ISDB,CAHQQYHQUHYOGU-WGGPUXJNSA-N,"InChI=1S/C15H18O3/c1-10-5-4-6-11-9-13(18-14(11)17)15(2,3)8-7-12(10)16/h5,7-9,13H,4,6H2,1-3H3/b8-7-,10-5+/t13-/m0/s1",C/C1=C\CCC2=C[C@H](OC2=O)C(C)(C)/C=C\C1=O,C15H18O3,,246.125594436,CAHQQYHQUHYOGU,Terpenoids,Sesquiterpenoids,Humulane sesquiterpenoids,Asteriscus aquaticus,245282.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Asteriscus'],['Asteriscus aquaticus'],4,2,7.658731698989868 41111,1518,607,Terpenoids,Sesquiterpenoids,Drimane sesquiterpenoids,0.6646829,ISDB,CAHQQYHQUHYOGU-WGGPUXJNSA-N,"InChI=1S/C15H18O3/c1-10-5-4-6-11-9-13(18-14(11)17)15(2,3)8-7-12(10)16/h5,7-9,13H,4,6H2,1-3H3/b8-7-,10-5+/t13-/m0/s1",C/C1=C\CCC2=C[C@H](OC2=O)C(C)(C)/C=C\C1=O,C15H18O3,,246.125594436,CAHQQYHQUHYOGU,Terpenoids,Sesquiterpenoids,Humulane sesquiterpenoids,Asteriscus sericeus,931541.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Asteriscus'],['Asteriscus sericeus'],4,2,7.658731698989868 41112,1518,607,Terpenoids,Sesquiterpenoids,Drimane sesquiterpenoids,0.6646829,ISDB,CAHQQYHQUHYOGU-WGGPUXJNSA-N,"InChI=1S/C15H18O3/c1-10-5-4-6-11-9-13(18-14(11)17)15(2,3)8-7-12(10)16/h5,7-9,13H,4,6H2,1-3H3/b8-7-,10-5+/t13-/m0/s1",C/C1=C\CCC2=C[C@H](OC2=O)C(C)(C)/C=C\C1=O,C15H18O3,,246.125594436,CAHQQYHQUHYOGU,Terpenoids,Sesquiterpenoids,Humulane sesquiterpenoids,Asteriscus graveolens,481176.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Asteriscus'],['Asteriscus graveolens'],4,2,7.658731698989868 41113,1518,607,Terpenoids,Sesquiterpenoids,Drimane sesquiterpenoids,0.6646829,ISDB,CAHQQYHQUHYOGU-XPXANVHNSA-N,"InChI=1S/C15H18O3/c1-10-5-4-6-11-9-13(18-14(11)17)15(2,3)8-7-12(10)16/h5,7-9,13H,4,6H2,1-3H3/b8-7+,10-5+/t13-/m1/s1",C/C1=C\CCC2=C[C@@H](OC2=O)C(C)(C)/C=C/C1=O,C15H18O3,,246.125594436,CAHQQYHQUHYOGU,Terpenoids,Sesquiterpenoids,Humulane sesquiterpenoids,Asteriscus daltonii,481186.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Asteriscus'],['Asteriscus daltonii'],4,2,7.658731698989868 41114,1518,607,Terpenoids,Sesquiterpenoids,Drimane sesquiterpenoids,0.6646829,ISDB,CAHQQYHQUHYOGU-WGGPUXJNSA-N,"InChI=1S/C15H18O3/c1-10-5-4-6-11-9-13(18-14(11)17)15(2,3)8-7-12(10)16/h5,7-9,13H,4,6H2,1-3H3/b8-7-,10-5+/t13-/m0/s1",C/C1=C\CCC2=C[C@H](OC2=O)C(C)(C)/C=C\C1=O,C15H18O3,,246.125594436,CAHQQYHQUHYOGU,Terpenoids,Sesquiterpenoids,Humulane sesquiterpenoids,Asteriscus intermedius,956601.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Asteriscus'],['Asteriscus intermedius'],4,2,7.658731698989868 41108,1516,121,Alkaloids,Lysine alkaloids,Piperidine alkaloids,0.0,MS1_match,YNZFPBWLANBKMU-FTOZMJLYSA-N,"InChI=1S/C38H46O9/c1-8-23(2)34(41)45-31-30-32(43-25(4)39)38(47-36(30,5)6)24(3)19-21-28(44-29(40)22-20-26-15-11-9-12-16-26)37(38,7)33(31)46-35(42)27-17-13-10-14-18-27/h9-18,20,22-24,28,30-33H,8,19,21H2,1-7H3/b22-20+/t23-,24-,28+,30-,31-,32-,33-,37+,38-/m1/s1",CC[C@@H](C)C(=O)O[C@@H]1[C@@H]2[C@@H](OC(C)=O)[C@]3(OC2(C)C)[C@H](C)CC[C@H](OC(=O)/C=C/c2ccccc2)[C@@]3(C)[C@@H]1OC(=O)c1ccccc1,C38H46O9,pos_2_2proton,646.314183052,YNZFPBWLANBKMU,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Celastrus orbiculatus,56757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Celastrus'],['Celastrus orbiculatus'],6,0,6.0 41104,1512,794,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,0.0,MS1_match,SODJPCZIKCWQDF-YDTXZKNUSA-N,"InChI=1S/C41H48N2O18/c1-18-19(2)35(50)59-32-29(49)33(60-36(51)24-12-13-26(48)43(9)15-24)40(17-54-20(3)44)34(58-23(6)47)30(56-21(4)45)27-31(57-22(5)46)41(40,39(32,8)53)61-38(27,7)16-55-37(52)25-11-10-14-42-28(18)25/h10-15,18-19,27,29-34,49,53H,16-17H2,1-9H3/t18-,19+,27-,29+,30-,31-,32+,33+,34-,38+,39+,40+,41+/m1/s1",CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3[C@@H](OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1[C@H](C)[C@H](C)C(=O)O[C@@H]([C@H](O)[C@@H]2OC(=O)c1ccc(=O)n(C)c1)[C@]4(C)O,C41H48N2O18,pos_2_2proton,856.290212696,SODJPCZIKCWQDF,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Semialarium mexicanum,857478.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Semialarium'],['Semialarium mexicanum'],6,3,7.5 41105,1512,794,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,0.0,MS1_match,SODJPCZIKCWQDF-UHFFFAOYSA-N,"InChI=1S/C41H48N2O18/c1-18-19(2)35(50)59-32-29(49)33(60-36(51)24-12-13-26(48)43(9)15-24)40(17-54-20(3)44)34(58-23(6)47)30(56-21(4)45)27-31(57-22(5)46)41(40,39(32,8)53)61-38(27,7)16-55-37(52)25-11-10-14-42-28(18)25/h10-15,18-19,27,29-34,49,53H,16-17H2,1-9H3",CC(=O)OCC12C(OC(=O)c3ccc(=O)n(C)c3)C(O)C3OC(=O)C(C)C(C)c4ncccc4C(=O)OCC4(C)OC1(C(OC(C)=O)C4C(OC(C)=O)C2OC(C)=O)C3(C)O,C41H48N2O18,pos_2_2proton,856.290212696,SODJPCZIKCWQDF,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Hippocratea volubilis,232493.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Hippocratea'],['Hippocratea volubilis'],6,3,7.5 41106,1512,794,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,0.0,MS1_match,OOZYNQOOJZTXAC-ANNCLGKJSA-N,"InChI=1S/C41H48N2O18/c1-18-19(2)35(50)60-33-30(59-36(51)24-12-13-26(48)43(9)15-24)34(58-23(6)47)40(17-54-20(3)44)31(49)29(56-21(4)45)27-32(57-22(5)46)41(40,39(33,8)53)61-38(27,7)16-55-37(52)25-11-10-14-42-28(18)25/h10-15,18-19,27,29-34,49,53H,16-17H2,1-9H3/t18-,19+,27-,29-,30+,31-,32-,33+,34+,38+,39+,40-,41+/m1/s1",CC(=O)OC[C@]12[C@H](O)[C@H](OC(C)=O)[C@@H]3[C@@H](OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1[C@H](C)[C@H](C)C(=O)O[C@@H]([C@H](OC(=O)c1ccc(=O)n(C)c1)[C@@H]2OC(C)=O)[C@]4(C)O,C41H48N2O18,pos_2_2proton,856.290212696,OOZYNQOOJZTXAC,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Monteverdia retusa,7631457.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Monteverdia'],['Monteverdia retusa'],6,3,7.5 41107,1512,794,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,0.0,MS1_match,GEQVEDBUJSREGY-VVNUXESFSA-N,"InChI=1S/C41H48N2O18/c1-18-19(2)35(50)60-33-30(59-36(51)24-12-13-26(48)43(9)15-24)31(49)40(17-54-20(3)44)34(58-23(6)47)29(56-21(4)45)27-32(57-22(5)46)41(40,39(33,8)53)61-38(27,7)16-55-37(52)25-11-10-14-42-28(18)25/h10-15,18-19,27,29-34,49,53H,16-17H2,1-9H3/t18-,19+,27-,29-,30-,31+,32-,33+,34-,38+,39+,40+,41+/m1/s1",CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3[C@@H](OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1[C@H](C)[C@H](C)C(=O)O[C@@H]([C@H](OC(=O)c1ccc(=O)n(C)c1)[C@@H]2O)[C@]4(C)O,C41H48N2O18,pos_2_2proton,856.290212696,GEQVEDBUJSREGY,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Monteverdia retusa,7631457.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Monteverdia'],['Monteverdia retusa'],6,3,7.5 41018,1511,58,Polyketides,Glycerolipids,Glycosyldiacylglycerols,0.74650025,ISDB,JDVDGNAHTZMMBI-UHFFFAOYSA-N,"InChI=1S/C21H36O3/c1-5-7-8-9-10-11-12-13-14-15-16-19-17(3)20(22)18(6-2)21(23-4)24-19/h5-16H2,1-4H3",CCCCCCCCCCCCc1oc(OC)c(CC)c(=O)c1C,C21H36O3,,336.266445012,JDVDGNAHTZMMBI,Polyketides,Cyclic polyketides,4-pyrone derivatives,Podolepis rugata,24091.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Podolepis'],['Podolepis rugata'],4,1,7.486001014709473 41004,1509,-1,,,,0.62748826,ISDB,,,,,,,ORDIPLSZZYDBSA,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.509953022003174 40304,1507,94,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.8351932,ISDB,DTOSIQBPPRVQHS-IUQGRGSQSA-N,"InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3+,7-6+,10-9+",CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)O,C18H30O2,,278.2245802,DTOSIQBPPRVQHS,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Celastrus paniculatus,561287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Celastrus'],['Celastrus paniculatus'],6,3,10.840772867202759 40223,1506,242,Fatty acids,Sesquiterpenoids,Furans,0.75086313,ISDB,PORPGKSIWVNTJC-XTEVQFBVSA-N,"InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h8-15H,2-7,16-17H2,1H3,(H,19,20)/b9-8?,11-10?,13-12?,15-14+",CCCCCCCC=CC=CC=C/C=C/CCC(=O)O,C18H28O2,,276.208930136,PORPGKSIWVNTJC,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Ixora chinensis,319890.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Ixoreae'],['Ixora'],['Ixora chinensis'],4,1,7.50345253944397 40208,1499,104,Amino acids and Peptides,Small peptides,Dipeptides,0.40460718,ISDB,MYFMARDICOWMQP-YUMQZZPRSA-N,"InChI=1S/C11H20N2O5/c1-6(2)5-8(11(17)18)13-9(14)4-3-7(12)10(15)16/h6-8H,3-5,12H2,1-2H3,(H,13,14)(H,15,16)(H,17,18)/t7-,8-/m0/s1",CC(C)C[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)O,C11H20N2O5,,260.13722174000003,MYFMARDICOWMQP,Amino acids and Peptides,Small peptides,Dipeptides,Vigna radiata,806245.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Vigna'],['Vigna radiata'],4,3,7.118428707122803 40209,1499,104,Amino acids and Peptides,Small peptides,Dipeptides,0.40460718,ISDB,MYFMARDICOWMQP-YUMQZZPRSA-N,"InChI=1S/C11H20N2O5/c1-6(2)5-8(11(17)18)13-9(14)4-3-7(12)10(15)16/h6-8H,3-5,12H2,1-2H3,(H,13,14)(H,15,16)(H,17,18)/t7-,8-/m0/s1",CC(C)C[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)O,C11H20N2O5,,260.13722174000003,MYFMARDICOWMQP,Amino acids and Peptides,Small peptides,Dipeptides,Phaseolus vulgaris,825707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Phaseolus'],['Phaseolus vulgaris'],4,3,7.118428707122803 40176,1497,-1,,,,0.65162283,ISDB,WCOGCXNOODOZBU-HNKCEKSGSA-N,"InChI=1S/C19H26O2/c1-11(20)14-6-7-19-16(14)8-9-17-15-5-3-13(21)10-12(15)2-4-18(17)19/h2,6,13,15-19,21H,3-5,7-10H2,1H3/t13-,15+,16+,17-,18-,19-/m0/s1",CC(=O)C1=CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@H]4[C@@H]3CC[C@H]12,C19H26O2,,286.193280072,WCOGCXNOODOZBU,Terpenoids,Steroids,Pregnane steroids,Veratrum grandiflorum,1088325.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Liliales'],['Melanthiaceae'],['Unknown'],['Veratrum'],['Veratrum grandiflorum'],4,0,6.606491327285767 40173,1496,-1,,,,0.0,MS1_match,ISDXMFLGMQJRBT-UHFFFAOYSA-N,"InChI=1S/C40H44N2O7/c1-26(2)31-16-17-40(25-46-35(43)21-28-10-6-5-7-11-28)34(48-38(45)30-13-9-19-42-24-30)20-27(3)14-15-33-39(4,49-33)22-32(36(31)40)47-37(44)29-12-8-18-41-23-29/h5-13,18-20,23-24,32-34,36H,14-17,21-22,25H2,1-4H3",CC1=CC(OC(=O)c2cccnc2)C2(COC(=O)Cc3ccccc3)CCC(=C(C)C)C2C(OC(=O)c2cccnc2)CC2(C)OC2CC1,C40H44N2O7,pos_1_sodium,664.314851748,ISDXMFLGMQJRBT,Terpenoids,Diterpenoids,,Nigella sativa,142360.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Nigelleae'],['Nigella'],['Nigella sativa'],6,0,6.0 40174,1496,-1,,,,0.0,MS1_match,BSEREUYHFDTZAR-CYVCHDHYSA-N,"InChI=1S/C40H44N2O7/c1-26(2)31-17-18-40(25-46-35(43)28-11-7-6-8-12-28)33(47-36(44)29-13-9-19-41-23-29)21-27(3)15-16-32-38(4,49-32)22-34(39(31,40)5)48-37(45)30-14-10-20-42-24-30/h6-14,19-21,23-24,32-34H,15-18,22,25H2,1-5H3/b27-21+/t32-,33-,34+,38-,39+,40-/m0/s1",CC(C)=C1CC[C@]2(COC(=O)c3ccccc3)[C@@H](OC(=O)c3cccnc3)/C=C(\C)CC[C@@H]3O[C@@]3(C)C[C@@H](OC(=O)c3cccnc3)[C@@]12C,C40H44N2O7,pos_1_sodium,664.314851748,BSEREUYHFDTZAR,Terpenoids,Diterpenoids,,Nigella sativa,142360.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Nigelleae'],['Nigella'],['Nigella sativa'],6,0,6.0 40175,1496,-1,,,,0.0,MS1_match,BSEREUYHFDTZAR-CYVCHDHYSA-N,"InChI=1S/C40H44N2O7/c1-26(2)31-17-18-40(25-46-35(43)28-11-7-6-8-12-28)33(47-36(44)29-13-9-19-41-23-29)21-27(3)15-16-32-38(4,49-32)22-34(39(31,40)5)48-37(45)30-14-10-20-42-24-30/h6-14,19-21,23-24,32-34H,15-18,22,25H2,1-5H3/b27-21+/t32-,33-,34+,38-,39+,40-/m0/s1",CC(C)=C1CC[C@]2(COC(=O)c3ccccc3)[C@@H](OC(=O)c3cccnc3)/C=C(\C)CC[C@@H]3O[C@@]3(C)C[C@@H](OC(=O)c3cccnc3)[C@@]12C,C40H44N2O7,pos_1_sodium,664.314851748,BSEREUYHFDTZAR,Terpenoids,Diterpenoids,,Nigella glandulifera,5737891.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Nigelleae'],['Nigella'],['Nigella glandulifera'],6,0,6.0 40169,1494,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.3926733,ISDB,OVWDRYCZWVUZQT-OMAYRMBQSA-N,"InChI=1S/C24H40O11/c1-12-7-14(8-23(3,4)15(12)6-5-13(2)26)34-21-19(29)18(28)17(27)16(35-21)9-32-22-20(30)24(31,10-25)11-33-22/h14,16-22,25,27-31H,5-11H2,1-4H3/t14-,16+,17+,18-,19+,20+,21+,22-,24-/m0/s1",CC(=O)CCC1=C(C)C[C@H](O[C@@H]2O[C@H](CO[C@H]3OC[C@@](O)(CO)[C@@H]3O)[C@@H](O)[C@H](O)[C@H]2O)CC1(C)C,C24H40O11,,504.2570621,OVWDRYCZWVUZQT,Terpenoids,Apocarotenoids,Megastigmanes,Sargentodoxa cuneata,639710.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Lardizabalaceae'],['Unknown'],['Sargentodoxa'],['Sargentodoxa cuneata'],4,1,6.070693254470825 40138,1493,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.68610835,ISDB,FIZZAWTVIDYQPI-TUAOUCFPSA-N,"InChI=1S/C12H18O/c1-9-5-3-4-6-11-10(9)7-8-12(11,2)13/h4,6,10-11,13H,1,3,5,7-8H2,2H3/t10-,11+,12-/m0/s1",C=C1CCC=C[C@@H]2[C@H]1CC[C@]2(C)O,C12H18O,,178.135765196,FIZZAWTVIDYQPI,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Dictamnus dasycarpus,651514.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Dictamnus'],['Dictamnus dasycarpus'],4,2,7.744433403015137 40117,1490,265,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.49443159,ISDB,SMUVABOERCFKRW-UHFFFAOYSA-N,"InChI=1S/C9H10O/c1-7-3-4-8(2)9(5-7)6-10/h3-6H,1-2H3",Cc1ccc(C)c(C=O)c1,C9H10O,,134.07316494,SMUVABOERCFKRW,Terpenoids,,,Camellia sinensis,1058509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Theaceae'],['Unknown'],['Camellia'],['Camellia sinensis'],4,1,6.477726340293884 40116,1488,89,,,,0.25885817,ISDB,,,,,,,AHZCIODFJPNPKS,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.0354326963424683 39336,1487,103,Terpenoids,Sesquiterpenoids,Valerenane sesquiterpenoids,0.44510326,ISDB,FEBNTWHYQKGEIQ-JWRGBUJQSA-N,"InChI=1S/C15H22O2/c1-9-4-6-12(8-11(3)15(16)17)14-10(2)5-7-13(9)14/h8-9,12-13H,4-7H2,1-3H3,(H,16,17)/b11-8-/t9-,12+,13-/m1/s1",CC1=C2[C@H](/C=C(/C)C(=O)O)CC[C@@H](C)[C@H]2CC1,C15H22O2,,234.161979944,FEBNTWHYQKGEIQ,Terpenoids,Sesquiterpenoids,Valerenane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,3,9.280413031578064 39337,1487,103,Terpenoids,Sesquiterpenoids,Valerenane sesquiterpenoids,0.44510326,ISDB,FEBNTWHYQKGEIQ-JWRGBUJQSA-N,"InChI=1S/C15H22O2/c1-9-4-6-12(8-11(3)15(16)17)14-10(2)5-7-13(9)14/h8-9,12-13H,4-7H2,1-3H3,(H,16,17)/b11-8-/t9-,12+,13-/m1/s1",CC1=C2[C@H](/C=C(/C)C(=O)O)CC[C@@H](C)[C@H]2CC1,C15H22O2,,234.161979944,FEBNTWHYQKGEIQ,Terpenoids,Sesquiterpenoids,Valerenane sesquiterpenoids,Valeriana wolgensis,5746446.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana wolgensis'],6,3,9.280413031578064 39292,1486,1468,Terpenoids,Monoterpenoids,Simple phenolic acids,0.0,MS1_match,QPJVMBTYPHYUOC-UHFFFAOYSA-N,"InChI=1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3",COC(=O)c1ccccc1,C8H8O2,pos_1_1proton1methanol,136.052429496,QPJVMBTYPHYUOC,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 39291,1483,863,Fatty acids,Sphingolipids,Ceramides,0.21815878,ISDB,GCGTXOVNNFGTPQ-JHOUSYSJSA-N,"InChI=1S/C34H69NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(37)32(31-36)35-34(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h32-33,36-37H,3-31H2,1-2H3,(H,35,38)/t32-,33+/m0/s1",CCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCCCCC,C34H69NO3,,539.527745068,GCGTXOVNNFGTPQ,Fatty acids,Sphingolipids,Ceramides,Brassica oleracea,833642.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica oleracea'],4,3,6.372635126113892 39125,1482,58,Polyketides,Glycerolipids,Glycosyldiacylglycerols,0.74309915,ISDB,KQBASRSRJMDOBH-GOSISDBHSA-N,"InChI=1S/C21H34O3/c1-3-4-5-6-7-8-9-10-11-12-18-13-17-14-19(23-2)15-21(22)20(17)16-24-18/h14-15,18,22H,3-13,16H2,1-2H3/t18-/m1/s1",CCCCCCCCCCC[C@@H]1Cc2cc(OC)cc(O)c2CO1,C21H34O3,,334.250794948,KQBASRSRJMDOBH,Polyketides,Chromanes,Azaphilones,Ononis natrix,1072855.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Ononis'],['Ononis natrix'],4,1,7.472396612167358 39123,1479,-1,,,,0.0,MS1_match,AOEKSLVHJZEURZ-JLLNUDTQSA-N,"InChI=1S/C39H62O12/c1-20(41)48-29-30(35(7)13-11-26(51-35)34(5,6)46)39(19-40)16-15-38-18-37(38)14-12-25(50-32-28(45)27(44)22(43)17-47-32)33(3,4)23(37)9-10-24(38)36(39,8)31(29)49-21(2)42/h22-32,40,43-46H,9-19H2,1-8H3/t22-,23+,24+,25+,26-,27+,28-,29-,30-,31-,32+,35+,36-,37-,38+,39+/m1/s1",CC(=O)O[C@H]1[C@@H](OC(C)=O)[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)CC[C@@]45C[C@@]35CC[C@]2(CO)[C@H]1[C@]1(C)CC[C@H](C(C)(C)O)O1,C39H62O12,pos_1_1proton1ammonium,722.424127424,AOEKSLVHJZEURZ,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Beesia calthifolia,877310.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Beesia'],['Beesia calthifolia'],6,0,6.0 39124,1479,-1,,,,0.0,MS1_match,TVJIGVYTXZVMBU-JYXUTFFHSA-N,"InChI=1S/C39H62O12/c1-20(40)48-19-39-16-15-38-18-37(38)14-12-25(50-32-28(44)27(43)22(42)17-47-32)33(3,4)23(37)9-10-24(38)36(39,8)31(49-21(2)41)29(45)30(39)35(7)13-11-26(51-35)34(5,6)46/h22-32,42-46H,9-19H2,1-8H3/t22-,23+,24+,25+,26-,27+,28-,29-,30-,31+,32+,35+,36-,37-,38+,39+/m1/s1",CC(=O)OC[C@]12CC[C@@]34C[C@@]35CC[C@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)C(C)(C)[C@@H]5CC[C@H]4[C@]1(C)[C@@H](OC(C)=O)[C@H](O)[C@@H]2[C@]1(C)CC[C@H](C(C)(C)O)O1,C39H62O12,pos_1_1proton1ammonium,722.4241274240001,TVJIGVYTXZVMBU,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Beesia calthifolia,877310.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Beesia'],['Beesia calthifolia'],6,0,6.0 39032,1478,888,Terpenoids,Diterpenoids,Abietane diterpenoids,0.36378208,ISDB,JVRVYDCPTHHIGR-UHFFFAOYSA-N,"InChI=1S/C19H28O2/c1-11(2)14-10-12-7-8-15-13(6-5-9-19(15,3)4)16(12)18(21)17(14)20/h10-11,13,15,20-21H,5-9H2,1-4H3",CC(C)c1cc2c(c(O)c1O)C1CCCC(C)(C)C1CC2,C19H28O2,,288.208930136,JVRVYDCPTHHIGR,Terpenoids,Diterpenoids,Abietane diterpenoids,Rosmarinus officinalis,778824.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia rosmarinus'],4,3,6.955128312110901 39023,1474,119,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,OYHQOLUKZRVURQ-AVQMFFATSA-N,"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6+,10-9+",CCCCC/C=C/C/C=C/CCCCCCCC(=O)O,C18H32O2,pos_1_1proton1acetonitrile,280.240230264,OYHQOLUKZRVURQ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Celastrus hypoleucus,1019456.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Celastrus'],['Celastrus hypoleucus'],6,3,7.5 39024,1474,119,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,OYHQOLUKZRVURQ-HZJYTTRNSA-N,"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCCCC(=O)O,C18H32O2,pos_1_1proton1acetonitrile,280.240230264,OYHQOLUKZRVURQ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Celastrus paniculatus,561287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Celastrus'],['Celastrus paniculatus'],6,3,7.5 39025,1474,119,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,ADHNUPOJJCKWRT-JLXBFWJWSA-N,"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h14-17H,2-13H2,1H3,(H,19,20)/b15-14+,17-16+",CCCCCCCCCCCCC/C=C/C=C/C(=O)O,C18H32O2,pos_1_1proton1acetonitrile,280.240230264,ADHNUPOJJCKWRT,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Celastrus hypoleucus,1019456.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Celastrus'],['Celastrus hypoleucus'],6,3,7.5 39019,1467,73,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.2962483,ISDB,YRVYJYODXYESHQ-PHSZKTHRSA-N,"InChI=1S/C45H72O11/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-20-24-28-40(48)53-33-36(34-54-45-44(52)43(51)42(50)39(32-46)56-45)55-41(49)29-25-21-18-19-23-26-35-30-31-38(47)37(35)27-22-6-4-2/h5-7,9-10,12-13,22,30-31,35-37,39,42-46,50-52H,3-4,8,11,14-21,23-29,32-34H2,1-2H3/b7-5-,10-9-,13-12-,22-6-/t35-,36+,37-,39+,42-,43-,44+,45+/m0/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC[C@H]1C=CC(=O)[C@H]1C/C=C\CC,C45H72O11,,788.507463124,YRVYJYODXYESHQ,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],4,0,5.184993147850037 39014,1466,201,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,XWOHZIIPBYAMJX-KHBMLBSESA-N,"InChI=1S/C11H16O5/c1-5-8(12)3-6-7(10(13)15-2)4-16-11(14)9(5)6/h4-6,8-9,11-12,14H,3H2,1-2H3/t5-,6+,8-,9+,11+/m0/s1",COC(=O)C1=CO[C@@H](O)[C@@H]2[C@@H](C)[C@@H](O)C[C@H]12,C11H16O5,pos_2MH,228.099773612,XWOHZIIPBYAMJX,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Dipsacus laciniatus,489131.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Dipsacus'],['Dipsacus laciniatus'],6,1,6.5 39015,1466,201,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,HJTVDWWIPXDJBB-UHFFFAOYSA-N,"InChI=1S/C11H16O5/c1-6(5-12)7-4-8(13)11(2,15)9(7)10(14)16-3/h5,7-9,13,15H,1,4H2,2-3H3",C=C(C=O)C1CC(O)C(C)(O)C1C(=O)OC,C11H16O5,pos_2MH,228.099773612,HJTVDWWIPXDJBB,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,1,6.5 39016,1466,201,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,NGJFTIGDSFYTPY-UHFFFAOYSA-N,"InChI=1S/C11H16O5/c1-11-7(12)3-5-6(4-15-11)10(14-2)16-9(13)8(5)11/h5-8,10,12H,3-4H2,1-2H3",COC1OC(=O)C2C3CC(O)C2(C)OCC13,C11H16O5,pos_2MH,228.099773612,NGJFTIGDSFYTPY,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,1,6.5 38987,1465,166,Amino acids and Peptides,Small peptides,Dipeptides,0.48567665,ISDB,ZVDPYSVOZFINEE-BQBZGAKWSA-N,"InChI=1S/C10H18N2O5/c1-5(2)3-7(10(16)17)12-9(15)6(11)4-8(13)14/h5-7H,3-4,11H2,1-2H3,(H,12,15)(H,13,14)(H,16,17)/t6-,7-/m0/s1",CC(C)C[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)O,C10H18N2O5,,246.121571676,ZVDPYSVOZFINEE,Amino acids and Peptides,Small peptides,Dipeptides,Brassica napus,309234.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica napus'],4,3,7.44270658493042 38977,1464,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,SMFKCIHIAHWGGL-LQMUPLJOSA-N,"InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(13(21)8-17)26-14(22)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-21,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m0/s1",COC(=O)[C@]1(O)C[C@H](O)[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](O)C1,C17H20O9,pos_1_1proton,368.11073222,SMFKCIHIAHWGGL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera bournei,5746380.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera bournei'],7,3,8.5 38978,1464,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,SMFKCIHIAHWGGL-LQMUPLJOSA-N,"InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(13(21)8-17)26-14(22)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-21,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m0/s1",COC(=O)[C@]1(O)C[C@H](O)[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](O)C1,C17H20O9,pos_1_1proton,368.11073222,SMFKCIHIAHWGGL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera bournei,5746380.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera bournei'],7,3,8.5 38979,1464,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MZNIJRAPCCELQX-LQMUPLJOSA-N,"InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m0/s1",COC(=O)[C@]1(O)C[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](O)[C@@H](O)C1,C17H20O9,pos_1_1proton,368.1107322199999,MZNIJRAPCCELQX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera bournei,5746380.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera bournei'],7,3,8.5 38980,1464,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MZNIJRAPCCELQX-AWOKGZDASA-N,"InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m1/s1",COC(=O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1,C17H20O9,pos_1_1proton,368.1107322199999,MZNIJRAPCCELQX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 38981,1464,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MZNIJRAPCCELQX-LQMUPLJOSA-N,"InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m0/s1",COC(=O)[C@]1(O)C[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](O)[C@@H](O)C1,C17H20O9,pos_1_1proton,368.1107322199999,MZNIJRAPCCELQX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera bournei,5746380.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera bournei'],7,3,8.5 38982,1464,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MZNIJRAPCCELQX-AWOKGZDASA-N,"InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m1/s1",COC(=O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1,C17H20O9,pos_1_1proton,368.1107322199999,MZNIJRAPCCELQX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 38976,1463,58,Polyketides,Glycerolipids,Glycosyldiacylglycerols,0.22813672,ISDB,DMHJDKJBUGFFAY-XWILHKPASA-N,"InChI=1S/C49H59N7O13/c1-3-4-5-6-10-13-38-43(69-38)49(67)55-41-27(2)68-40(61)26-51-47(65)42(29-14-16-31(57)17-15-29)56-46(64)37(23-30-25-50-34-19-18-32(58)24-33(30)34)53-44(62)35(20-21-39(59)60)52-45(63)36(54-48(41)66)22-28-11-8-7-9-12-28/h7-9,11-12,14-19,24-25,27,35-38,41-43,50,57-58H,3-6,10,13,20-23,26H2,1-2H3,(H,51,65)(H,52,63)(H,53,62)(H,54,66)(H,55,67)(H,56,64)(H,59,60)/t27-,35+,36+,37+,38?,41+,42+,43?/m1/s1",CCCCCCCC1OC1C(=O)N[C@@H]1C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc2c[nH]c3ccc(O)cc23)C(=O)N[C@@H](c2ccc(O)cc2)C(=O)NCC(=O)O[C@@H]1C,C49H59N7O13,,953.417084948,DMHJDKJBUGFFAY,,,,Kitasatospora cystarginea,119789.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Kitasatospora'],['Kitasatospora cystarginea'],0,0,0.9125468730926514 38971,1459,-1,,,,0.7561455,ISDB,MLMCOAUMNMJPGN-UHFFFAOYSA-N,"InChI=1S/C28H35N3O4/c1-23(2)10-9-16-18(35-23)8-7-17-20(16)29-21(32)27(17)14-26-15-31-12-11-25(5,34)28(31,22(33)30(26)6)13-19(26)24(27,3)4/h7-10,19,34H,11-15H2,1-6H3,(H,29,32)",CN1C(=O)C23CC4C1(CN2CCC3(C)O)CC1(C(=O)Nc2c1ccc1c2C=CC(C)(C)O1)C4(C)C,C28H35N3O4,,477.2627566,MLMCOAUMNMJPGN,Alkaloids,Peptide alkaloids,"Indole diketopiperazine alkaloids (L-Trp, L-Pro)",Penicillium simplicissimum,968742.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Penicillium'],['Penicillium simplicissimum'],1,0,4.0245819091796875 38972,1459,-1,,,,0.7561455,ISDB,MLMCOAUMNMJPGN-UHFFFAOYSA-N,"InChI=1S/C28H35N3O4/c1-23(2)10-9-16-18(35-23)8-7-17-20(16)29-21(32)27(17)14-26-15-31-12-11-25(5,34)28(31,22(33)30(26)6)13-19(26)24(27,3)4/h7-10,19,34H,11-15H2,1-6H3,(H,29,32)",CN1C(=O)C23CC4C1(CN2CCC3(C)O)CC1(C(=O)Nc2c1ccc1c2C=CC(C)(C)O1)C4(C)C,C28H35N3O4,,477.2627566,MLMCOAUMNMJPGN,Alkaloids,Peptide alkaloids,"Indole diketopiperazine alkaloids (L-Trp, L-Pro)",Penicillium paraherquei,44030.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Penicillium'],['Penicillium paraherquei'],1,0,4.0245819091796875 38973,1459,-1,,,,0.7561455,ISDB,MLMCOAUMNMJPGN-UHFFFAOYSA-N,"InChI=1S/C28H35N3O4/c1-23(2)10-9-16-18(35-23)8-7-17-20(16)29-21(32)27(17)14-26-15-31-12-11-25(5,34)28(31,22(33)30(26)6)13-19(26)24(27,3)4/h7-10,19,34H,11-15H2,1-6H3,(H,29,32)",CN1C(=O)C23CC4C1(CN2CCC3(C)O)CC1(C(=O)Nc2c1ccc1c2C=CC(C)(C)O1)C4(C)C,C28H35N3O4,,477.2627566,MLMCOAUMNMJPGN,Alkaloids,Peptide alkaloids,"Indole diketopiperazine alkaloids (L-Trp, L-Pro)",Penicillium brasilianum,565072.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Penicillium'],['Penicillium brasilianum'],1,0,4.0245819091796875 38974,1459,-1,,,,0.7561455,ISDB,MLMCOAUMNMJPGN-WGNDVSEMSA-N,"InChI=1S/C28H35N3O4/c1-23(2)10-9-16-18(35-23)8-7-17-20(16)29-21(32)27(17)14-26-15-31-12-11-25(5,34)28(31,22(33)30(26)6)13-19(26)24(27,3)4/h7-10,19,34H,11-15H2,1-6H3,(H,29,32)/t19-,25+,26-,27+,28-/m0/s1",CN1C(=O)[C@]23C[C@H]4C(C)(C)[C@@]5(C[C@]41CN2CC[C@@]3(C)O)C(=O)Nc1c5ccc2c1C=CC(C)(C)O2,C28H35N3O4,,477.2627566,MLMCOAUMNMJPGN,Alkaloids,Peptide alkaloids,"Indole diketopiperazine alkaloids (L-Trp, L-Pro)",Penicillium dierckxii,424442.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Penicillium'],['Penicillium dierckxii'],1,0,4.0245819091796875 38975,1459,-1,,,,0.7561455,ISDB,MLMCOAUMNMJPGN-WGNDVSEMSA-N,"InChI=1S/C28H35N3O4/c1-23(2)10-9-16-18(35-23)8-7-17-20(16)29-21(32)27(17)14-26-15-31-12-11-25(5,34)28(31,22(33)30(26)6)13-19(26)24(27,3)4/h7-10,19,34H,11-15H2,1-6H3,(H,29,32)/t19-,25+,26-,27+,28-/m0/s1",CN1C(=O)[C@]23C[C@H]4C(C)(C)[C@@]5(C[C@]41CN2CC[C@@]3(C)O)C(=O)Nc1c5ccc2c1C=CC(C)(C)O2,C28H35N3O4,,477.2627566,MLMCOAUMNMJPGN,Alkaloids,Peptide alkaloids,"Indole diketopiperazine alkaloids (L-Trp, L-Pro)",Penicillium charlesii,448568.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Penicillium'],['Penicillium charlesii'],1,0,4.0245819091796875 38970,1456,-1,,,,0.21366908,ISDB,,,,,,,IBUKXRINTKQBRQ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.8546763062477112 38969,1453,-1,,,,0.34962055,ISDB,JDGRHJLOLKKFQC-YAOIVLIJSA-N,"InChI=1S/C11H14O7/c12-4-6-7(13)9(15)10(16)11(18-6)8(14)5-2-1-3-17-5/h1-3,6-7,9-13,15-16H,4H2/t6-,7-,9+,10-,11+/m1/s1",O=C(c1ccco1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C11H14O7,,258.07395278800004,JDGRHJLOLKKFQC,,,,Scleropyrum pentandrum,443751.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Santalales'],['Santalaceae'],['Unknown'],['Scleropyrum'],['Scleropyrum pentandrum'],4,0,5.3984822034835815 38958,1448,-1,,,,0.0,MS1_match,BGDMXWQJUGENQP-QPCLWJSESA-N,"InChI=1S/C21H34O11/c1-9(2)3-15(25)32-20-16-11(4-13(24)12(16)5-22)10(7-29-20)8-30-21-19(28)18(27)17(26)14(6-23)31-21/h7,9,11-14,16-24,26-28H,3-6,8H2,1-2H3/t11-,12+,13+,14-,16+,17-,18+,19-,20+,21-/m1/s1",CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2C[C@H](O)[C@H](CO)[C@@H]12,C21H34O11,pos_1_sodium,462.2101119079999,BGDMXWQJUGENQP,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 38959,1448,-1,,,,0.0,MS1_match,BGDMXWQJUGENQP-QPCLWJSESA-N,"InChI=1S/C21H34O11/c1-9(2)3-15(25)32-20-16-11(4-13(24)12(16)5-22)10(7-29-20)8-30-21-19(28)18(27)17(26)14(6-23)31-21/h7,9,11-14,16-24,26-28H,3-6,8H2,1-2H3/t11-,12+,13+,14-,16+,17-,18+,19-,20+,21-/m1/s1",CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2C[C@H](O)[C@H](CO)[C@@H]12,C21H34O11,pos_1_sodium,462.2101119079999,BGDMXWQJUGENQP,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana fauriei,228778.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana fauriei'],6,0,6.0 38960,1448,-1,,,,0.0,MS1_match,BGDMXWQJUGENQP-QPCLWJSESA-N,"InChI=1S/C21H34O11/c1-9(2)3-15(25)32-20-16-11(4-13(24)12(16)5-22)10(7-29-20)8-30-21-19(28)18(27)17(26)14(6-23)31-21/h7,9,11-14,16-24,26-28H,3-6,8H2,1-2H3/t11-,12+,13+,14-,16+,17-,18+,19-,20+,21-/m1/s1",CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2C[C@H](O)[C@H](CO)[C@@H]12,C21H34O11,pos_1_sodium,462.2101119079999,BGDMXWQJUGENQP,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia gibbosa,231859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia gibbosa'],6,0,6.0 38961,1448,-1,,,,0.0,MS1_match,BGDMXWQJUGENQP-UHFFFAOYSA-N,"InChI=1S/C21H34O11/c1-9(2)3-15(25)32-20-16-11(4-13(24)12(16)5-22)10(7-29-20)8-30-21-19(28)18(27)17(26)14(6-23)31-21/h7,9,11-14,16-24,26-28H,3-6,8H2,1-2H3",CC(C)CC(=O)OC1OC=C(COC2OC(CO)C(O)C(O)C2O)C2CC(O)C(CO)C12,C21H34O11,pos_1_sodium,462.2101119079999,BGDMXWQJUGENQP,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia scabiosifolia,231856.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia scabiosifolia'],6,0,6.0 38962,1448,-1,,,,0.0,MS1_match,BGDMXWQJUGENQP-QPCLWJSESA-N,"InChI=1S/C21H34O11/c1-9(2)3-15(25)32-20-16-11(4-13(24)12(16)5-22)10(7-29-20)8-30-21-19(28)18(27)17(26)14(6-23)31-21/h7,9,11-14,16-24,26-28H,3-6,8H2,1-2H3/t11-,12+,13+,14-,16+,17-,18+,19-,20+,21-/m1/s1",CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2C[C@H](O)[C@H](CO)[C@@H]12,C21H34O11,pos_1_sodium,462.2101119079999,BGDMXWQJUGENQP,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 38963,1448,-1,,,,0.0,MS1_match,BGDMXWQJUGENQP-QPCLWJSESA-N,"InChI=1S/C21H34O11/c1-9(2)3-15(25)32-20-16-11(4-13(24)12(16)5-22)10(7-29-20)8-30-21-19(28)18(27)17(26)14(6-23)31-21/h7,9,11-14,16-24,26-28H,3-6,8H2,1-2H3/t11-,12+,13+,14-,16+,17-,18+,19-,20+,21-/m1/s1",CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2C[C@H](O)[C@H](CO)[C@@H]12,C21H34O11,pos_1_sodium,462.2101119079999,BGDMXWQJUGENQP,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana fauriei,228778.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana fauriei'],6,0,6.0 38964,1448,-1,,,,0.0,MS1_match,BGDMXWQJUGENQP-QPCLWJSESA-N,"InChI=1S/C21H34O11/c1-9(2)3-15(25)32-20-16-11(4-13(24)12(16)5-22)10(7-29-20)8-30-21-19(28)18(27)17(26)14(6-23)31-21/h7,9,11-14,16-24,26-28H,3-6,8H2,1-2H3/t11-,12+,13+,14-,16+,17-,18+,19-,20+,21-/m1/s1",CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2C[C@H](O)[C@H](CO)[C@@H]12,C21H34O11,pos_1_sodium,462.2101119079999,BGDMXWQJUGENQP,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia gibbosa,231859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia gibbosa'],6,0,6.0 38965,1448,-1,,,,0.0,MS1_match,BGDMXWQJUGENQP-UHFFFAOYSA-N,"InChI=1S/C21H34O11/c1-9(2)3-15(25)32-20-16-11(4-13(24)12(16)5-22)10(7-29-20)8-30-21-19(28)18(27)17(26)14(6-23)31-21/h7,9,11-14,16-24,26-28H,3-6,8H2,1-2H3",CC(C)CC(=O)OC1OC=C(COC2OC(CO)C(O)C(O)C2O)C2CC(O)C(CO)C12,C21H34O11,pos_1_sodium,462.2101119079999,BGDMXWQJUGENQP,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia scabiosifolia,231856.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia scabiosifolia'],6,0,6.0 38966,1448,-1,,,,0.0,MS1_match,RKKLMLPXHGWOKI-FXHXVMKNSA-N,"InChI=1S/C21H34O11/c1-10-5-31-21(11(2)3-4-12(10)21)9-30-18-16(25)15(24)14(23)13(32-18)6-28-19-17(26)20(27,7-22)8-29-19/h3,10,12-19,22-27H,4-9H2,1-2H3/t10-,12-,13-,14-,15+,16-,17+,18-,19-,20-,21-/m1/s1",CC1=CC[C@@H]2[C@H](C)CO[C@]12CO[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C21H34O11,pos_1_sodium,462.2101119079999,RKKLMLPXHGWOKI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia scabra,68239.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia scabra'],6,0,6.0 38967,1448,-1,,,,0.0,MS1_match,LANCLZFYVLANQS-RHMPUOGUSA-N,"InChI=1S/C21H34O11/c1-9(2)4-14(24)32-19-15-11(5-13(23)21(15,3)28)10(7-29-19)8-30-20-18(27)17(26)16(25)12(6-22)31-20/h7,9,11-13,15-20,22-23,25-28H,4-6,8H2,1-3H3/t11-,12-,13+,15-,16-,17+,18-,19+,20-,21-/m1/s1",CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2C[C@H](O)[C@@](C)(O)[C@@H]12,C21H34O11,pos_1_sodium,462.210111908,LANCLZFYVLANQS,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,0,6.0 38968,1448,-1,,,,0.0,MS1_match,LANCLZFYVLANQS-RHMPUOGUSA-N,"InChI=1S/C21H34O11/c1-9(2)4-14(24)32-19-15-11(5-13(23)21(15,3)28)10(7-29-19)8-30-20-18(27)17(26)16(25)12(6-22)31-20/h7,9,11-13,15-20,22-23,25-28H,4-6,8H2,1-3H3/t11-,12-,13+,15-,16-,17+,18-,19+,20-,21-/m1/s1",CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2C[C@H](O)[C@@](C)(O)[C@@H]12,C21H34O11,pos_1_sodium,462.210111908,LANCLZFYVLANQS,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia gibbosa,231859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia gibbosa'],6,0,6.0 38956,1446,-1,,,,0.0,MS1_match,ZNFRITHWVZXJRK-YHFBEQRYSA-N,"InChI=1S/C36H58O8/c1-31(2)14-16-36(30(41)42)17-15-34(6)20(21(36)18-31)8-9-24-33(5)12-11-25(32(3,4)23(33)10-13-35(24,34)7)44-29-28(40)27(39)26(38)22(19-37)43-29/h8,21-29,37-40H,9-19H2,1-7H3,(H,41,42)/t21-,22+,23-,24+,25-,26+,27-,28+,29-,33-,34+,35+,36-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C36H58O8,pos_1_1proton1isopropanol,618.413168816,ZNFRITHWVZXJRK,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis grata,5922971.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis grata'],8,0,8.0 38955,1444,-1,,,,0.30560356,ISDB,,,,,,,AGTPCXBHIGMTEU,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.222414255142212 38917,1443,-1,,,,0.4838767,ISDB,,,,,,,YDVDXUYJFQLPEG,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.935506820678711 38915,1441,-1,,,,0.60292405,ISDB,,,,,,,ZAFZFHLQBNISDI,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.411696195602417 38850,1440,15,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,0.77731615,ISDB,BXBVPYSHEOQGHP-UHFFFAOYSA-N,"InChI=1S/C17H26O4/c1-13(2)7-5-4-6-8-17(19)21-12-14-9-10-15(18)16(11-14)20-3/h9-11,13,18H,4-8,12H2,1-3H3",COc1cc(COC(=O)CCCCCC(C)C)ccc1O,C17H26O4,,294.183109312,BXBVPYSHEOQGHP,Alkaloids,Pseudoalkaloids,Capsaicins and Capsaicinoids,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],4,0,7.109264612197876 38680,1438,345,Shikimates and Phenylpropanoids,Lignans,Naphthalenes and derivatives,0.5643755,ISDB,VQTFXJZYQVWHJA-UHFFFAOYSA-N,"InChI=1S/C13H14O3/c1-8-6-9-4-5-10(14)13(16-3)12(9)11(7-8)15-2/h4-7,14H,1-3H3",COc1cc(C)cc2ccc(O)c(OC)c12,C13H14O3,,218.094294308,VQTFXJZYQVWHJA,Polyketides,Naphthalenes,Naphthalenes and derivatives,Diospyros celebica,1256.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ebenaceae'],['Unknown'],['Diospyros'],['Diospyros celebica'],4,3,7.75750207901001 38674,1436,280,Alkaloids,Monoterpenoids,Terpenoid alkaloids,0.0,MS1_match,MIQIFBIWUBAPTB-KJQQCQNYSA-N,"InChI=1S/C42H58N2O/c1-36-8-5-9-42-32(36)7-11-39-21-40(25(16-33(39)42)15-30(39)34(42)44(4)23-36)12-13-41-29-17-28-26-14-24-18-37(2,22-43(3)20-24)27(26)6-10-38(28,19-31(29)41)35(41)45-40/h17,24-25,29-35H,5-16,18-23H2,1-4H3/t24?,25-,29+,30?,31?,32+,33+,34?,35-,36-,37-,38+,39+,40-,41+,42-/m0/s1",CN1CC2CC3=C(CC[C@@]45CC6[C@@H](C=C34)[C@]63CC[C@@]4(C[C@]67CC[C@@H]8[C@@]9(C)CCC[C@]8%10C(C6C[C@H]4C[C@H]7%10)N(C)C9)O[C@@H]53)[C@@](C)(C2)C1,C42H58N2O,pos_2_2sodium,606.454914476,MIQIFBIWUBAPTB,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Staphisagria macrosperma,969162.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Staphisagria'],['Staphisagria macrosperma'],6,3,7.5 38675,1436,280,Alkaloids,Monoterpenoids,Terpenoid alkaloids,0.0,MS1_match,MIQIFBIWUBAPTB-KJQQCQNYSA-N,"InChI=1S/C42H58N2O/c1-36-8-5-9-42-32(36)7-11-39-21-40(25(16-33(39)42)15-30(39)34(42)44(4)23-36)12-13-41-29-17-28-26-14-24-18-37(2,22-43(3)20-24)27(26)6-10-38(28,19-31(29)41)35(41)45-40/h17,24-25,29-35H,5-16,18-23H2,1-4H3/t24?,25-,29+,30?,31?,32+,33+,34?,35-,36-,37-,38+,39+,40-,41+,42-/m0/s1",CN1CC2CC3=C(CC[C@@]45CC6[C@@H](C=C34)[C@]63CC[C@@]4(C[C@]67CC[C@@H]8[C@@]9(C)CCC[C@]8%10C(C6C[C@H]4C[C@H]7%10)N(C)C9)O[C@@H]53)[C@@](C)(C2)C1,C42H58N2O,pos_2_2sodium,606.454914476,MIQIFBIWUBAPTB,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium staphisagria,969162.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Staphisagria'],['Staphisagria macrosperma'],6,3,7.5 38673,1435,58,Polyketides,Glycerolipids,Glycosyldiacylglycerols,0.33835608,ISDB,,,,,,,SJXHOVSBAHNRQL,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.353424310684204 38553,1433,-1,,,,0.4403939,ISDB,SUPNVGRJWLPVJM-UHFFFAOYSA-N,"InChI=1S/C30H52O4/c1-17(2)30(34)14-13-27(6)20(30)9-12-28(7)24(27)18(31)15-21-26(5)11-10-22(33)25(3,4)23(26)19(32)16-29(21,28)8/h17-24,31-34H,9-16H2,1-8H3",CC(C)C1(O)CCC2(C)C1CCC1(C)C2C(O)CC2C3(C)CCC(O)C(C)(C)C3C(O)CC21C,C30H52O4,,476.386560144,SUPNVGRJWLPVJM,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Mollugo pentaphylla,161911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Molluginaceae'],['Unknown'],['Trigastrotheca'],['Trigastrotheca pentaphylla'],4,0,5.7615755796432495 38554,1433,-1,,,,0.4403939,ISDB,SUPNVGRJWLPVJM-UHFFFAOYSA-N,"InChI=1S/C30H52O4/c1-17(2)30(34)14-13-27(6)20(30)9-12-28(7)24(27)18(31)15-21-26(5)11-10-22(33)25(3,4)23(26)19(32)16-29(21,28)8/h17-24,31-34H,9-16H2,1-8H3",CC(C)C1(O)CCC2(C)C1CCC1(C)C2C(O)CC2C3(C)CCC(O)C(C)(C)C3C(O)CC21C,C30H52O4,,476.386560144,SUPNVGRJWLPVJM,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Trigastrotheca pentaphylla,161911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Molluginaceae'],['Unknown'],['Trigastrotheca'],['Trigastrotheca pentaphylla'],4,0,5.7615755796432495 38550,1430,200,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.0,MS1_match,XNBHVNRFMHXLMZ-ODLFONTESA-N,"InChI=1S/C20H32O6/c1-11(2)6-17(22)24-9-14-10-25-20(26-18(23)7-12(3)4)19-13(5)16(21)8-15(14)19/h10-13,15-16,19-21H,6-9H2,1-5H3/t13-,15+,16-,19+,20-/m0/s1",CC(C)CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@H](C)[C@@H](O)C[C@H]12,C20H32O6,pos_2MNa,368.219888744,XNBHVNRFMHXLMZ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana microphylla,21453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana microphylla'],6,0,6.0 38551,1430,200,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.0,MS1_match,XNBHVNRFMHXLMZ-ODLFONTESA-N,"InChI=1S/C20H32O6/c1-11(2)6-17(22)24-9-14-10-25-20(26-18(23)7-12(3)4)19-13(5)16(21)8-15(14)19/h10-13,15-16,19-21H,6-9H2,1-5H3/t13-,15+,16-,19+,20-/m0/s1",CC(C)CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@H](C)[C@@H](O)C[C@H]12,C20H32O6,pos_2MNa,368.219888744,XNBHVNRFMHXLMZ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia saniculifolia,139326.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia saniculifolia'],6,0,6.0 38552,1430,200,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.0,MS1_match,XNBHVNRFMHXLMZ-FJSYSMJUSA-N,"InChI=1S/C20H32O6/c1-11(2)6-17(22)24-9-14-10-25-20(26-18(23)7-12(3)4)19-13(5)16(21)8-15(14)19/h10-13,15-16,19-21H,6-9H2,1-5H3/t13-,15+,16-,19-,20-/m0/s1",CC(C)CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2[C@@H](C)[C@@H](O)C[C@H]12,C20H32O6,pos_2MNa,368.219888744,XNBHVNRFMHXLMZ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Nardostachys jatamansi,24101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Nardostachys'],['Nardostachys jatamansi'],6,0,6.0 38537,1429,242,Fatty acids,Sesquiterpenoids,Furans,0.58029175,ISDB,CTLVRIOTFRWXKP-BGTYHANMSA-N,"InChI=1S/C18H28O/c1-13-7-6-8-16-17(13,4)11-9-14(2)18(16,5)12-10-15(3)19/h6-7,14,16H,1,8-12H2,2-5H3/t14-,16-,17+,18+/m1/s1",C=C1C=CC[C@H]2[C@@](C)(CCC(C)=O)[C@H](C)CC[C@@]12C,C18H28O,,260.214015516,CTLVRIOTFRWXKP,Terpenoids,Sesquiterpenoids,,Parentucellia latifolia,981066.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Orobanchaceae'],['Rhinantheae'],['Parentucellia'],['Parentucellia latifolia'],4,2,7.3211669921875 38528,1428,541,Alkaloids,Monoterpenoids,Aporphine alkaloids,0.2615232,ISDB,KPVAJIDSYFXVKV-YKTCQIRHSA-N,"InChI=1S/C23H31NO5S/c1-18(2)16-21(25)17-19(3)11-14-29-22-8-6-20(7-9-22)10-13-24(4)23(26)12-15-30(5,27)28/h6-9,12,15-17H,10-11,13-14H2,1-5H3/b15-12+,19-17+",CC(C)=CC(=O)/C=C(\C)CCOc1ccc(CCN(C)C(=O)/C=C/S(C)(=O)=O)cc1,C23H31NO5S,,433.192294092,KPVAJIDSYFXVKV,Alkaloids,,,Glycosmis angustifolia,6125986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Glycosmis'],['Glycosmis angustifolia'],4,1,5.546092748641968 38526,1427,-1,,,,0.0,MS1_match,CCTSZLOYMHLMHP-UHFFFAOYSA-N,"InChI=1S/C10H16O5/c1-10(14)7(12)2-6-5(3-11)4-15-9(13)8(6)10/h5-8,11-12,14H,2-4H2,1H3",CC1(O)C(O)CC2C(CO)COC(=O)C21,C10H16O5,pos_2MHNH3,216.099773612,CCTSZLOYMHLMHP,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,0,6.0 38333,1424,-1,,,,0.29439577,ISDB,XMLSXPIVAXONDL-PLNGDYQASA-N,"InChI=1S/C11H16O/c1-3-4-5-6-10-9(2)7-8-11(10)12/h4-5H,3,6-8H2,1-2H3/b5-4-",CC/C=C\CC1=C(C)CCC1=O,C11H16O,,164.120115132,XMLSXPIVAXONDL,Fatty acids,Octadecanoids,Jasmonic acids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,8.17758309841156 38307,1422,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,YXHFXGHAELQJGK-NYIAETJKSA-N,"InChI=1S/C22H22O11/c1-31-14-4-8(2-3-9(14)24)13-6-12(27)16-10(25)5-11(26)17(21(16)32-13)22-20(30)19(29)18(28)15(7-23)33-22/h2-6,15,18-20,22-26,28-30H,7H2,1H3/t15?,18-,19+,20?,22-/m1/s1",COc1cc(-c2cc(=O)c3c(O)cc(O)c([C@H]4OC(CO)[C@@H](O)[C@H](O)C4O)c3o2)ccc1O,C22H22O11,pos_1_1proton,462.116211524,YXHFXGHAELQJGK,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Knautia tatarica,5512969.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Knautia'],['Knautia montana'],6,2,7.0 38308,1422,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,WKUHPOMCLBLCOV-MIUGBVLSSA-N,"InChI=1S/C22H22O11/c1-30-14-3-2-9(4-11(14)24)15-7-13(26)18-12(25)5-10(6-16(18)32-15)31-22-21(29)20(28)19(27)17(8-23)33-22/h2-7,17,19-25,27-29H,8H2,1H3/t17-,19-,20+,21-,22-/m1/s1",COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1O,C22H22O11,pos_1_1proton,462.1162115239998,WKUHPOMCLBLCOV,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Valeriana chionophila,6061606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana chionophila'],6,2,7.0 38309,1422,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,WKUHPOMCLBLCOV-MIUGBVLSSA-N,"InChI=1S/C22H22O11/c1-30-14-3-2-9(4-11(14)24)15-7-13(26)18-12(25)5-10(6-16(18)32-15)31-22-21(29)20(28)19(27)17(8-23)33-22/h2-7,17,19-25,27-29H,8H2,1H3/t17-,19-,20+,21-,22-/m1/s1",COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1O,C22H22O11,pos_1_1proton,462.1162115239998,WKUHPOMCLBLCOV,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Valeriana fedtschenkoi,139316.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana longiflora'],6,2,7.0 38310,1422,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JSUJHPSAVAWXEN-UHFFFAOYSA-N,"InChI=1S/C22H22O11/c1-30-14-7-13-16(11(25)6-12(31-13)9-2-4-10(24)5-3-9)18(27)21(14)33-22-20(29)19(28)17(26)15(8-23)32-22/h2-7,15,17,19-20,22-24,26-29H,8H2,1H3",COc1cc2oc(-c3ccc(O)cc3)cc(=O)c2c(O)c1OC1OC(CO)C(O)C(O)C1O,C22H22O11,pos_1_1proton,462.116211524,JSUJHPSAVAWXEN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cephalaria gigantea,3892199.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Cephalaria'],['Cephalaria gigantea'],6,2,7.0 38311,1422,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JSUJHPSAVAWXEN-SNRPTINQSA-N,"InChI=1S/C22H22O11/c1-30-14-7-13-16(11(25)6-12(31-13)9-2-4-10(24)5-3-9)18(27)21(14)33-22-20(29)19(28)17(26)15(8-23)32-22/h2-7,15,17,19-20,22-24,26-29H,8H2,1H3/t15-,17-,19+,20-,22+/m0/s1",COc1cc2oc(-c3ccc(O)cc3)cc(=O)c2c(O)c1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O,C22H22O11,pos_1_1proton,462.1162115239998,JSUJHPSAVAWXEN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Lomelosia olgae,6061317.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lomelosia'],['Lomelosia olgae'],6,2,7.0 38312,1422,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JSUJHPSAVAWXEN-SNRPTINQSA-N,"InChI=1S/C22H22O11/c1-30-14-7-13-16(11(25)6-12(31-13)9-2-4-10(24)5-3-9)18(27)21(14)33-22-20(29)19(28)17(26)15(8-23)32-22/h2-7,15,17,19-20,22-24,26-29H,8H2,1H3/t15-,17-,19+,20-,22+/m0/s1",COc1cc2oc(-c3ccc(O)cc3)cc(=O)c2c(O)c1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O,C22H22O11,pos_1_1proton,462.1162115239998,JSUJHPSAVAWXEN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Scabiosa atropurpurea,900954.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Scabiosa'],['Scabiosa atropurpurea'],6,2,7.0 38313,1422,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JSUJHPSAVAWXEN-UHFFFAOYSA-N,"InChI=1S/C22H22O11/c1-30-14-7-13-16(11(25)6-12(31-13)9-2-4-10(24)5-3-9)18(27)21(14)33-22-20(29)19(28)17(26)15(8-23)32-22/h2-7,15,17,19-20,22-24,26-29H,8H2,1H3",COc1cc2oc(-c3ccc(O)cc3)cc(=O)c2c(O)c1OC1OC(CO)C(O)C(O)C1O,C22H22O11,pos_1_1proton,462.116211524,JSUJHPSAVAWXEN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cephalaria gigantea,3892199.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Cephalaria'],['Cephalaria gigantea'],6,2,7.0 38314,1422,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JSUJHPSAVAWXEN-SNRPTINQSA-N,"InChI=1S/C22H22O11/c1-30-14-7-13-16(11(25)6-12(31-13)9-2-4-10(24)5-3-9)18(27)21(14)33-22-20(29)19(28)17(26)15(8-23)32-22/h2-7,15,17,19-20,22-24,26-29H,8H2,1H3/t15-,17-,19+,20-,22+/m0/s1",COc1cc2oc(-c3ccc(O)cc3)cc(=O)c2c(O)c1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O,C22H22O11,pos_1_1proton,462.1162115239998,JSUJHPSAVAWXEN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Lomelosia olgae,6061317.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lomelosia'],['Lomelosia olgae'],6,2,7.0 38315,1422,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JSUJHPSAVAWXEN-SNRPTINQSA-N,"InChI=1S/C22H22O11/c1-30-14-7-13-16(11(25)6-12(31-13)9-2-4-10(24)5-3-9)18(27)21(14)33-22-20(29)19(28)17(26)15(8-23)32-22/h2-7,15,17,19-20,22-24,26-29H,8H2,1H3/t15-,17-,19+,20-,22+/m0/s1",COc1cc2oc(-c3ccc(O)cc3)cc(=O)c2c(O)c1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O,C22H22O11,pos_1_1proton,462.1162115239998,JSUJHPSAVAWXEN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Scabiosa atropurpurea,900954.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Scabiosa'],['Scabiosa atropurpurea'],6,2,7.0 38316,1422,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,DLVLXOYLQKCAME-UHFFFAOYSA-N,"InChI=1S/C22H22O11/c1-31-13-6-14-16(11(26)5-12(32-14)8-2-3-9(24)10(25)4-8)19(28)17(13)22-21(30)20(29)18(27)15(7-23)33-22/h2-6,15,18,20-25,27-30H,7H2,1H3",COc1cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c(O)c1C1OC(CO)C(O)C(O)C1O,C22H22O11,pos_1_1proton,462.116211524,DLVLXOYLQKCAME,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cephalaria leucantha,518016.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Cephalaria'],['Cephalaria leucantha'],6,2,7.0 38317,1422,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,DLVLXOYLQKCAME-DGHBBABESA-N,"InChI=1S/C22H22O11/c1-31-13-6-14-16(11(26)5-12(32-14)8-2-3-9(24)10(25)4-8)19(28)17(13)22-21(30)20(29)18(27)15(7-23)33-22/h2-6,15,18,20-25,27-30H,7H2,1H3/t15-,18-,20+,21-,22+/m1/s1",COc1cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c(O)c1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C22H22O11,pos_1_1proton,462.1162115239999,DLVLXOYLQKCAME,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cephalaria uralensis,518016.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Cephalaria'],['Cephalaria leucantha'],6,2,7.0 38318,1422,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,DLVLXOYLQKCAME-DGHBBABESA-N,"InChI=1S/C22H22O11/c1-31-13-6-14-16(11(26)5-12(32-14)8-2-3-9(24)10(25)4-8)19(28)17(13)22-21(30)20(29)18(27)15(7-23)33-22/h2-6,15,18,20-25,27-30H,7H2,1H3/t15-,18-,20+,21-,22+/m1/s1",COc1cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c(O)c1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C22H22O11,pos_1_1proton,462.1162115239999,DLVLXOYLQKCAME,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Pterocephalus papposus,450630.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Pterocephalus'],['Pterocephalus papposus'],6,2,7.0 38319,1422,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,DLVLXOYLQKCAME-DGHBBABESA-N,"InChI=1S/C22H22O11/c1-31-13-6-14-16(11(26)5-12(32-14)8-2-3-9(24)10(25)4-8)19(28)17(13)22-21(30)20(29)18(27)15(7-23)33-22/h2-6,15,18,20-25,27-30H,7H2,1H3/t15-,18-,20+,21-,22+/m1/s1",COc1cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c(O)c1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C22H22O11,pos_1_1proton,462.1162115239999,DLVLXOYLQKCAME,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Pterocephalus plumosus,5746454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Pterocephalus'],['Pterocephalus plumosus'],6,2,7.0 38320,1422,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,DLVLXOYLQKCAME-DGHBBABESA-N,"InChI=1S/C22H22O11/c1-31-13-6-14-16(11(26)5-12(32-14)8-2-3-9(24)10(25)4-8)19(28)17(13)22-21(30)20(29)18(27)15(7-23)33-22/h2-6,15,18,20-25,27-30H,7H2,1H3/t15-,18-,20+,21-,22+/m1/s1",COc1cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c(O)c1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C22H22O11,pos_1_1proton,462.1162115239999,DLVLXOYLQKCAME,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Knautia montana,5512969.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Knautia'],['Knautia montana'],6,2,7.0 38321,1422,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,DLVLXOYLQKCAME-DGHBBABESA-N,"InChI=1S/C22H22O11/c1-31-13-6-14-16(11(26)5-12(32-14)8-2-3-9(24)10(25)4-8)19(28)17(13)22-21(30)20(29)18(27)15(7-23)33-22/h2-6,15,18,20-25,27-30H,7H2,1H3/t15-,18-,20+,21-,22+/m1/s1",COc1cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c(O)c1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C22H22O11,pos_1_1proton,462.1162115239999,DLVLXOYLQKCAME,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Knautia tatarica,5512969.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Knautia'],['Knautia montana'],6,2,7.0 38322,1422,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,DLVLXOYLQKCAME-UHFFFAOYSA-N,"InChI=1S/C22H22O11/c1-31-13-6-14-16(11(26)5-12(32-14)8-2-3-9(24)10(25)4-8)19(28)17(13)22-21(30)20(29)18(27)15(7-23)33-22/h2-6,15,18,20-25,27-30H,7H2,1H3",COc1cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c(O)c1C1OC(CO)C(O)C(O)C1O,C22H22O11,pos_1_1proton,462.116211524,DLVLXOYLQKCAME,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cephalaria leucantha,518016.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Cephalaria'],['Cephalaria leucantha'],6,2,7.0 38323,1422,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,DLVLXOYLQKCAME-DGHBBABESA-N,"InChI=1S/C22H22O11/c1-31-13-6-14-16(11(26)5-12(32-14)8-2-3-9(24)10(25)4-8)19(28)17(13)22-21(30)20(29)18(27)15(7-23)33-22/h2-6,15,18,20-25,27-30H,7H2,1H3/t15-,18-,20+,21-,22+/m1/s1",COc1cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c(O)c1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C22H22O11,pos_1_1proton,462.1162115239999,DLVLXOYLQKCAME,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cephalaria uralensis,518016.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Cephalaria'],['Cephalaria leucantha'],6,2,7.0 38324,1422,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,DLVLXOYLQKCAME-DGHBBABESA-N,"InChI=1S/C22H22O11/c1-31-13-6-14-16(11(26)5-12(32-14)8-2-3-9(24)10(25)4-8)19(28)17(13)22-21(30)20(29)18(27)15(7-23)33-22/h2-6,15,18,20-25,27-30H,7H2,1H3/t15-,18-,20+,21-,22+/m1/s1",COc1cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c(O)c1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C22H22O11,pos_1_1proton,462.1162115239999,DLVLXOYLQKCAME,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Pterocephalus papposus,450630.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Pterocephalus'],['Pterocephalus papposus'],6,2,7.0 38325,1422,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,DLVLXOYLQKCAME-DGHBBABESA-N,"InChI=1S/C22H22O11/c1-31-13-6-14-16(11(26)5-12(32-14)8-2-3-9(24)10(25)4-8)19(28)17(13)22-21(30)20(29)18(27)15(7-23)33-22/h2-6,15,18,20-25,27-30H,7H2,1H3/t15-,18-,20+,21-,22+/m1/s1",COc1cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c(O)c1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C22H22O11,pos_1_1proton,462.1162115239999,DLVLXOYLQKCAME,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Pterocephalus plumosus,5746454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Pterocephalus'],['Pterocephalus plumosus'],6,2,7.0 38326,1422,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,DLVLXOYLQKCAME-DGHBBABESA-N,"InChI=1S/C22H22O11/c1-31-13-6-14-16(11(26)5-12(32-14)8-2-3-9(24)10(25)4-8)19(28)17(13)22-21(30)20(29)18(27)15(7-23)33-22/h2-6,15,18,20-25,27-30H,7H2,1H3/t15-,18-,20+,21-,22+/m1/s1",COc1cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c(O)c1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C22H22O11,pos_1_1proton,462.1162115239999,DLVLXOYLQKCAME,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Knautia montana,5512969.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Knautia'],['Knautia montana'],6,2,7.0 38327,1422,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,DLVLXOYLQKCAME-DGHBBABESA-N,"InChI=1S/C22H22O11/c1-31-13-6-14-16(11(26)5-12(32-14)8-2-3-9(24)10(25)4-8)19(28)17(13)22-21(30)20(29)18(27)15(7-23)33-22/h2-6,15,18,20-25,27-30H,7H2,1H3/t15-,18-,20+,21-,22+/m1/s1",COc1cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c(O)c1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C22H22O11,pos_1_1proton,462.1162115239999,DLVLXOYLQKCAME,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Knautia tatarica,5512969.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Knautia'],['Knautia montana'],6,2,7.0 38328,1422,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,YXHFXGHAELQJGK-NYIAETJKSA-N,"InChI=1S/C22H22O11/c1-31-14-4-8(2-3-9(14)24)13-6-12(27)16-10(25)5-11(26)17(21(16)32-13)22-20(30)19(29)18(28)15(7-23)33-22/h2-6,15,18-20,22-26,28-30H,7H2,1H3/t15?,18-,19+,20?,22-/m1/s1",COc1cc(-c2cc(=O)c3c(O)cc(O)c([C@H]4OC(CO)[C@@H](O)[C@H](O)C4O)c3o2)ccc1O,C22H22O11,pos_1_1proton,462.116211524,YXHFXGHAELQJGK,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Knautia montana,5512969.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Knautia'],['Knautia montana'],6,2,7.0 38329,1422,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,YXHFXGHAELQJGK-NYIAETJKSA-N,"InChI=1S/C22H22O11/c1-31-14-4-8(2-3-9(14)24)13-6-12(27)16-10(25)5-11(26)17(21(16)32-13)22-20(30)19(29)18(28)15(7-23)33-22/h2-6,15,18-20,22-26,28-30H,7H2,1H3/t15?,18-,19+,20?,22-/m1/s1",COc1cc(-c2cc(=O)c3c(O)cc(O)c([C@H]4OC(CO)[C@@H](O)[C@H](O)C4O)c3o2)ccc1O,C22H22O11,pos_1_1proton,462.116211524,YXHFXGHAELQJGK,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Knautia tatarica,5512969.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Knautia'],['Knautia montana'],6,2,7.0 38330,1422,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,YXHFXGHAELQJGK-NYIAETJKSA-N,"InChI=1S/C22H22O11/c1-31-14-4-8(2-3-9(14)24)13-6-12(27)16-10(25)5-11(26)17(21(16)32-13)22-20(30)19(29)18(28)15(7-23)33-22/h2-6,15,18-20,22-26,28-30H,7H2,1H3/t15?,18-,19+,20?,22-/m1/s1",COc1cc(-c2cc(=O)c3c(O)cc(O)c([C@H]4OC(CO)[C@@H](O)[C@H](O)C4O)c3o2)ccc1O,C22H22O11,pos_1_1proton,462.116211524,YXHFXGHAELQJGK,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Knautia montana,5512969.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Knautia'],['Knautia montana'],6,2,7.0 38331,1422,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,WKUHPOMCLBLCOV-MIUGBVLSSA-N,"InChI=1S/C22H22O11/c1-30-14-3-2-9(4-11(14)24)15-7-13(26)18-12(25)5-10(6-16(18)32-15)31-22-21(29)20(28)19(27)17(8-23)33-22/h2-7,17,19-25,27-29H,8H2,1H3/t17-,19-,20+,21-,22-/m1/s1",COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1O,C22H22O11,pos_1_1proton,462.1162115239998,WKUHPOMCLBLCOV,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Valeriana fedtschenkoi,139316.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana longiflora'],6,2,7.0 38332,1422,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,WKUHPOMCLBLCOV-MIUGBVLSSA-N,"InChI=1S/C22H22O11/c1-30-14-3-2-9(4-11(14)24)15-7-13(26)18-12(25)5-10(6-16(18)32-15)31-22-21(29)20(28)19(27)17(8-23)33-22/h2-7,17,19-25,27-29H,8H2,1H3/t17-,19-,20+,21-,22-/m1/s1",COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1O,C22H22O11,pos_1_1proton,462.1162115239998,WKUHPOMCLBLCOV,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Valeriana chionophila,6061606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana chionophila'],6,2,7.0 38269,1421,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.59915066,ISDB,JCJMEMDHUZYVMB-OAAMNHTFSA-N,"InChI=1S/C19H34O3/c1-3-4-5-6-8-11-14-17-18(22-17)15-12-9-7-10-13-16-19(20)21-2/h8,11,17-18H,3-7,9-10,12-16H2,1-2H3/b11-8-/t17-,18+/m1/s1",CCCCC/C=C\C[C@H]1O[C@H]1CCCCCCCC(=O)OC,C19H34O3,,310.250794948,JCJMEMDHUZYVMB,Fatty acids,Fatty Acids and Conjugates,Epoxy fatty acids,Aster alpinus,264974.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Aster'],['Aster alpinus'],4,2,7.396602630615234 38084,1420,1069,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,0.67812705,ISDB,XWPFSIAQJJWHLN-IERDGZPVSA-N,"InChI=1S/C23H24O6/c1-12(2)5-6-13-7-15-21-16(10-26-22(15)23(25-4)20(13)24-3)14-8-18-19(28-11-27-18)9-17(14)29-21/h5,7-9,16,21H,6,10-11H2,1-4H3/t16-,21+/m1/s1",COc1c(CC=C(C)C)cc2c(c1OC)OC[C@@H]1c3cc4c(cc3O[C@@H]21)OCO4,C23H24O6,,396.157288488,XWPFSIAQJJWHLN,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,Neorautanenia mitis,324035.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Neorautanenia'],['Neorautanenia mitis'],4,3,8.212508201599121 38085,1420,1069,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,0.67812705,ISDB,XWPFSIAQJJWHLN-IERDGZPVSA-N,"InChI=1S/C23H24O6/c1-12(2)5-6-13-7-15-21-16(10-26-22(15)23(25-4)20(13)24-3)14-8-18-19(28-11-27-18)9-17(14)29-21/h5,7-9,16,21H,6,10-11H2,1-4H3/t16-,21+/m1/s1",COc1c(CC=C(C)C)cc2c(c1OC)OC[C@@H]1c3cc4c(cc3O[C@@H]21)OCO4,C23H24O6,,396.157288488,XWPFSIAQJJWHLN,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,Neorautanenia amboensis,3922100.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Neorautanenia'],['Neorautanenia amboensis'],4,3,8.212508201599121 37992,1419,607,Terpenoids,Sesquiterpenoids,Drimane sesquiterpenoids,0.4786363,ISDB,OCLUXIQGSXDQNA-WCQYABFASA-N,"InChI=1S/C13H16O3/c1-13-5-4-9-10(7-16-12(9)15)11(13)3-2-8(14)6-13/h11H,2-7H2,1H3/t11-,13+/m0/s1",C[C@]12CCC3=C(COC3=O)[C@@H]1CCC(=O)C2,C13H16O3,,220.109944372,OCLUXIQGSXDQNA,Terpenoids,Sesquiterpenoids,Drimane sesquiterpenoids,Tripterygium wilfordii,300831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium wilfordii'],6,3,9.414545178413391 37991,1418,-1,,,,0.0,MS1_match,HGQDVTBUGONPNS-XIKSMUEASA-N,"InChI=1S/C20H24O12/c1-9-6-14(7-16(25)27-9)31-20-19(30-13(5)24)18(29-12(4)23)17(28-11(3)22)15(32-20)8-26-10(2)21/h6-7,15,17-20H,8H2,1-5H3/t15-,17-,18+,19-,20-/m1/s1",CC(=O)OC[C@H]1O[C@@H](Oc2cc(C)oc(=O)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C20H24O12,pos_1_sodium,456.126776208,HGQDVTBUGONPNS,,,,Delphinium gracile,209872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium gracile'],6,0,6.0 37944,1415,200,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.0,MS1_match,HKQZUYOVMYOFIT-JEJCSOMWSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19-,20+,21+,22-/m1/s1",CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C22H35NO4,pos_2MHNH3,377.2566085999999,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium pentagynum,782529.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium pentagynum'],6,0,6.0 37945,1415,200,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.0,MS1_match,HKQZUYOVMYOFIT-JEJCSOMWSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19-,20+,21+,22-/m1/s1",CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C22H35NO4,pos_2MHNH3,377.2566085999999,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum lethale,6131432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum lethale'],6,0,6.0 37946,1415,200,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.0,MS1_match,HKQZUYOVMYOFIT-JEJCSOMWSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19-,20+,21+,22-/m1/s1",CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C22H35NO4,pos_2MHNH3,377.2566085999999,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum falconeri,6131385.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum falconeri'],6,0,6.0 37947,1415,200,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.0,MS1_match,HKQZUYOVMYOFIT-UHFFFAOYSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3",CCN1CC2(C)CCC(O)C34C5CC6C(OC)CC(O)(C(CC23)C14)C5C6O,C22H35NO4,pos_2MHNH3,377.2566086,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum japonicum,5511352.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum japonicum'],6,0,6.0 37948,1415,200,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.0,MS1_match,HKQZUYOVMYOFIT-UHFFFAOYSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3",CCN1CC2(C)CCC(O)C34C5CC6C(OC)CC(O)(C(CC23)C14)C5C6O,C22H35NO4,pos_2MHNH3,377.2566086,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum carmichaelii,549536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum carmichaelii'],6,0,6.0 37949,1415,200,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.0,MS1_match,HKQZUYOVMYOFIT-VHNBHZRZSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19?,20+,21+,22-/m1/s1",CCN1C[C@]2(C)CC[C@H](O)[C@]34C1[C@H](C[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C22H35NO4,pos_2MHNH3,377.2566085999999,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium davisii,6131635.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium davisii'],6,0,6.0 37950,1415,200,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.0,MS1_match,HKQZUYOVMYOFIT-ZRNHKMHYSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13?,14+,15-,16+,17-,18+,19?,20+,21+,22?/m1/s1",CCN1C[C@]2(C)CC[C@H](O)C34C1C(C[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C22H35NO4,pos_2MHNH3,377.2566086,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium nuttallianum,643524.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium nuttallianum'],6,0,6.0 37951,1415,200,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.0,MS1_match,HKQZUYOVMYOFIT-ZRNHKMHYSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13?,14+,15-,16+,17-,18+,19?,20+,21+,22?/m1/s1",CCN1C[C@]2(C)CC[C@H](O)C34C1C(C[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C22H35NO4,pos_2MHNH3,377.2566086,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum vilmorinianum,976183.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum vilmorinianum'],6,0,6.0 37952,1415,200,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.0,MS1_match,HKQZUYOVMYOFIT-UHFFFAOYSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3",CCN1CC2(C)CCC(O)C34C5CC6C(OC)CC(O)(C(CC23)C14)C5C6O,C22H35NO4,pos_2MHNH3,377.2566086,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum napellus,586780.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum napellus'],6,0,6.0 37953,1415,200,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.0,MS1_match,HKQZUYOVMYOFIT-JEJCSOMWSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19-,20+,21+,22-/m1/s1",CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C22H35NO4,pos_2MHNH3,377.2566085999999,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium crispulum,309502.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium crispulum'],6,0,6.0 37954,1415,200,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.0,MS1_match,HKQZUYOVMYOFIT-UHFFFAOYSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3",CCN1CC2(C)CCC(O)C34C5CC6C(OC)CC(O)(C(CC23)C14)C5C6O,C22H35NO4,pos_2MHNH3,377.2566086,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum carmichaeli,549536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum carmichaelii'],6,0,6.0 37955,1415,200,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.0,MS1_match,VCOQRRVEIUTMFC-OVENPUKKSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-11-5-6-17(27-3)22-13(11)8-15(20(22)23)21(25)9-16(26-2)12-7-14(22)18(21)19(12)24/h11-20,24-25H,4-10H2,1-3H3/t11-,12+,13?,14?,15?,16-,17?,18?,19?,20+,21-,22?/m0/s1",CCN1C[C@@H]2CCC(OC)C34C5C[C@H]6C(O)C5[C@](O)(C[C@@H]6OC)C(CC23)[C@@H]14,C22H35NO4,pos_2MHNH3,377.2566086,VCOQRRVEIUTMFC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum napellus,586780.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum napellus'],6,0,6.0 37956,1415,200,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.0,MS1_match,VCOQRRVEIUTMFC-UHFFFAOYSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-11-5-6-17(27-3)22-13(11)8-15(20(22)23)21(25)9-16(26-2)12-7-14(22)18(21)19(12)24/h11-20,24-25H,4-10H2,1-3H3",CCN1CC2CCC(OC)C34C2CC(C13)C1(O)CC(OC)C2CC4C1C2O,C22H35NO4,pos_2MHNH3,377.2566086,VCOQRRVEIUTMFC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum monticola,625485.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum monticola'],6,0,6.0 37957,1415,200,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.0,MS1_match,VCOQRRVEIUTMFC-UHFFFAOYSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-11-5-6-17(27-3)22-13(11)8-15(20(22)23)21(25)9-16(26-2)12-7-14(22)18(21)19(12)24/h11-20,24-25H,4-10H2,1-3H3",CCN1CC2CCC(OC)C34C2CC(C13)C1(O)CC(OC)C2CC4C1C2O,C22H35NO4,pos_2MHNH3,377.2566086,VCOQRRVEIUTMFC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum campylorrhynchum,117075.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum campylorrhynchum'],6,0,6.0 37958,1415,200,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.0,MS1_match,VCOQRRVEIUTMFC-UHFFFAOYSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-11-5-6-17(27-3)22-13(11)8-15(20(22)23)21(25)9-16(26-2)12-7-14(22)18(21)19(12)24/h11-20,24-25H,4-10H2,1-3H3",CCN1CC2CCC(OC)C34C2CC(C13)C1(O)CC(OC)C2CC4C1C2O,C22H35NO4,pos_2MHNH3,377.2566086,VCOQRRVEIUTMFC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum pseudostapfianum,1073593.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum tuguancunense'],6,0,6.0 37959,1415,200,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.0,MS1_match,VCOQRRVEIUTMFC-UHFFFAOYSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-11-5-6-17(27-3)22-13(11)8-15(20(22)23)21(25)9-16(26-2)12-7-14(22)18(21)19(12)24/h11-20,24-25H,4-10H2,1-3H3",CCN1CC2CCC(OC)C34C2CC(C13)C1(O)CC(OC)C2CC4C1C2O,C22H35NO4,pos_2MHNH3,377.2566086,VCOQRRVEIUTMFC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum piepunense,384357.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum piepunense'],6,0,6.0 37960,1415,200,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.0,MS1_match,VCOQRRVEIUTMFC-IZGTZTBCSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-11-5-6-17(27-3)22-13(11)8-15(20(22)23)21(25)9-16(26-2)12-7-14(22)18(21)19(12)24/h11-20,24-25H,4-10H2,1-3H3/t11-,12+,13+,14+,15-,16-,17-,18+,19-,20+,21-,22-/m0/s1",CCN1C[C@@H]2CC[C@H](OC)[C@@]34[C@@H]2C[C@@H]([C@@H]13)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C22H35NO4,pos_2MHNH3,377.2566086,VCOQRRVEIUTMFC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum toxicum,5737811.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum toxicum'],6,0,6.0 37961,1415,200,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.0,MS1_match,VCOQRRVEIUTMFC-OVENPUKKSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-11-5-6-17(27-3)22-13(11)8-15(20(22)23)21(25)9-16(26-2)12-7-14(22)18(21)19(12)24/h11-20,24-25H,4-10H2,1-3H3/t11-,12+,13?,14?,15?,16-,17?,18?,19?,20+,21-,22?/m0/s1",CCN1C[C@@H]2CCC(OC)C34C5C[C@H]6C(O)C5[C@](O)(C[C@@H]6OC)C(CC23)[C@@H]14,C22H35NO4,pos_2MHNH3,377.2566086,VCOQRRVEIUTMFC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum contortum,909683.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum contortum'],6,0,6.0 37962,1415,200,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.0,MS1_match,UIVVIYORXDFKKO-IGWUHLPXSA-N,"InChI=1S/C22H35NO4/c1-3-23-10-19(2)6-5-16(25)22-14(19)9-13(17(22)23)20-7-4-12(8-15(20)22)21(27,11-24)18(20)26/h12-18,24-27H,3-11H2,1-2H3/t12-,13-,14+,15+,16-,17+,18-,19-,20-,21-,22-/m0/s1",CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@@H]2C[C@@H]([C@@H]13)[C@@]12CC[C@@H](C[C@H]14)[C@@](O)(CO)[C@H]2O,C22H35NO4,pos_2MHNH3,377.2566086,UIVVIYORXDFKKO,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium crispulum,309502.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium crispulum'],6,0,6.0 37963,1415,200,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.0,MS1_match,UIVVIYORXDFKKO-IGWUHLPXSA-N,"InChI=1S/C22H35NO4/c1-3-23-10-19(2)6-5-16(25)22-14(19)9-13(17(22)23)20-7-4-12(8-15(20)22)21(27,11-24)18(20)26/h12-18,24-27H,3-11H2,1-2H3/t12-,13-,14+,15+,16-,17+,18-,19-,20-,21-,22-/m0/s1",CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@@H]2C[C@@H]([C@@H]13)[C@@]12CC[C@@H](C[C@H]14)[C@@](O)(CO)[C@H]2O,C22H35NO4,pos_2MHNH3,377.2566086,UIVVIYORXDFKKO,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium linearilobum,7591246.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium linearilobum'],6,0,6.0 37964,1415,200,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.0,MS1_match,KEXOMXFRKYKFSR-UNIHHUBBSA-N,"InChI=1S/C22H35NO4/c1-3-23-10-19(2)14-9-13-17(23)21(14,7-5-16(19)25)15-8-12-4-6-20(13,15)18(26)22(12,27)11-24/h12-18,24-27H,3-11H2,1-2H3/t12-,13-,14+,15+,16+,17+,18-,19-,20-,21-,22-/m0/s1",CCN1C[C@]2(C)[C@H](O)CC[C@@]34[C@@H]5C[C@@H]6CC[C@]5([C@H](O)[C@]6(O)CO)[C@@H](C[C@H]23)[C@@H]14,C22H35NO4,pos_2MHNH3,377.2566086,KEXOMXFRKYKFSR,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum cochleare,7591220.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum cochleare'],6,0,6.0 37965,1415,200,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.0,MS1_match,VCOQRRVEIUTMFC-OVENPUKKSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-11-5-6-17(27-3)22-13(11)8-15(20(22)23)21(25)9-16(26-2)12-7-14(22)18(21)19(12)24/h11-20,24-25H,4-10H2,1-3H3/t11-,12+,13?,14?,15?,16-,17?,18?,19?,20+,21-,22?/m0/s1",CCN1C[C@@H]2CCC(OC)C34C5C[C@H]6C(O)C5[C@](O)(C[C@@H]6OC)C(CC23)[C@@H]14,C22H35NO4,pos_2MHNH3,377.2566086,VCOQRRVEIUTMFC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum forrestii,556432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum forrestii'],6,0,6.0 37966,1415,200,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.0,MS1_match,HKGMHDMSESOCGT-YISBXEQFSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(27-3)22-12-7-11-14(24)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13+,14-,15-,16+,17-,18+,19-,20+,21+,22-/m1/s1",CCN1C[C@]2(C)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@H]6O)[C@@H](C[C@H]23)[C@@H]14,C22H35NO4,pos_2MHNH3,377.2566086,HKGMHDMSESOCGT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum geniculatum,97187.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum geniculatum'],6,0,6.0 37967,1415,200,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.0,MS1_match,HKQZUYOVMYOFIT-UHFFFAOYSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3",CCN1CC2(C)CCC(O)C34C5CC6C(OC)CC(O)(C(CC23)C14)C5C6O,C22H35NO4,pos_2MHNH3,377.2566086,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum kusnezoffii,141633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum kusnezoffii'],6,0,6.0 37968,1415,200,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.0,MS1_match,HKQZUYOVMYOFIT-ZRNHKMHYSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13?,14+,15-,16+,17-,18+,19?,20+,21+,22?/m1/s1",CCN1C[C@]2(C)CC[C@H](O)C34C1C(C[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C22H35NO4,pos_2MHNH3,377.2566086,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum soongaricum,5143682.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum soongaricum'],6,0,6.0 37969,1415,200,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.0,MS1_match,HKQZUYOVMYOFIT-DSGMTPGBSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19-,20-,21+,22-/m1/s1",CCN1C[C@@]2(C)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C22H35NO4,pos_2MHNH3,377.2566086,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum karakolicum,44345.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum karakolicum'],6,0,6.0 37970,1415,200,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.0,MS1_match,HKQZUYOVMYOFIT-ZRNHKMHYSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13?,14+,15-,16+,17-,18+,19?,20+,21+,22?/m1/s1",CCN1C[C@]2(C)CC[C@H](O)C34C1C(C[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C22H35NO4,pos_2MHNH3,377.2566086,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium poltaratzkii,6131764.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium poltaratzkii'],6,0,6.0 37971,1415,200,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.0,MS1_match,HKQZUYOVMYOFIT-JEJCSOMWSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19-,20+,21+,22-/m1/s1",CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C22H35NO4,pos_2MHNH3,377.2566085999999,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum variegatum,586783.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum variegatum'],6,0,6.0 37972,1415,200,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.0,MS1_match,HKQZUYOVMYOFIT-ZRNHKMHYSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13?,14+,15-,16+,17-,18+,19?,20+,21+,22?/m1/s1",CCN1C[C@]2(C)CC[C@H](O)C34C1C(C[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C22H35NO4,pos_2MHNH3,377.2566086,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum soongaricum,5143682.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum soongaricum'],6,0,6.0 37973,1415,200,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.0,MS1_match,HKQZUYOVMYOFIT-JEJCSOMWSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19-,20+,21+,22-/m1/s1",CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C22H35NO4,pos_2MHNH3,377.2566085999999,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium bicolor,591163.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium bicolor'],6,0,6.0 37974,1415,200,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.0,MS1_match,HKQZUYOVMYOFIT-UHFFFAOYSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3",CCN1CC2(C)CCC(O)C34C5CC6C(OC)CC(O)(C(CC23)C14)C5C6O,C22H35NO4,pos_2MHNH3,377.2566086,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum kusnezoffii,141633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum kusnezoffii'],6,0,6.0 37975,1415,200,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.0,MS1_match,HKQZUYOVMYOFIT-UHFFFAOYSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3",CCN1CC2(C)CCC(O)C34C5CC6C(OC)CC(O)(C(CC23)C14)C5C6O,C22H35NO4,pos_2MHNH3,377.2566086,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum carmichaeli,549536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum carmichaelii'],6,0,6.0 37976,1415,200,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.0,MS1_match,HKQZUYOVMYOFIT-JEJCSOMWSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19-,20+,21+,22-/m1/s1",CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C22H35NO4,pos_2MHNH3,377.2566085999999,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum lethale,6131432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum lethale'],6,0,6.0 37977,1415,200,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.0,MS1_match,HKQZUYOVMYOFIT-JEJCSOMWSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19-,20+,21+,22-/m1/s1",CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C22H35NO4,pos_2MHNH3,377.2566085999999,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum falconeri,6131385.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum falconeri'],6,0,6.0 37978,1415,200,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.0,MS1_match,HKQZUYOVMYOFIT-JEJCSOMWSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19-,20+,21+,22-/m1/s1",CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C22H35NO4,pos_2MHNH3,377.2566085999999,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium bicolor,591163.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium bicolor'],6,0,6.0 37979,1415,200,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.0,MS1_match,HKQZUYOVMYOFIT-UHFFFAOYSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3",CCN1CC2(C)CCC(O)C34C5CC6C(OC)CC(O)(C(CC23)C14)C5C6O,C22H35NO4,pos_2MHNH3,377.2566086,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum japonicum,5511352.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum japonicum'],6,0,6.0 37980,1415,200,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.0,MS1_match,HKQZUYOVMYOFIT-VHNBHZRZSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19?,20+,21+,22-/m1/s1",CCN1C[C@]2(C)CC[C@H](O)[C@]34C1[C@H](C[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C22H35NO4,pos_2MHNH3,377.2566085999999,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium davisii,6131635.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium davisii'],6,0,6.0 37981,1415,200,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.0,MS1_match,HKQZUYOVMYOFIT-ZRNHKMHYSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13?,14+,15-,16+,17-,18+,19?,20+,21+,22?/m1/s1",CCN1C[C@]2(C)CC[C@H](O)C34C1C(C[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C22H35NO4,pos_2MHNH3,377.2566086,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium nuttallianum,643524.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium nuttallianum'],6,0,6.0 37982,1415,200,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.0,MS1_match,HKQZUYOVMYOFIT-ZRNHKMHYSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13?,14+,15-,16+,17-,18+,19?,20+,21+,22?/m1/s1",CCN1C[C@]2(C)CC[C@H](O)C34C1C(C[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C22H35NO4,pos_2MHNH3,377.2566086,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum vilmorinianum,976183.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum vilmorinianum'],6,0,6.0 37983,1415,200,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.0,MS1_match,HKQZUYOVMYOFIT-UHFFFAOYSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3",CCN1CC2(C)CCC(O)C34C5CC6C(OC)CC(O)(C(CC23)C14)C5C6O,C22H35NO4,pos_2MHNH3,377.2566086,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum napellus,586780.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum napellus'],6,0,6.0 37984,1415,200,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.0,MS1_match,HKQZUYOVMYOFIT-JEJCSOMWSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19-,20+,21+,22-/m1/s1",CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C22H35NO4,pos_2MHNH3,377.2566085999999,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium crispulum,309502.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium crispulum'],6,0,6.0 37985,1415,200,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.0,MS1_match,HKQZUYOVMYOFIT-JEJCSOMWSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19-,20+,21+,22-/m1/s1",CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C22H35NO4,pos_2MHNH3,377.2566085999999,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium pentagynum,782529.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium pentagynum'],6,0,6.0 37986,1415,200,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.0,MS1_match,HKQZUYOVMYOFIT-DSGMTPGBSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19-,20-,21+,22-/m1/s1",CCN1C[C@@]2(C)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C22H35NO4,pos_2MHNH3,377.2566086,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum karakolicum,44345.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum karakolicum'],6,0,6.0 37987,1415,200,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.0,MS1_match,HKQZUYOVMYOFIT-ZRNHKMHYSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13?,14+,15-,16+,17-,18+,19?,20+,21+,22?/m1/s1",CCN1C[C@]2(C)CC[C@H](O)C34C1C(C[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O,C22H35NO4,pos_2MHNH3,377.2566086,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium poltaratzkii,6131764.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium poltaratzkii'],6,0,6.0 37988,1415,200,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.0,MS1_match,HKQZUYOVMYOFIT-JEJCSOMWSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19-,20+,21+,22-/m1/s1",CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C22H35NO4,pos_2MHNH3,377.2566085999999,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum variegatum,586783.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum variegatum'],6,0,6.0 37989,1415,200,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.0,MS1_match,HKQZUYOVMYOFIT-UHFFFAOYSA-N,"InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3",CCN1CC2(C)CCC(O)C34C5CC6C(OC)CC(O)(C(CC23)C14)C5C6O,C22H35NO4,pos_2MHNH3,377.2566086,HKQZUYOVMYOFIT,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum carmichaelii,549536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum carmichaelii'],6,0,6.0 37990,1415,200,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.0,MS1_match,MDCQBGQVDRLEGB-SZDRHTRBSA-N,"InChI=1S/C22H35NO4/c1-4-23-11-19(2)7-6-15(27-3)22-14(19)9-13(18(22)23)20(25)8-5-12-10-21(22,26)17(20)16(12)24/h12-18,24-26H,4-11H2,1-3H3/t12-,13-,14+,15-,16-,17+,18+,19-,20-,21-,22-/m0/s1",CCN1C[C@]2(C)CC[C@H](OC)[C@@]34[C@@H]2C[C@@H]([C@@H]13)[C@@]1(O)CC[C@H]2C[C@]4(O)[C@@H]1[C@H]2O,C22H35NO4,pos_2MHNH3,377.2566086,MDCQBGQVDRLEGB,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum racemulosum,892121.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum racemulosum'],6,0,6.0 37938,1414,7,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.0,MS1_match,KBPHJBAIARWVSC-RGZFRNHPSA-N,"InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-25,35-37,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36+,37-/m0/s1",CC1=C[C@H](O)CC(C)(C)[C@H]1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C,C40H56O2,pos_1_1sodium1acetonitrile,568.4280310319999,KBPHJBAIARWVSC,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-ε)",Ranunculus acris,387818.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus acris'],6,2,7.0 37939,1414,7,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.0,MS1_match,KBPHJBAIARWVSC-IRHPOQNPSA-N,"InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-25,35-37,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36-,37+/m1/s1",CC1=C[C@@H](O)CC(C)(C)[C@H]1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C,C40H56O2,pos_1_1sodium1acetonitrile,568.4280310319999,KBPHJBAIARWVSC,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-ε)",Caltha palustris,387810.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Caltheae'],['Caltha'],['Caltha palustris'],6,2,7.0 37940,1414,7,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.0,MS1_match,KBPHJBAIARWVSC-UHFFFAOYSA-N,"InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-25,35-37,41-42H,26-28H2,1-10H3",CC(C=CC=C(C)C=CC1=C(C)CC(O)CC1(C)C)=CC=CC=C(C)C=CC=C(C)C=CC1C(C)=CC(O)CC1(C)C,C40H56O2,pos_1_1sodium1acetonitrile,568.4280310319999,KBPHJBAIARWVSC,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-ε)",Aconitum burnatii,3944952.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum burnatii'],6,2,7.0 37941,1414,7,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.0,MS1_match,KBPHJBAIARWVSC-RGZFRNHPSA-N,"InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-25,35-37,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36+,37-/m0/s1",CC1=C[C@H](O)CC(C)(C)[C@H]1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C,C40H56O2,pos_1_1sodium1acetonitrile,568.4280310319999,KBPHJBAIARWVSC,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-ε)",Ranunculus acris,387818.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus acris'],6,2,7.0 37942,1414,7,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.0,MS1_match,KBPHJBAIARWVSC-IRHPOQNPSA-N,"InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-25,35-37,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36-,37+/m1/s1",CC1=C[C@@H](O)CC(C)(C)[C@H]1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C,C40H56O2,pos_1_1sodium1acetonitrile,568.4280310319999,KBPHJBAIARWVSC,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-ε)",Caltha palustris,387810.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Caltheae'],['Caltha'],['Caltha palustris'],6,2,7.0 37943,1414,7,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.0,MS1_match,KBPHJBAIARWVSC-UHFFFAOYSA-N,"InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-25,35-37,41-42H,26-28H2,1-10H3",CC(C=CC=C(C)C=CC1=C(C)CC(O)CC1(C)C)=CC=CC=C(C)C=CC=C(C)C=CC1C(C)=CC(O)CC1(C)C,C40H56O2,pos_1_1sodium1acetonitrile,568.4280310319999,KBPHJBAIARWVSC,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-ε)",Aconitum burnatii,3944952.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum burnatii'],6,2,7.0 37937,1412,199,Terpenoids,Diterpenoids,Guaiane sesquiterpenoids,0.22448383,ISDB,BCJWMXDKQZDJOV-HDXZBMLESA-N,"InChI=1S/C33H54O13/c1-6-30(2)9-10-32(4)16(11-30)7-8-20-31(3,27(42)17(35)12-33(20,32)5)15-44-29-26(41)24(39)22(37)19(46-29)14-43-28-25(40)23(38)21(36)18(13-34)45-28/h6-7,17-29,34-42H,1,8-15H2,2-5H3/t17-,18-,19-,20+,21-,22-,23+,24-,25-,26+,27+,28+,29-,30+,31-,32+,33+/m1/s1",C=C[C@@]1(C)CC[C@@]2(C)C(=CC[C@H]3[C@@](C)(CO[C@@H]4O[C@H](CO[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@@H](O)[C@@H]4O)[C@@H](O)[C@H](O)C[C@@]32C)C1,C33H54O13,,658.356441788,BCJWMXDKQZDJOV,Terpenoids,Triterpenoids,,Sagenomella striatispora,709980.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Sagenomella'],['Sagenomella striatispora'],1,1,2.3979353308677673 37936,1401,58,Polyketides,Glycerolipids,Glycosyldiacylglycerols,0.58026403,ISDB,SAHCQBPGXQFTRA-UHFFFAOYSA-N,"InChI=1S/C27H49O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(29)37-18-20(28)19-38-40(35,36)39-27-25(33)23(31)22(30)24(32)26(27)34/h6-7,9-10,20,22-28,30-34H,2-5,8,11-19H2,1H3,(H,35,36)",CCCCCC=CCC=CCCCCCCCC(=O)OCC(O)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O,C27H49O12P,,596.2961636379998,SAHCQBPGXQFTRA,Fatty acids,Glycerophospholipids,Glycerophosphoinositols,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],4,0,6.321056127548218 37911,1399,-1,,,,0.40801108,ISDB,FYBCOTZHIIDSOQ-FEBCWGDDSA-N,"InChI=1S/C20H32O/c1-6-19(4)12-9-15-14(13-19)7-8-16-18(2,3)11-10-17(21)20(15,16)5/h6,13,15-17,21H,1,7-12H2,2-5H3/t15?,16-,17-,19-,20+/m0/s1",C=C[C@]1(C)C=C2CC[C@H]3C(C)(C)CC[C@H](O)[C@]3(C)C2CC1,C20H32O,,288.245315644,FYBCOTZHIIDSOQ,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,Kaempferia,3462.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Kaempferia'],['Unknown'],4,0,5.632044315338135 37912,1399,-1,,,,0.40801108,ISDB,FYBCOTZHIIDSOQ-VDWQKOAOSA-N,"InChI=1S/C20H32O/c1-6-19(4)12-9-15-14(13-19)7-8-16-18(2,3)11-10-17(21)20(15,16)5/h6,13,15-17,21H,1,7-12H2,2-5H3/t15-,16-,17-,19-,20+/m0/s1",C=C[C@]1(C)C=C2CC[C@H]3C(C)(C)CC[C@H](O)[C@]3(C)[C@H]2CC1,C20H32O,,288.245315644,FYBCOTZHIIDSOQ,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,Kaempferia marginata,440800.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Kaempferia'],['Kaempferia marginata'],4,0,5.632044315338135 37913,1399,-1,,,,0.40801108,ISDB,FYBCOTZHIIDSOQ-VDWQKOAOSA-N,"InChI=1S/C20H32O/c1-6-19(4)12-9-15-14(13-19)7-8-16-18(2,3)11-10-17(21)20(15,16)5/h6,13,15-17,21H,1,7-12H2,2-5H3/t15-,16-,17-,19-,20+/m0/s1",C=C[C@]1(C)C=C2CC[C@H]3C(C)(C)CC[C@H](O)[C@]3(C)[C@H]2CC1,C20H32O,,288.245315644,FYBCOTZHIIDSOQ,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,Eria marginata,3979551.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Podochileae'],['Eria'],['Eria marginata'],4,0,5.632044315338135 37914,1399,-1,,,,0.40801108,ISDB,FYBCOTZHIIDSOQ-VDWQKOAOSA-N,"InChI=1S/C20H32O/c1-6-19(4)12-9-15-14(13-19)7-8-16-18(2,3)11-10-17(21)20(15,16)5/h6,13,15-17,21H,1,7-12H2,2-5H3/t15-,16-,17-,19-,20+/m0/s1",C=C[C@]1(C)C=C2CC[C@H]3C(C)(C)CC[C@H](O)[C@]3(C)[C@H]2CC1,C20H32O,,288.245315644,FYBCOTZHIIDSOQ,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,Kaempferia galanga,576124.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Kaempferia'],['Kaempferia galanga'],4,0,5.632044315338135 37915,1399,-1,,,,0.40801108,ISDB,FYBCOTZHIIDSOQ-VDWQKOAOSA-N,"InChI=1S/C20H32O/c1-6-19(4)12-9-15-14(13-19)7-8-16-18(2,3)11-10-17(21)20(15,16)5/h6,13,15-17,21H,1,7-12H2,2-5H3/t15-,16-,17-,19-,20+/m0/s1",C=C[C@]1(C)C=C2CC[C@H]3C(C)(C)CC[C@H](O)[C@]3(C)[C@H]2CC1,C20H32O,,288.245315644,FYBCOTZHIIDSOQ,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,Cylindrolobus marginatus,3979551.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Podochileae'],['Eria'],['Eria marginata'],4,0,5.632044315338135 37895,1398,158,Polyketides,Cyclic polyketides,Cinnamic acids and derivatives,0.3570563,ISDB,VJZWZDQDXPADSE-NSHDSACASA-N,"InChI=1S/C11H18O3/c1-4-5-6-7-11(13)9(3)8(2)10(12)14-11/h13H,4-7H2,1-3H3/t11-/m0/s1",CCCCC[C@]1(O)OC(=O)C(C)=C1C,C11H18O3,,198.125594436,VJZWZDQDXPADSE,Polyketides,,,Rhaphidophora decursiva,474105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Alismatales'],['Araceae'],['Monstereae'],['Rhaphidophora'],['Rhaphidophora decursiva'],4,1,5.928225159645081 37896,1398,158,Polyketides,Cyclic polyketides,Cinnamic acids and derivatives,0.3570563,ISDB,VJZWZDQDXPADSE-NSHDSACASA-N,"InChI=1S/C11H18O3/c1-4-5-6-7-11(13)9(3)8(2)10(12)14-11/h13H,4-7H2,1-3H3/t11-/m0/s1",CCCCC[C@]1(O)OC(=O)C(C)=C1C,C11H18O3,,198.125594436,VJZWZDQDXPADSE,Polyketides,,,Litsea verticillata,1052065.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea verticillata'],4,1,5.928225159645081 37897,1398,158,Polyketides,Cyclic polyketides,Cinnamic acids and derivatives,0.3570563,ISDB,VJZWZDQDXPADSE-NSHDSACASA-N,"InChI=1S/C11H18O3/c1-4-5-6-7-11(13)9(3)8(2)10(12)14-11/h13H,4-7H2,1-3H3/t11-/m0/s1",CCCCC[C@]1(O)OC(=O)C(C)=C1C,C11H18O3,,198.125594436,VJZWZDQDXPADSE,Polyketides,,,Vatica cinerea,6114958.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Dipterocarpaceae'],['Unknown'],['Vatica'],['Vatica cinerea'],4,1,5.928225159645081 37898,1398,158,Polyketides,Cyclic polyketides,Cinnamic acids and derivatives,0.3570563,ISDB,VJZWZDQDXPADSE-UHFFFAOYSA-N,"InChI=1S/C11H18O3/c1-4-5-6-7-11(13)9(3)8(2)10(12)14-11/h13H,4-7H2,1-3H3",CCCCCC1(O)OC(=O)C(C)=C1C,C11H18O3,,198.125594436,VJZWZDQDXPADSE,Polyketides,,,Phleum pratense,578767.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Poeae'],['Phleum'],['Phleum pratense'],4,1,5.928225159645081 37894,1397,432,Polyketides,Glycerolipids,Glycosyldiacylglycerols,0.7424225,ISDB,AKWQTMZJEBHXCZ-JTMDCHCZSA-N,"InChI=1S/C55H76N2O12/c1-26-31-14-15-32-33-13-11-29-17-37-44(45(65-9)49(29,7)52(33,63)23-40(60)51(31,32)25-66-54(26)41(61)21-46(3,4)68-54)57-36-16-28-10-12-30-34(48(28,6)20-38(36)56-37)18-39(59)50(8)35(30)19-43-53(50,64)27(2)55(67-43)42(62)22-47(5,24-58)69-55/h15,19,26-31,33-34,39,41-43,45,58-59,61-64H,10-14,16-18,20-25H2,1-9H3/t26-,27-,28-,29-,30+,31+,33-,34-,39+,41+,42+,43-,45-,47-,48-,49+,50+,51+,52+,53+,54+,55-/m0/s1",CO[C@H]1c2nc3c(nc2C[C@@H]2CC[C@H]4C5=CC[C@@H]6[C@H](C)[C@@]7(OC[C@]56C(=O)C[C@]4(O)[C@]21C)OC(C)(C)C[C@H]7O)C[C@@]1(C)[C@@H](CC[C@H]2C4=C[C@@H]5O[C@]6(O[C@](C)(CO)C[C@H]6O)[C@@H](C)[C@]5(O)[C@@]4(C)[C@H](O)C[C@@H]21)C3,C55H76N2O12,,956.539825872,AKWQTMZJEBHXCZ,,,,Cephalodiscus gilchristi,3659703.0,['Eukaryota'],['Metazoa'],['Hemichordata'],['Pterobranchia'],['Cephalodiscida'],['Cephalodiscidae'],['Unknown'],['Cephalodiscus'],['Cephalodiscus gilchristi'],1,0,3.9696900844573975 37860,1395,43,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,ILEDWLMCKZNDJK-UHFFFAOYSA-N,"InChI=1S/C9H6O4/c10-6-3-5-1-2-9(12)13-8(5)4-7(6)11/h1-4,10-11H",O=c1ccc2cc(O)c(O)cc2o1,C9H6O4,pos_1_1proton1methanol,178.026608672,ILEDWLMCKZNDJK,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Lonicera bournei,5746380.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera bournei'],7,3,8.5 37812,1393,-1,,,,0.35327724,ISDB,TUSWWSUBXAJODB-UHFFFAOYSA-N,"InChI=1S/C27H46O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(28)30-22-20-26(2,3)23-19-25(29)31-27(23,4)21-22/h19,22H,5-18,20-21H2,1-4H3",CCCCCCCCCCCCCCCC(=O)OC1CC(C)(C)C2=CC(=O)OC2(C)C1,C27H46O4,,434.339609952,TUSWWSUBXAJODB,Terpenoids,,,Parasenecio deltophyllus,46994.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Parasenecio'],['Parasenecio deltophyllus'],4,0,5.413108944892883 37770,1392,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.75550836,ISDB,LTUMRKDLVGQMJU-IUBLYSDUSA-N,"InChI=1S/C18H30O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h9,11,13H,6-8,10,12,14H2,1-5H3/b16-11+,17-13+",CC(=O)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C,C18H30O,,262.22966558,LTUMRKDLVGQMJU,Fatty acids,Fatty acyls,Fatty aldehydes,Chamomilla recutita,145582.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Matricaria'],['Matricaria chamomilla'],4,1,7.522033452987671 37771,1392,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.75550836,ISDB,LTUMRKDLVGQMJU-IUBLYSDUSA-N,"InChI=1S/C18H30O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h9,11,13H,6-8,10,12,14H2,1-5H3/b16-11+,17-13+",CC(=O)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C,C18H30O,,262.22966558,LTUMRKDLVGQMJU,Fatty acids,Fatty acyls,Fatty aldehydes,Croton hutchinsonianus,870958.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Crotoneae'],['Croton'],['Croton hutchinsonianus'],4,1,7.522033452987671 37772,1392,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.75550836,ISDB,LTUMRKDLVGQMJU-UHFFFAOYSA-N,"InChI=1S/C18H30O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h9,11,13H,6-8,10,12,14H2,1-5H3",CC(=O)CCC=C(C)CCC=C(C)CCC=C(C)C,C18H30O,,262.22966558,LTUMRKDLVGQMJU,Fatty acids,Fatty acyls,Fatty aldehydes,Cecropia pachystachya,3907842.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Urticaceae'],['Unknown'],['Cecropia'],['Cecropia pachystachya'],4,1,7.522033452987671 37773,1392,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.75550836,ISDB,LTUMRKDLVGQMJU-UHFFFAOYSA-N,"InChI=1S/C18H30O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h9,11,13H,6-8,10,12,14H2,1-5H3",CC(=O)CCC=C(C)CCC=C(C)CCC=C(C)C,C18H30O,,262.22966558,LTUMRKDLVGQMJU,Fatty acids,Fatty acyls,Fatty aldehydes,Agrimonia pilosa,383278.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Agrimonia'],['Agrimonia pilosa'],4,1,7.522033452987671 37774,1392,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.75550836,ISDB,LTUMRKDLVGQMJU-IUBLYSDUSA-N,"InChI=1S/C18H30O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h9,11,13H,6-8,10,12,14H2,1-5H3/b16-11+,17-13+",CC(=O)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C,C18H30O,,262.22966558,LTUMRKDLVGQMJU,Fatty acids,Fatty acyls,Fatty aldehydes,Daucus carota,372836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Scandiceae'],['Daucus'],['Daucus carota'],4,1,7.522033452987671 37775,1392,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.75550836,ISDB,LTUMRKDLVGQMJU-IUBLYSDUSA-N,"InChI=1S/C18H30O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h9,11,13H,6-8,10,12,14H2,1-5H3/b16-11+,17-13+",CC(=O)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C,C18H30O,,262.22966558,LTUMRKDLVGQMJU,Fatty acids,Fatty acyls,Fatty aldehydes,Bixa orellana,287352.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Bixaceae'],['Unknown'],['Bixa'],['Bixa orellana'],4,1,7.522033452987671 37776,1392,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.75550836,ISDB,LTUMRKDLVGQMJU-UHFFFAOYSA-N,"InChI=1S/C18H30O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h9,11,13H,6-8,10,12,14H2,1-5H3",CC(=O)CCC=C(C)CCC=C(C)CCC=C(C)C,C18H30O,,262.22966558,LTUMRKDLVGQMJU,Fatty acids,Fatty acyls,Fatty aldehydes,Scutellaria barbata,1093028.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Scutellaria'],['Scutellaria barbata'],4,1,7.522033452987671 37777,1392,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.75550836,ISDB,LTUMRKDLVGQMJU-UHFFFAOYSA-N,"InChI=1S/C18H30O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h9,11,13H,6-8,10,12,14H2,1-5H3",CC(=O)CCC=C(C)CCC=C(C)CCC=C(C)C,C18H30O,,262.22966558,LTUMRKDLVGQMJU,Fatty acids,Fatty acyls,Fatty aldehydes,Rhus coriaria,598784.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Anacardiaceae'],['Unknown'],['Rhus'],['Rhus coriaria'],4,1,7.522033452987671 37778,1392,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.75550836,ISDB,LTUMRKDLVGQMJU-IUBLYSDUSA-N,"InChI=1S/C18H30O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h9,11,13H,6-8,10,12,14H2,1-5H3/b16-11+,17-13+",CC(=O)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C,C18H30O,,262.22966558,LTUMRKDLVGQMJU,Fatty acids,Fatty acyls,Fatty aldehydes,Centaurea armena,674587.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea armena'],4,1,7.522033452987671 37779,1392,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.75550836,ISDB,LTUMRKDLVGQMJU-IUBLYSDUSA-N,"InChI=1S/C18H30O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h9,11,13H,6-8,10,12,14H2,1-5H3/b16-11+,17-13+",CC(=O)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C,C18H30O,,262.22966558,LTUMRKDLVGQMJU,Fatty acids,Fatty acyls,Fatty aldehydes,Centaurea sessilis,7613406.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea sessilis'],4,1,7.522033452987671 37780,1392,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.75550836,ISDB,LTUMRKDLVGQMJU-IUBLYSDUSA-N,"InChI=1S/C18H30O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h9,11,13H,6-8,10,12,14H2,1-5H3/b16-11+,17-13+",CC(=O)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C,C18H30O,,262.22966558,LTUMRKDLVGQMJU,Fatty acids,Fatty acyls,Fatty aldehydes,Centaurea oltensis,3894076.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea oltensis'],4,1,7.522033452987671 37781,1392,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.75550836,ISDB,LTUMRKDLVGQMJU-IUBLYSDUSA-N,"InChI=1S/C18H30O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h9,11,13H,6-8,10,12,14H2,1-5H3/b16-11+,17-13+",CC(=O)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C,C18H30O,,262.22966558,LTUMRKDLVGQMJU,Fatty acids,Fatty acyls,Fatty aldehydes,Artemisia annua,637444.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia annua'],4,1,7.522033452987671 37782,1392,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.75550836,ISDB,LTUMRKDLVGQMJU-IUBLYSDUSA-N,"InChI=1S/C18H30O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h9,11,13H,6-8,10,12,14H2,1-5H3/b16-11+,17-13+",CC(=O)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C,C18H30O,,262.22966558,LTUMRKDLVGQMJU,Fatty acids,Fatty acyls,Fatty aldehydes,Tordylium apulum,630025.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Tordylieae'],['Tordylium'],['Tordylium apulum'],4,1,7.522033452987671 37783,1392,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.75550836,ISDB,LTUMRKDLVGQMJU-IUBLYSDUSA-N,"InChI=1S/C18H30O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h9,11,13H,6-8,10,12,14H2,1-5H3/b16-11+,17-13+",CC(=O)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C,C18H30O,,262.22966558,LTUMRKDLVGQMJU,Fatty acids,Fatty acyls,Fatty aldehydes,Daphne odora,5747002.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Thymelaeaceae'],['Unknown'],['Daphne'],['Daphne odora'],4,1,7.522033452987671 37784,1392,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.75550836,ISDB,LTUMRKDLVGQMJU-IUBLYSDUSA-N,"InChI=1S/C18H30O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h9,11,13H,6-8,10,12,14H2,1-5H3/b16-11+,17-13+",CC(=O)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C,C18H30O,,262.22966558,LTUMRKDLVGQMJU,Fatty acids,Fatty acyls,Fatty aldehydes,Citrullus lanatus,1006251.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cucurbitales'],['Cucurbitaceae'],['Benincaseae'],['Citrullus'],['Citrullus lanatus'],4,1,7.522033452987671 37785,1392,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.75550836,ISDB,LTUMRKDLVGQMJU-IUBLYSDUSA-N,"InChI=1S/C18H30O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h9,11,13H,6-8,10,12,14H2,1-5H3/b16-11+,17-13+",CC(=O)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C,C18H30O,,262.22966558,LTUMRKDLVGQMJU,Fatty acids,Fatty acyls,Fatty aldehydes,Matricaria chamomilla,145582.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Matricaria'],['Matricaria chamomilla'],4,1,7.522033452987671 37786,1392,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.75550836,ISDB,LTUMRKDLVGQMJU-IUBLYSDUSA-N,"InChI=1S/C18H30O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h9,11,13H,6-8,10,12,14H2,1-5H3/b16-11+,17-13+",CC(=O)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C,C18H30O,,262.22966558,LTUMRKDLVGQMJU,Fatty acids,Fatty acyls,Fatty aldehydes,Tilia platyphyllos,1067735.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Tilia'],['Tilia platyphyllos'],4,1,7.522033452987671 37787,1392,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.75550836,ISDB,LTUMRKDLVGQMJU-IUBLYSDUSA-N,"InChI=1S/C18H30O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h9,11,13H,6-8,10,12,14H2,1-5H3/b16-11+,17-13+",CC(=O)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C,C18H30O,,262.22966558,LTUMRKDLVGQMJU,Fatty acids,Fatty acyls,Fatty aldehydes,Tilia tomentosa,495951.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Tilia'],['Tilia tomentosa'],4,1,7.522033452987671 37788,1392,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.75550836,ISDB,LTUMRKDLVGQMJU-IUBLYSDUSA-N,"InChI=1S/C18H30O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h9,11,13H,6-8,10,12,14H2,1-5H3/b16-11+,17-13+",CC(=O)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C,C18H30O,,262.22966558,LTUMRKDLVGQMJU,Fatty acids,Fatty acyls,Fatty aldehydes,Tilia mandshurica,790022.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Tilia'],['Tilia mandshurica'],4,1,7.522033452987671 37789,1392,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.75550836,ISDB,LTUMRKDLVGQMJU-IUBLYSDUSA-N,"InChI=1S/C18H30O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h9,11,13H,6-8,10,12,14H2,1-5H3/b16-11+,17-13+",CC(=O)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C,C18H30O,,262.22966558,LTUMRKDLVGQMJU,Fatty acids,Fatty acyls,Fatty aldehydes,Mangifera indica,807634.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Anacardiaceae'],['Unknown'],['Mangifera'],['Mangifera indica'],4,1,7.522033452987671 37790,1392,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.75550836,ISDB,LTUMRKDLVGQMJU-IUBLYSDUSA-N,"InChI=1S/C18H30O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h9,11,13H,6-8,10,12,14H2,1-5H3/b16-11+,17-13+",CC(=O)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C,C18H30O,,262.22966558,LTUMRKDLVGQMJU,Fatty acids,Fatty acyls,Fatty aldehydes,Cannabis sativa,84004.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Cannabaceae'],['Unknown'],['Cannabis'],['Cannabis sativa'],4,1,7.522033452987671 37791,1392,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.75550836,ISDB,LTUMRKDLVGQMJU-IUBLYSDUSA-N,"InChI=1S/C18H30O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h9,11,13H,6-8,10,12,14H2,1-5H3/b16-11+,17-13+",CC(=O)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C,C18H30O,,262.22966558,LTUMRKDLVGQMJU,Fatty acids,Fatty acyls,Fatty aldehydes,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],4,1,7.522033452987671 37792,1392,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.75550836,ISDB,LTUMRKDLVGQMJU-IUBLYSDUSA-N,"InChI=1S/C18H30O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h9,11,13H,6-8,10,12,14H2,1-5H3/b16-11+,17-13+",CC(=O)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C,C18H30O,,262.22966558,LTUMRKDLVGQMJU,Fatty acids,Fatty acyls,Fatty aldehydes,Morina persica,326553.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Morina'],['Morina persica'],4,1,7.522033452987671 37768,1390,-1,,,,0.0,MS1_match,UASMTJSLCCDICT-UHFFFAOYSA-N,"InChI=1S/C13H18O2/c1-9-3-2-4-11(13(14)15)8-12-7-10(12)6-5-9/h3,8,10,12H,2,4-7H2,1H3,(H,14,15)",CC1=CCCC(C(=O)O)=CC2CC2CC1,C13H18O2,pos_1_1proton1methanol,206.130679816,UASMTJSLCCDICT,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,Valeriana dageletiana,7625130.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana dageletiana'],6,0,6.0 37769,1390,-1,,,,0.0,MS1_match,UASMTJSLCCDICT-UHFFFAOYSA-N,"InChI=1S/C13H18O2/c1-9-3-2-4-11(13(14)15)8-12-7-10(12)6-5-9/h3,8,10,12H,2,4-7H2,1H3,(H,14,15)",CC1=CCCC(C(=O)O)=CC2CC2CC1,C13H18O2,pos_1_1proton1methanol,206.130679816,UASMTJSLCCDICT,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 37758,1389,194,Carbohydrates,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Dipsacus asper,365911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Dipsacus'],['Dipsacus asper'],6,3,7.5 37759,1389,194,Carbohydrates,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Dipsacus inermis,776357.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Dipsacus'],['Dipsacus inermis'],6,3,7.5 37760,1389,194,Carbohydrates,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Cephalaria procera,6061197.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Cephalaria'],['Cephalaria procera'],6,3,7.5 37761,1389,194,Carbohydrates,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Cephalaria kotschyi,6061197.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Cephalaria'],['Cephalaria procera'],6,3,7.5 37762,1389,194,Carbohydrates,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Cephalaria nachiczevanica,6061192.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Cephalaria'],['Cephalaria nachiczevanica'],6,3,7.5 37763,1389,194,Carbohydrates,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Dipsacus asper,365911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Dipsacus'],['Dipsacus asper'],6,3,7.5 37764,1389,194,Carbohydrates,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Dipsacus inermis,776357.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Dipsacus'],['Dipsacus inermis'],6,3,7.5 37765,1389,194,Carbohydrates,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Cephalaria procera,6061197.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Cephalaria'],['Cephalaria procera'],6,3,7.5 37766,1389,194,Carbohydrates,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Cephalaria kotschyi,6061197.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Cephalaria'],['Cephalaria procera'],6,3,7.5 37767,1389,194,Carbohydrates,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Cephalaria nachiczevanica,6061192.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Cephalaria'],['Cephalaria nachiczevanica'],6,3,7.5 37751,1387,856,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.888796,ISDB,MBMFVVJRZMJLSK-AESNYCIYSA-N,"InChI=1S/C30H26O13/c31-16-5-3-15(4-6-16)22-12-21(35)26-20(34)10-17(11-23(26)42-22)41-30-29(39)28(38)27(37)24(43-30)13-40-25(36)8-2-14-1-7-18(32)19(33)9-14/h1-12,24,27-34,37-39H,13H2/b8-2+/t24-,27-,28+,29-,30-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@@H](O)[C@@H]1O,C30H26O13,,594.137340892,MBMFVVJRZMJLSK,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Perilla frutescens var. crispa,443474.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Elsholtzieae'],['Perilla'],['Perilla frutescens'],4,3,9.05518388748169 37752,1387,856,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.888796,ISDB,MBMFVVJRZMJLSK-AESNYCIYSA-N,"InChI=1S/C30H26O13/c31-16-5-3-15(4-6-16)22-12-21(35)26-20(34)10-17(11-23(26)42-22)41-30-29(39)28(38)27(37)24(43-30)13-40-25(36)8-2-14-1-7-18(32)19(33)9-14/h1-12,24,27-34,37-39H,13H2/b8-2+/t24-,27-,28+,29-,30-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@@H](O)[C@@H]1O,C30H26O13,,594.137340892,MBMFVVJRZMJLSK,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Perilla frutescens,295678.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Elsholtzieae'],['Perilla'],['Perilla frutescens'],4,3,9.05518388748169 37748,1385,-1,,,,0.24526131,ISDB,NDFUYJPVVCJYNZ-HTDBADMHSA-N,"InChI=1S/C21H30O10/c1-11(6-15(24)25)4-5-21(29)12(2)7-13(23)8-20(21,3)10-30-19-18(28)17(27)16(26)14(9-22)31-19/h4-7,14,16-19,22,26-29H,8-10H2,1-3H3,(H,24,25)/b5-4+,11-6-/t14-,16-,17-,18-,19+,20+,21+/m0/s1",CC1=CC(=O)C[C@](C)(CO[C@@H]2O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]2O)[C@@]1(O)/C=C/C(C)=C\C(=O)O,C21H30O10,,442.18389716,NDFUYJPVVCJYNZ,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Persea americana,913249.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Persea'],['Persea americana'],4,0,4.981045246124268 37747,1383,7,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.43773374,ISDB,OZOLQBVPEIWKPL-ARJAWSKDSA-N,"InChI=1S/C22H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h1,3-4,23H,5-8,11-14,17-19,22H2/b4-3-",C#C/C=C\CCCCC#CCCCCC#CCCCC#CCO,C22H28O,,308.214015516,OZOLQBVPEIWKPL,Fatty acids,Fatty acyls,Fatty alcohols,Callyspongia,1031750.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Haplosclerida'],['Callyspongiidae'],['Unknown'],['Callyspongia'],['Unknown'],0,0,1.7509349584579468 37746,1382,621,Alkaloids,Peptide alkaloids,Simple amide alkaloids,0.2023367,ISDB,,,,,,,KBONIIBFQNQORS,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.8093467950820923 37733,1380,-1,,,,0.4592942,ISDB,NHZOCAXASXRFNX-JZJYNLBNSA-N,"InChI=1S/C37H64O4/c1-3-4-5-6-7-8-9-10-14-17-20-23-26-33-35(40-33)28-29-36-34(41-36)27-24-21-18-15-12-11-13-16-19-22-25-32-30-31(2)39-37(32)38/h17,20,30-31,33-36H,3-16,18-19,21-29H2,1-2H3/b20-17-",CCCCCCCCCC/C=C\CCC1OC1CCC1OC1CCCCCCCCCCCCC1=CC(C)OC1=O,C37H64O4,,572.480460528,NHZOCAXASXRFNX,Polyketides,Linear polyketides,Acetogenins,Annona reticulata,94924.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Annoneae'],['Annona'],['Annona reticulata'],4,0,5.83717679977417 37734,1380,-1,,,,0.4592942,ISDB,NHZOCAXASXRFNX-BPVFOGKOSA-N,"InChI=1S/C37H64O4/c1-3-4-5-6-7-8-9-10-14-17-20-23-26-33-35(40-33)28-29-36-34(41-36)27-24-21-18-15-12-11-13-16-19-22-25-32-30-31(2)39-37(32)38/h17,20,30-31,33-36H,3-16,18-19,21-29H2,1-2H3/b20-17-/t31-,33+,34-,35-,36+/m1/s1",CCCCCCCCCC/C=C\CC[C@@H]1O[C@@H]1CC[C@@H]1O[C@@H]1CCCCCCCCCCCCC1=C[C@@H](C)OC1=O,C37H64O4,,572.480460528,NHZOCAXASXRFNX,Polyketides,Linear polyketides,Acetogenins,Uvaria chamae,340656.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Uvarieae'],['Uvaria'],['Uvaria chamae'],4,0,5.83717679977417 37735,1380,-1,,,,0.4592942,ISDB,NHZOCAXASXRFNX-JZJYNLBNSA-N,"InChI=1S/C37H64O4/c1-3-4-5-6-7-8-9-10-14-17-20-23-26-33-35(40-33)28-29-36-34(41-36)27-24-21-18-15-12-11-13-16-19-22-25-32-30-31(2)39-37(32)38/h17,20,30-31,33-36H,3-16,18-19,21-29H2,1-2H3/b20-17-",CCCCCCCCCC/C=C\CCC1OC1CCC1OC1CCCCCCCCCCCCC1=CC(C)OC1=O,C37H64O4,,572.480460528,NHZOCAXASXRFNX,Polyketides,Linear polyketides,Acetogenins,Ophrypetalum odoratum,181025.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Monodoreae'],['Ophrypetalum'],['Ophrypetalum odoratum'],4,0,5.83717679977417 37736,1380,-1,,,,0.4592942,ISDB,NHZOCAXASXRFNX-OCNDSIHXSA-N,"InChI=1S/C37H64O4/c1-3-4-5-6-7-8-9-10-14-17-20-23-26-33-35(40-33)28-29-36-34(41-36)27-24-21-18-15-12-11-13-16-19-22-25-32-30-31(2)39-37(32)38/h17,20,30-31,33-36H,3-16,18-19,21-29H2,1-2H3/b20-17+/t31-,33+,34-,35-,36-/m1/s1",CCCCCCCCCC/C=C/CC[C@@H]1O[C@@H]1CC[C@H]1O[C@@H]1CCCCCCCCCCCCC1=C[C@@H](C)OC1=O,C37H64O4,,572.480460528,NHZOCAXASXRFNX,Polyketides,Linear polyketides,Acetogenins,Annona squamosa,915056.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Annoneae'],['Annona'],['Annona squamosa'],4,0,5.83717679977417 37667,1379,582,Terpenoids,Diterpenoids,Estrane steroids,0.680454,ISDB,NPAGDVCDWIYMMC-IZPLOLCNSA-N,"InChI=1S/C18H26O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,13-17,20H,2-9H2,1H3/t13-,14+,15+,16-,17-,18-/m0/s1",C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@H]43)[C@@H]1CC[C@@H]2O,C18H26O2,,274.193280072,NPAGDVCDWIYMMC,Terpenoids,Steroids,Estrane steroids,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],4,3,8.221816062927246 37602,1378,-1,,,,0.692486,ISDB,MXDYUQKBEOVZSA-DMLGPZFASA-N,"InChI=1S/C15H22O6S/c1-8-3-4-11(16)15(2)6-5-9-10(7-22(18,19)20)14(17)21-13(9)12(8)15/h3,9-13,16H,4-7H2,1-2H3,(H,18,19,20)/t9-,10-,11+,12+,13-,15-/m0/s1",CC1=CC[C@@H](O)[C@]2(C)CC[C@@H]3[C@H](OC(=O)[C@H]3CS(=O)(=O)O)[C@@H]12,C15H22O6S,,330.113709424,MXDYUQKBEOVZSA,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Aucklandia lappa,772548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea costus'],4,0,6.769943952560425 37603,1378,-1,,,,0.692486,ISDB,MXDYUQKBEOVZSA-DMLGPZFASA-N,"InChI=1S/C15H22O6S/c1-8-3-4-11(16)15(2)6-5-9-10(7-22(18,19)20)14(17)21-13(9)12(8)15/h3,9-13,16H,4-7H2,1-2H3,(H,18,19,20)/t9-,10-,11+,12+,13-,15-/m0/s1",CC1=CC[C@@H](O)[C@]2(C)CC[C@@H]3[C@H](OC(=O)[C@H]3CS(=O)(=O)O)[C@@H]12,C15H22O6S,,330.113709424,MXDYUQKBEOVZSA,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Aucklandia costus,772548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea costus'],4,0,6.769943952560425 37604,1378,-1,,,,0.692486,ISDB,MXDYUQKBEOVZSA-DMLGPZFASA-N,"InChI=1S/C15H22O6S/c1-8-3-4-11(16)15(2)6-5-9-10(7-22(18,19)20)14(17)21-13(9)12(8)15/h3,9-13,16H,4-7H2,1-2H3,(H,18,19,20)/t9-,10-,11+,12+,13-,15-/m0/s1",CC1=CC[C@@H](O)[C@]2(C)CC[C@@H]3[C@H](OC(=O)[C@H]3CS(=O)(=O)O)[C@@H]12,C15H22O6S,,330.113709424,MXDYUQKBEOVZSA,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Saussurea costus,772548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea costus'],4,0,6.769943952560425 37301,1377,135,Terpenoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.5981875,ISDB,WNRFSDIWIBKOKJ-UHFFFAOYSA-N,"InChI=1S/C11H14O2/c1-4-5-9-6-8(2)11(12)10(7-9)13-3/h4-7,12H,1-3H3",CC=Cc1cc(C)c(O)c(OC)c1,C11H14O2,,178.099379688,WNRFSDIWIBKOKJ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Croton grewioides,3913555.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Crotoneae'],['Croton'],['Croton grewioides'],4,3,7.892750024795532 37302,1377,135,Terpenoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.5981875,ISDB,WNRFSDIWIBKOKJ-UHFFFAOYSA-N,"InChI=1S/C11H14O2/c1-4-5-9-6-8(2)11(12)10(7-9)13-3/h4-7,12H,1-3H3",CC=Cc1cc(C)c(O)c(OC)c1,C11H14O2,,178.099379688,WNRFSDIWIBKOKJ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Nicotiana alata,379008.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana alata'],4,3,7.892750024795532 37303,1377,135,Terpenoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.5981875,ISDB,WNRFSDIWIBKOKJ-UHFFFAOYSA-N,"InChI=1S/C11H14O2/c1-4-5-9-6-8(2)11(12)10(7-9)13-3/h4-7,12H,1-3H3",CC=Cc1cc(C)c(O)c(OC)c1,C11H14O2,,178.099379688,WNRFSDIWIBKOKJ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Nicotiana bonariensis,1031854.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana bonariensis'],4,3,7.892750024795532 37304,1377,135,Terpenoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.5981875,ISDB,WNRFSDIWIBKOKJ-UHFFFAOYSA-N,"InChI=1S/C11H14O2/c1-4-5-9-6-8(2)11(12)10(7-9)13-3/h4-7,12H,1-3H3",CC=Cc1cc(C)c(O)c(OC)c1,C11H14O2,,178.099379688,WNRFSDIWIBKOKJ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Nicotiana rosulata,755391.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana rosulata'],4,3,7.892750024795532 37305,1377,135,Terpenoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.5981875,ISDB,WNRFSDIWIBKOKJ-UHFFFAOYSA-N,"InChI=1S/C11H14O2/c1-4-5-9-6-8(2)11(12)10(7-9)13-3/h4-7,12H,1-3H3",CC=Cc1cc(C)c(O)c(OC)c1,C11H14O2,,178.099379688,WNRFSDIWIBKOKJ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Tagetes lucida,470809.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Tageteae'],['Tagetes'],['Tagetes lucida'],4,3,7.892750024795532 37306,1377,135,Terpenoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.5981875,ISDB,WNRFSDIWIBKOKJ-UHFFFAOYSA-N,"InChI=1S/C11H14O2/c1-4-5-9-6-8(2)11(12)10(7-9)13-3/h4-7,12H,1-3H3",CC=Cc1cc(C)c(O)c(OC)c1,C11H14O2,,178.099379688,WNRFSDIWIBKOKJ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Croton zehntneri,3913562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Crotoneae'],['Croton'],['Croton zehntneri'],4,3,7.892750024795532 37307,1377,135,Terpenoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.5981875,ISDB,WNRFSDIWIBKOKJ-UHFFFAOYSA-N,"InChI=1S/C11H14O2/c1-4-5-9-6-8(2)11(12)10(7-9)13-3/h4-7,12H,1-3H3",CC=Cc1cc(C)c(O)c(OC)c1,C11H14O2,,178.099379688,WNRFSDIWIBKOKJ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Illicium difengpi,318181.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Austrobaileyales'],['Schisandraceae'],['Unknown'],['Illicium'],['Illicium difengpi'],4,3,7.892750024795532 37308,1377,135,Terpenoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.5981875,ISDB,WNRFSDIWIBKOKJ-SNAWJCMRSA-N,"InChI=1S/C11H14O2/c1-4-5-9-6-8(2)11(12)10(7-9)13-3/h4-7,12H,1-3H3/b5-4+",C/C=C/c1cc(C)c(O)c(OC)c1,C11H14O2,,178.099379688,WNRFSDIWIBKOKJ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Daucus carota,372836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Scandiceae'],['Daucus'],['Daucus carota'],4,3,7.892750024795532 37309,1377,135,Terpenoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.5981875,ISDB,WNRFSDIWIBKOKJ-SNAWJCMRSA-N,"InChI=1S/C11H14O2/c1-4-5-9-6-8(2)11(12)10(7-9)13-3/h4-7,12H,1-3H3/b5-4+",C/C=C/c1cc(C)c(O)c(OC)c1,C11H14O2,,178.099379688,WNRFSDIWIBKOKJ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Acorus calamus,1008193.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Acorales'],['Acoraceae'],['Unknown'],['Acorus'],['Acorus calamus'],4,3,7.892750024795532 37230,1376,-1,,,,0.0,MS1_match,ZZFJSWIPFJPKST-UHFFFAOYSA-N,"InChI=1S/C35H40O12/c1-20(36)42-19-34-27(46-31(40)24-15-11-8-12-16-24)17-25-28(43-21(2)37)35(34,47-32(25,4)5)33(6,41)18-26(29(34)44-22(3)38)45-30(39)23-13-9-7-10-14-23/h7-16,25-29,41H,17-19H2,1-6H3",CC(=O)OCC12C(OC(=O)c3ccccc3)CC3C(OC(C)=O)C1(OC3(C)C)C(C)(O)CC(OC(=O)c1ccccc1)C2OC(C)=O,C35H40O12,pos_1_1proton,652.25197672,ZZFJSWIPFJPKST,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Euonymus sachalinensis,598270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus sachalinensis'],7,0,7.0 37231,1376,-1,,,,0.0,MS1_match,OCOXCQAMJXUUGB-OCRATEHUSA-N,"InChI=1S/C35H40O12/c1-20(36)42-19-34-27(43-21(2)37)17-25-28(44-22(3)38)35(34,47-32(25,4)5)33(6,41)18-26(45-30(39)23-13-9-7-10-14-23)29(34)46-31(40)24-15-11-8-12-16-24/h7-16,25-29,41H,17-19H2,1-6H3/t25-,26+,27+,28-,29+,33+,34-,35+/m1/s1",CC(=O)OC[C@]12[C@@H](OC(C)=O)C[C@@H]3[C@@H](OC(C)=O)[C@]1(OC3(C)C)[C@@](C)(O)C[C@H](OC(=O)c1ccccc1)[C@@H]2OC(=O)c1ccccc1,C35H40O12,pos_1_1proton,652.25197672,OCOXCQAMJXUUGB,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Euonymus nanoides,5513354.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus nanoides'],7,0,7.0 37095,1375,-1,,,,0.0,MS1_match,LLINHWDEBZOLGN-UNQYGWCUSA-N,"InChI=1S/C28H36O4/c1-16-17-7-8-20-25(3,18(17)13-19(29)23(16)31)10-12-27(5)21-14-28(6,32)22(30)15-24(21,2)9-11-26(20,27)4/h7-8,13,21,31-32H,9-12,14-15H2,1-6H3/t21-,24+,25+,26-,27+,28+/m1/s1",CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(O)C(=O)C[C@]3(C)CC[C@]12C,C28H36O4,pos_2_2proton,436.261359632,LLINHWDEBZOLGN,Terpenoids,Triterpenoids,,Euonymus tingens,169628.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus tingens'],7,0,7.0 37093,1373,893,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,0.0,MS1_match,MVFKBJFNYCGPEX-NZPJCCRVSA-N,"InChI=1S/C50H84O21/c1-22(8-11-30(66-23(2)54)45(3,4)71-44-41(64)38(61)35(58)27(69-44)19-65-42-39(62)36(59)33(56)25(17-51)67-42)32-24(55)16-48(7)29-10-9-28-46(5,21-53)31(70-43-40(63)37(60)34(57)26(18-52)68-43)12-13-49(28)20-50(29,49)15-14-47(32,48)6/h22,24-44,51-53,55-64H,8-21H2,1-7H3/t22-,24+,25-,26-,27-,28+,29+,30+,31+,32+,33-,34-,35-,36+,37+,38+,39-,40-,41-,42-,43+,44+,46-,47-,48+,49-,50-/m1/s1",CC(=O)O[C@@H](CC[C@@H](C)[C@H]1[C@@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@@](C)(CO)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@@]45C[C@]35CC[C@]12C)C(C)(C)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C50H84O21,pos_2_1proton1potassium,1020.550509708,MVFKBJFNYCGPEX,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Thalictrum fortunei,5728049.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum fortunei'],6,3,7.5 37017,1372,94,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.80211085,ISDB,KBGYPXOSNDMZRV-UHFFFAOYSA-N,"InChI=1S/C16H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h3-4,6-7,9-10H,2,5,8,11-15H2,1H3,(H,17,18)",CCC=CCC=CCC=CCCCCCC(=O)O,C16H26O2,,250.193280072,KBGYPXOSNDMZRV,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Apium graveolens,2472.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Apieae'],['Apium'],['Apium graveolens'],4,3,8.708443403244019 37018,1372,94,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.80211085,ISDB,KBGYPXOSNDMZRV-IUQGRGSQSA-N,"InChI=1S/C16H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h3-4,6-7,9-10H,2,5,8,11-15H2,1H3,(H,17,18)/b4-3+,7-6+,10-9+",CC/C=C/C/C=C/C/C=C/CCCCCC(=O)O,C16H26O2,,250.193280072,KBGYPXOSNDMZRV,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Brassica napus,309234.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica napus'],4,3,8.708443403244019 36834,1371,58,Polyketides,Glycerolipids,Glycosyldiacylglycerols,0.74396116,ISDB,KQBASRSRJMDOBH-GOSISDBHSA-N,"InChI=1S/C21H34O3/c1-3-4-5-6-7-8-9-10-11-12-18-13-17-14-19(23-2)15-21(22)20(17)16-24-18/h14-15,18,22H,3-13,16H2,1-2H3/t18-/m1/s1",CCCCCCCCCCC[C@@H]1Cc2cc(OC)cc(O)c2CO1,C21H34O3,,334.250794948,KQBASRSRJMDOBH,Polyketides,Chromanes,Azaphilones,Ononis natrix,1072855.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Ononis'],['Ononis natrix'],4,1,7.475844621658325 36833,1368,110,Polyketides,Aromatic polyketides,Naphthoquinones,0.31024876,ISDB,,,,,,,ZFCSBZMFLQFYRE,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.2409950494766235 36818,1366,-1,,,,0.0,MS1_match,RTATXGUCZHCSNG-QHWHWDPRSA-N,"InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O15,pos_2_1proton1potassium,594.15847026,RTATXGUCZHCSNG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Parnassia fimbriata,1035577.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Parnassia'],['Parnassia fimbriata'],6,0,6.0 36819,1366,-1,,,,0.0,MS1_match,RTATXGUCZHCSNG-QHWHWDPRSA-N,"InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O15,pos_2_1proton1potassium,594.15847026,RTATXGUCZHCSNG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Lepuropetalon spathulatum,78653.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Lepuropetalon'],['Lepuropetalon spathulatum'],6,0,6.0 36820,1366,-1,,,,0.0,MS1_match,RTATXGUCZHCSNG-QHWHWDPRSA-N,"InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O15,pos_2_1proton1potassium,594.15847026,RTATXGUCZHCSNG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Parnassia asarifolia,363490.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Parnassia'],['Parnassia asarifolia'],6,0,6.0 36821,1366,-1,,,,0.0,MS1_match,RTATXGUCZHCSNG-QHWHWDPRSA-N,"InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O15,pos_2_1proton1potassium,594.15847026,RTATXGUCZHCSNG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Parnassia caroliniana,7054807.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Parnassia'],['Parnassia caroliniana'],6,0,6.0 36822,1366,-1,,,,0.0,MS1_match,RTATXGUCZHCSNG-QHWHWDPRSA-N,"InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O15,pos_2_1proton1potassium,594.15847026,RTATXGUCZHCSNG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Parnassia kotzebuei,913623.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Parnassia'],['Parnassia kotzebuei'],6,0,6.0 36823,1366,-1,,,,0.0,MS1_match,RTATXGUCZHCSNG-QHWHWDPRSA-N,"InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O15,pos_2_1proton1potassium,594.15847026,RTATXGUCZHCSNG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Parnassia glauca,1079067.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Parnassia'],['Parnassia glauca'],6,0,6.0 36824,1366,-1,,,,0.0,MS1_match,RTATXGUCZHCSNG-QHWHWDPRSA-N,"InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O15,pos_2_1proton1potassium,594.15847026,RTATXGUCZHCSNG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Parnassia grandifolia,24239.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Parnassia'],['Parnassia grandifolia'],6,0,6.0 36825,1366,-1,,,,0.0,MS1_match,RTATXGUCZHCSNG-QHWHWDPRSA-N,"InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O15,pos_2_1proton1potassium,594.15847026,RTATXGUCZHCSNG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Parnassia palustris,1039565.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Parnassia'],['Parnassia palustris'],6,0,6.0 36826,1366,-1,,,,0.0,MS1_match,RTATXGUCZHCSNG-UHFFFAOYSA-N,"InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3",CC1OC(OCC2OC(Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)C(O)C(O)C2O)C(O)C(O)C1O,C27H30O15,pos_2_1proton1potassium,594.15847026,RTATXGUCZHCSNG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Monteverdia truncata,7054806.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Monteverdia'],['Monteverdia truncata'],6,0,6.0 36827,1366,-1,,,,0.0,MS1_match,RTATXGUCZHCSNG-KYGWAIEOSA-N,"InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3/t9-,15+,17-,18-,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O15,pos_2_1proton1potassium,594.15847026,RTATXGUCZHCSNG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Monteverdia ilicifolia,433235.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Monteverdia'],['Monteverdia ilicifolia'],6,0,6.0 36828,1366,-1,,,,0.0,MS1_match,RTATXGUCZHCSNG-QHWHWDPRSA-N,"InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O15,pos_2_1proton1potassium,594.15847026,RTATXGUCZHCSNG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Celastrus hindsii,709258.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Celastrus'],['Celastrus hindsii'],6,0,6.0 36829,1366,-1,,,,0.0,MS1_match,GXLQUHPXGLZNGE-UHFFFAOYSA-N,"InChI=1S/C27H30O15/c1-8-17(31)20(34)22(36)26(38-8)40-11-6-14(30)16-15(7-11)41-24(10-3-4-12(28)13(29)5-10)25(19(16)33)42-27-23(37)21(35)18(32)9(2)39-27/h3-9,17-18,20-23,26-32,34-37H,1-2H3",CC1OC(Oc2cc(O)c3c(=O)c(OC4OC(C)C(O)C(O)C4O)c(-c4ccc(O)c(O)c4)oc3c2)C(O)C(O)C1O,C27H30O15,pos_2_1proton1potassium,594.15847026,GXLQUHPXGLZNGE,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Celastrus orbiculatus,56757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Celastrus'],['Celastrus orbiculatus'],6,0,6.0 36830,1366,-1,,,,0.0,MS1_match,GXLQUHPXGLZNGE-BJBZVNFPSA-N,"InChI=1S/C27H30O15/c1-8-17(31)20(34)22(36)26(38-8)40-11-6-14(30)16-15(7-11)41-24(10-3-4-12(28)13(29)5-10)25(19(16)33)42-27-23(37)21(35)18(32)9(2)39-27/h3-9,17-18,20-23,26-32,34-37H,1-2H3/t8-,9-,17-,18-,20+,21+,22+,23+,26-,27-/m0/s1",C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)c(-c4ccc(O)c(O)c4)oc3c2)[C@H](O)[C@H](O)[C@H]1O,C27H30O15,pos_2_1proton1potassium,594.15847026,GXLQUHPXGLZNGE,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Elaeodendron xylocarpum,806635.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Elaeodendron'],['Elaeodendron xylocarpum'],6,0,6.0 36831,1366,-1,,,,0.0,MS1_match,OHOBPOYHROOXEI-SRIOWEGGSA-N,"InChI=1S/C27H30O15/c1-9-17(32)20(35)22(37)26(38-9)42-25-21(36)18(33)15(8-28)40-27(25)41-24-19(34)16-13(31)6-12(30)7-14(16)39-23(24)10-2-4-11(29)5-3-10/h2-7,9,15,17-18,20-22,25-33,35-37H,8H2,1H3/t9-,15+,17-,18-,20+,21-,22+,25+,26-,27-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)O[C@H](CO)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O15,pos_2_1proton1potassium,594.1584702600001,OHOBPOYHROOXEI,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Monteverdia aquifolium,1060183.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Monteverdia'],['Monteverdia aquifolia'],6,0,6.0 36832,1366,-1,,,,0.0,MS1_match,OHOBPOYHROOXEI-SRIOWEGGSA-N,"InChI=1S/C27H30O15/c1-9-17(32)20(35)22(37)26(38-9)42-25-21(36)18(33)15(8-28)40-27(25)41-24-19(34)16-13(31)6-12(30)7-14(16)39-23(24)10-2-4-11(29)5-3-10/h2-7,9,15,17-18,20-22,25-33,35-37H,8H2,1H3/t9-,15+,17-,18-,20+,21-,22+,25+,26-,27-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)O[C@H](CO)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O15,pos_2_1proton1potassium,594.1584702600001,OHOBPOYHROOXEI,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Monteverdia aquifolium,1060183.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Monteverdia'],['Monteverdia aquifolia'],6,0,6.0 36817,1361,720,Amino acids and Peptides,Small peptides,Dipeptides,0.47760996,ISDB,,,,,,,GMURXYJSTRMISD,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.9104398488998413 36812,1359,119,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,OLAKPNFIICOONC-VHSXEESVSA-N,"InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h6,9-11H,1,4-5H2,2-3H3/t9-,10+/m0/s1",C=C(C)[C@@H]1CCC(C)=C[C@H]1O,C10H16O,pos_2MHNH3,152.120115132,OLAKPNFIICOONC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 36813,1359,119,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,DSSYKIVIOFKYAU-XVKPBYJWSA-N,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3/t7-,10-/m0/s1",CC1(C)[C@H]2CC[C@@]1(C)C(=O)C2,C10H16O,pos_2MHNH3,152.120115132,DSSYKIVIOFKYAU,Terpenoids,Monoterpenoids,Camphane monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 36814,1359,119,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,QFANMAOKAWEBQA-UHFFFAOYSA-N,"InChI=1S/C20H32O2/c1-13(2)10-19(21)22-12-14(3)11-17-8-6-15(4)18-9-7-16(5)20(17)18/h11,13,15,17-18H,6-10,12H2,1-5H3",CC(=CC1CCC(C)C2CCC(C)=C12)COC(=O)CC(C)C,C20H32O2,pos_1_1proton1ammonium,304.240230264,QFANMAOKAWEBQA,Terpenoids,Sesquiterpenoids,Valerenane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 36815,1359,119,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,RXBQNMWIQKOSCS-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h3,8-9,11H,4-6H2,1-2H3",CC1(C)C2CC=C(CO)C1C2,C10H16O,pos_2MHNH3,152.120115132,RXBQNMWIQKOSCS,Terpenoids,Monoterpenoids,Pinane monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 36809,1358,-1,,,,0.0,MS1_match,BYWPUNIXQZJWRS-UHFFFAOYSA-N,"InChI=1S/C10H16O3/c1-5-6-3-8(11)10(2)7(6)4-12-9(5)13-10/h5-9,11H,3-4H2,1-2H3",CC1C2OCC3C1CC(O)C3(C)O2,C10H16O3,pos_1_1proton1methanol,184.109944372,BYWPUNIXQZJWRS,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,0,6.0 36810,1358,-1,,,,0.0,MS1_match,BYWPUNIXQZJWRS-RSMBCMNPSA-N,"InChI=1S/C10H16O3/c1-5-6-3-8(11)10(2)7(6)4-12-9(5)13-10/h5-9,11H,3-4H2,1-2H3/t5-,6+,7+,8-,9-,10-/m0/s1",C[C@@H]1[C@H]2OC[C@@H]3[C@@H]1C[C@H](O)[C@@]3(C)O2,C10H16O3,pos_1_1proton1methanol,184.109944372,BYWPUNIXQZJWRS,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia scabra,68239.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia scabra'],6,0,6.0 36811,1358,-1,,,,0.0,MS1_match,KCIYXMDQXNFJBA-BDNRQGISSA-N,"InChI=1S/C10H16O3/c1-6-7-3-4-10(2,12)8(7)5-13-9(6)11/h6-8,12H,3-5H2,1-2H3/t6-,7-,8+,10-/m1/s1",C[C@H]1C(=O)OC[C@H]2[C@@H]1CC[C@@]2(C)O,C10H16O3,pos_1_1proton1methanol,184.109944372,KCIYXMDQXNFJBA,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia scabra,68239.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia scabra'],6,0,6.0 36808,1357,463,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,AXCXHFKZHDEKTP-UHFFFAOYSA-N,"InChI=1S/C10H10O2/c1-12-10-6-4-9(5-7-10)3-2-8-11/h2-8H,1H3",COc1ccc(C=CC=O)cc1,C10H10O2,pos_2MH,162.06807956,AXCXHFKZHDEKTP,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Morina chinensis,68249.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Morina'],['Morina chinensis'],6,3,7.5 36784,1356,-1,,,,0.0,MS1_match,AOGQPLXWSUTHQB-UHFFFAOYSA-N,"InChI=1S/C8H16O2/c1-3-4-5-6-7-10-8(2)9/h3-7H2,1-2H3",CCCCCCOC(C)=O,C8H16O2,pos_2MH,144.115029752,AOGQPLXWSUTHQB,Fatty acids,Fatty esters,Wax monoesters,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 36780,1355,-1,,,,0.27252612,ISDB,,,,,,,IPZODHUFASKBDV,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.0901044607162476 36779,1352,170,,,,0.39260095,ISDB,,,,,,,XBVKXOUBKPSYOS,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.570403814315796 36775,1349,248,Fatty acids,Fatty amides,N-acyl amines,0.65364414,ISDB,ZNXZGRMVNNHPCA-VIFPVBQESA-N,"InChI=1S/C11H22N2O4S/c1-11(2,7-14)9(16)10(17)13-4-3-8(15)12-5-6-18/h9,14,16,18H,3-7H2,1-2H3,(H,12,15)(H,13,17)/t9-/m0/s1",CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)NCCS,C11H22N2O4S,,278.130028184,ZNXZGRMVNNHPCA,Fatty acids,Fatty amides,N-acyl amines,Brassica napus,309234.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica napus'],4,3,8.114576578140259 36668,1346,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.55957747,ISDB,QFTPTUOKFIIFJH-MODFVPIOSA-N,"InChI=1S/C19H32O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-6,10-11,13-17,20,22-25H,7-9H2,1-4H3/b6-5+/t10-,11-,13-,14-,15+,16-,17-,19-/m1/s1",C[C@H](/C=C/[C@@]1(O)[C@H](C)CC(=O)CC1(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O8,,388.20971798399984,QFTPTUOKFIIFJH,Terpenoids,Apocarotenoids,Megastigmanes,Helicia cochinchinensis,835265.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Proteales'],['Proteaceae'],['Unknown'],['Helicia'],['Helicia cochinchinensis'],4,1,6.738309860229492 36669,1346,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.55957747,ISDB,QFTPTUOKFIIFJH-AATRIKPKSA-N,"InChI=1S/C19H32O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-6,10-11,13-17,20,22-25H,7-9H2,1-4H3/b6-5+",CC(/C=C/C1(O)C(C)CC(=O)CC1(C)C)OC1OC(CO)C(O)C(O)C1O,C19H32O8,,388.209717984,QFTPTUOKFIIFJH,Terpenoids,Apocarotenoids,Megastigmanes,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],4,1,6.738309860229492 36670,1346,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.55957747,ISDB,QFTPTUOKFIIFJH-MODFVPIOSA-N,"InChI=1S/C19H32O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-6,10-11,13-17,20,22-25H,7-9H2,1-4H3/b6-5+/t10-,11-,13-,14-,15+,16-,17-,19-/m1/s1",C[C@H](/C=C/[C@@]1(O)[C@H](C)CC(=O)CC1(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O8,,388.20971798399984,QFTPTUOKFIIFJH,Terpenoids,Apocarotenoids,Megastigmanes,Myrsine seguinii,659787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Primulaceae'],['Unknown'],['Myrsine'],['Myrsine seguinii'],4,1,6.738309860229492 36671,1346,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.55957747,ISDB,QFTPTUOKFIIFJH-UAGWJTNKSA-N,"InChI=1S/C19H32O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-6,10-11,13-17,20,22-25H,7-9H2,1-4H3/b6-5+/t10-,11+,13-,14-,15+,16-,17-,19-/m1/s1",C[C@@H]1CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O8,,388.209717984,QFTPTUOKFIIFJH,Terpenoids,Apocarotenoids,Megastigmanes,Laurus,571536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Laurus'],['Unknown'],4,1,6.738309860229492 36672,1346,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.55957747,ISDB,QFTPTUOKFIIFJH-UAGWJTNKSA-N,"InChI=1S/C19H32O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-6,10-11,13-17,20,22-25H,7-9H2,1-4H3/b6-5+/t10-,11+,13-,14-,15+,16-,17-,19-/m1/s1",C[C@@H]1CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O8,,388.209717984,QFTPTUOKFIIFJH,Terpenoids,Apocarotenoids,Megastigmanes,Artemisia chamaemelifolia,119282.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia chamaemelifolia'],4,1,6.738309860229492 36673,1346,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.55957747,ISDB,QFTPTUOKFIIFJH-UAGWJTNKSA-N,"InChI=1S/C19H32O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-6,10-11,13-17,20,22-25H,7-9H2,1-4H3/b6-5+/t10-,11+,13-,14-,15+,16-,17-,19-/m1/s1",C[C@@H]1CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O8,,388.209717984,QFTPTUOKFIIFJH,Terpenoids,Apocarotenoids,Megastigmanes,Artemisia gmelinii,115033.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia gmelinii'],4,1,6.738309860229492 36674,1346,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.55957747,ISDB,QFTPTUOKFIIFJH-UAGWJTNKSA-N,"InChI=1S/C19H32O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-6,10-11,13-17,20,22-25H,7-9H2,1-4H3/b6-5+/t10-,11+,13-,14-,15+,16-,17-,19-/m1/s1",C[C@@H]1CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O8,,388.209717984,QFTPTUOKFIIFJH,Terpenoids,Apocarotenoids,Megastigmanes,Artemisia santolinifolia,154486.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia santolinifolia'],4,1,6.738309860229492 36675,1346,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.55957747,ISDB,QFTPTUOKFIIFJH-UAGWJTNKSA-N,"InChI=1S/C19H32O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-6,10-11,13-17,20,22-25H,7-9H2,1-4H3/b6-5+/t10-,11+,13-,14-,15+,16-,17-,19-/m1/s1",C[C@@H]1CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O8,,388.209717984,QFTPTUOKFIIFJH,Terpenoids,Apocarotenoids,Megastigmanes,Artemisia stechmanniana,154486.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia santolinifolia'],4,1,6.738309860229492 36658,1344,-1,,,,0.2049571,ISDB,DXQGHBIXJLKBGR-SANMLTNESA-N,"InChI=1S/C29H50O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-26(30)24-29(33)34-22-17-18-25-20-21-27(31)28(32)23-25/h20-21,23,26,30-32H,2-19,22,24H2,1H3/t26-/m0/s1",CCCCCCCCCCCCCCCCC[C@H](O)CC(=O)OCCCc1ccc(O)c(O)c1,C29H50O5,,478.3658247,DXQGHBIXJLKBGR,Polyketides,Aromatic polyketides,Catechols with side chains,Pegolettia senegalensis,782981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Pegolettia'],['Pegolettia senegalensis'],4,0,4.819828391075134 36657,1343,432,Polyketides,Glycerolipids,Glycosyldiacylglycerols,0.44606915,ISDB,IXGDAVSSYHYPJX-GNQOIDSESA-N,"InChI=1S/C51H78O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42(53)61-36-39(64-43(54)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-62-50-49(60)47(58)45(56)41(66-50)38-63-51-48(59)46(57)44(55)40(35-52)65-51/h5-8,11-14,17-20,23-26,29,31,39-41,44-52,55-60H,3-4,9-10,15-16,21-22,27-28,30,32-38H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-/t39-,40-,41-,44+,45+,46+,47+,48-,49-,50-,51+/m1/s1",CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC(=O)OC[C@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC,C51H78O15,,930.534071796,IXGDAVSSYHYPJX,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Heterocapsa circularisquama,817277.0,['Eukaryota'],['Unknown'],['Unknown'],['Dinophyceae'],['Peridiniales'],['Unknown'],['Unknown'],['Heterocapsa'],['Heterocapsa circularisquama'],1,3,4.284276604652405 36641,1342,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.8308776,ISDB,OIIJXQMSEYQDDI-UHFFFAOYSA-N,"InChI=1S/C13H18/c1-9-7-8-11(3)13-10(2)5-4-6-12(9)13/h7-8,10H,4-6H2,1-3H3",Cc1ccc(C)c2c1CCCC2C,C13H18,,174.140850576,OIIJXQMSEYQDDI,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],4,3,8.82351040840149 36637,1341,-1,,,,0.0,MS1_match,RXGJFLXLQIECAN-BZDFKLGJSA-N,"InChI=1S/C22H34NO2/c1-15-16-4-8-21(19(15)25)9-5-17-20(2)6-3-7-22(17,18(21)12-16)14-23(13-20)10-11-24/h14,16-19,24-25H,1,3-13H2,2H3/q+1/t16-,17+,18+,19+,20-,21-,22-/m0/s1",C=C1[C@H]2CC[C@@]3(CC[C@@H]4[C@@]5(C)CCC[C@@]4(C=[N+](CCO)C5)[C@@H]3C2)[C@@H]1O,C22H34NO2+,pos_1_minus1proton2sodium,344.25840574809,RXGJFLXLQIECAN,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium favargeri,209870.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium favargeri'],6,0,6.0 36638,1341,-1,,,,0.0,MS1_match,RXGJFLXLQIECAN-BZDFKLGJSA-N,"InChI=1S/C22H34NO2/c1-15-16-4-8-21(19(15)25)9-5-17-20(2)6-3-7-22(17,18(21)12-16)14-23(13-20)10-11-24/h14,16-19,24-25H,1,3-13H2,2H3/q+1/t16-,17+,18+,19+,20-,21-,22-/m0/s1",C=C1[C@H]2CC[C@@]3(CC[C@@H]4[C@@]5(C)CCC[C@@]4(C=[N+](CCO)C5)[C@@H]3C2)[C@@H]1O,C22H34NO2+,pos_1_minus1proton2sodium,344.25840574809,RXGJFLXLQIECAN,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium peregrinum,885398.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium peregrinum'],6,0,6.0 36639,1341,-1,,,,0.0,MS1_match,RXGJFLXLQIECAN-JPMOWHAPSA-N,"InChI=1S/C22H34NO2/c1-15-16-4-8-21(19(15)25)9-5-17-20(2)6-3-7-22(17,18(21)12-16)14-23(13-20)10-11-24/h14,16-19,24-25H,1,3-13H2,2H3/q+1/t16?,17-,18-,19-,20+,21+,22+/m1/s1",C=C1C2CC[C@@]3(CC[C@@H]4[C@@]5(C)CCC[C@@]4(C=[N+](CCO)C5)[C@@H]3C2)[C@@H]1O,C22H34NO2+,pos_1_minus1proton2sodium,344.25840574809,RXGJFLXLQIECAN,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum jaluense,549539.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum jaluense'],6,0,6.0 36640,1341,-1,,,,0.0,MS1_match,RXGJFLXLQIECAN-BZDFKLGJSA-N,"InChI=1S/C22H34NO2/c1-15-16-4-8-21(19(15)25)9-5-17-20(2)6-3-7-22(17,18(21)12-16)14-23(13-20)10-11-24/h14,16-19,24-25H,1,3-13H2,2H3/q+1/t16-,17+,18+,19+,20-,21-,22-/m0/s1",C=C1[C@H]2CC[C@@]3(CC[C@@H]4[C@@]5(C)CCC[C@@]4(C=[N+](CCO)C5)[C@@H]3C2)[C@@H]1O,C22H34NO2+,pos_1_minus1proton2sodium,344.25840574809,RXGJFLXLQIECAN,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum orochryseum,6131466.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum orochryseum'],6,0,6.0 36530,1339,-1,,,,0.644086,ISDB,OSULXBNEGGTCCA-XXGPQQRCSA-N,"InChI=1S/C20H26O2/c1-11-14-8-12-4-5-17-19(2,7-6-13-10-20(13,17)3)15(12)9-16(14)22-18(11)21/h8,13,15-17H,4-7,9-10H2,1-3H3/t13-,15-,16-,17+,19+,20+/m1/s1",CC1=C2C=C3CC[C@@H]4[C@@]5(C)C[C@H]5CC[C@@]4(C)[C@@H]3C[C@H]2OC1=O,C20H26O2,,298.193280072,OSULXBNEGGTCCA,Terpenoids,Diterpenoids,Cycloabietane diterpenoids,Suregada glomerulata,1082259.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Gelonieae'],['Suregada'],['Suregada glomerulata'],4,0,6.576344013214111 36364,1337,-1,,,,0.7079338,ISDB,KQBASRSRJMDOBH-GOSISDBHSA-N,"InChI=1S/C21H34O3/c1-3-4-5-6-7-8-9-10-11-12-18-13-17-14-19(23-2)15-21(22)20(17)16-24-18/h14-15,18,22H,3-13,16H2,1-2H3/t18-/m1/s1",CCCCCCCCCCC[C@@H]1Cc2cc(OC)cc(O)c2CO1,C21H34O3,,334.250794948,KQBASRSRJMDOBH,Polyketides,Chromanes,Azaphilones,Ononis natrix,1072855.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Ononis'],['Ononis natrix'],4,0,6.831735134124756 36352,1335,-1,,,,0.5277489,ISDB,APGVHKPCMRXAPJ-UHFFFAOYSA-N,"InChI=1S/C39H60O5/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27-38(40)43-29-23-26-35-31-36(41-5)39(37(32-35)42-6)44-30-28-34(4)25-22-24-33(2)3/h11-12,14-15,23-24,26,28,31-32H,7-10,13,16-22,25,27,29-30H2,1-6H3",CCCCCC=CCC=CCCCCCCCC(=O)OCC=Cc1cc(OC)c(OCC=C(C)CCC=C(C)C)c(OC)c1,C39H60O5,,608.44407502,APGVHKPCMRXAPJ,,,,Ligularia nelumbifolia,896803.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Ligularia'],['Ligularia nelumbifolia'],4,0,6.110995531082153 36293,1333,835,Terpenoids,Steroids,Pregnane steroids,0.47691658,ISDB,PJDRPKPUOVBEGQ-GYHMJCRDSA-N,"InChI=1S/C21H34O6/c1-11(22)20(26)8-9-21(27)14-5-4-12-10-13(23)6-7-18(12,2)15(14)16(24)17(25)19(20,21)3/h4,11,13-17,22-27H,5-10H2,1-3H3/t11-,13+,14-,15-,16+,17-,18+,19-,20-,21+/m1/s1",C[C@@H](O)[C@]1(O)CC[C@]2(O)[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3[C@H](O)[C@@H](O)[C@]12C,C21H34O6,,382.235538808,PJDRPKPUOVBEGQ,Terpenoids,Steroids,Pregnane steroids,Marsdenia roylei,6067183.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Marsdenieae'],['Marsdenia'],['Marsdenia roylei'],4,3,7.407666325569153 36291,1331,7,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.21719141,ISDB,DEUAMKIXCAXPMV-UHFFFAOYSA-N,"InChI=1S/C24H38N2O4/c1-6-23(4)11-9-17-16(15-23)7-8-18-22(2,3)19(10-12-24(17,18)5)30-21(29)26-20(28)25-13-14-27/h6,9,16,18-19,27H,1,7-8,10-15H2,2-5H3,(H2,25,26,28,29)",C=CC1(C)CC=C2C(CCC3C2(C)CCC(OC(=O)NC(=O)NCCO)C3(C)C)C1,C24H38N2O4,,418.283157696,DEUAMKIXCAXPMV,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,Streptomyces albidoflavus,772836.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Streptomyces albidoflavus'],0,1,1.368765652179718 36292,1331,7,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.21719141,ISDB,DEUAMKIXCAXPMV-LQBJFXQCSA-N,"InChI=1S/C24H38N2O4/c1-6-23(4)11-9-17-16(15-23)7-8-18-22(2,3)19(10-12-24(17,18)5)30-21(29)26-20(28)25-13-14-27/h6,9,16,18-19,27H,1,7-8,10-15H2,2-5H3,(H2,25,26,28,29)/t16-,18+,19+,23-,24-/m0/s1",C=C[C@@]1(C)CC=C2[C@@H](CC[C@@H]3C(C)(C)[C@H](OC(=O)NC(=O)NCCO)CC[C@@]23C)C1,C24H38N2O4,,418.283157696,DEUAMKIXCAXPMV,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,Streptomyces,772892.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Unknown'],0,1,1.368765652179718 36287,1330,1312,Terpenoids,Diterpenoids,Glycerophosphocholines,0.0,MS1_match,LJYHBQXTZDRJST-BKLVVLCVSA-N,"InChI=1S/C19H24O6/c1-9(2)11-7-19(23)17-10(16(11)22)4-5-13-12(8-20)14(21)6-15(24-25-19)18(13,17)3/h7,9,12-13,15,20,23H,4-6,8H2,1-3H3/t12-,13+,15-,18-,19-/m1/s1",CC(C)C1=C[C@@]2(O)OO[C@@H]3CC(=O)[C@H](CO)[C@@H]4CCC(=C2[C@@]34C)C1=O,C19H24O6,pos_2MCH3CNNa,348.157288488,LJYHBQXTZDRJST,Terpenoids,Diterpenoids,Abietane diterpenoids,Tripterygium wilfordii,300831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium wilfordii'],6,2,7.0 36220,1327,486,Shikimates and Phenylpropanoids,Cyclic polyketides,Cinnamic acids and derivatives,0.47566578,ISDB,PFHBQBOWTMLEJD-MRVPVSSYSA-N,"InChI=1S/C11H16O2/c1-4-8(3)10-7-6-9(5-2)11(12)13-10/h6-8H,4-5H2,1-3H3/t8-/m1/s1",CCc1ccc([C@H](C)CC)oc1=O,C11H16O2,,180.115029752,PFHBQBOWTMLEJD,Polyketides,Cyclic polyketides,2-pyrone derivatives,Nocardiopsis,176964.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptosporangiales'],['Nocardiopsaceae'],['Unknown'],['Nocardiopsis'],['Unknown'],0,2,2.9026631116867065 36179,1324,94,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.7034478,ISDB,BNJOQKFENDDGSC-UHFFFAOYSA-N,"InChI=1S/C18H34O4/c19-17(20)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(21)22/h1-16H2,(H,19,20)(H,21,22)",O=C(O)CCCCCCCCCCCCCCCCC(=O)O,C18H34O4,,314.245709568,BNJOQKFENDDGSC,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],4,2,7.813791275024414 36172,1323,1396,Terpenoids,Diterpenoids,Abietane diterpenoids,0.21669205,ISDB,UAEUNTXALQHLMF-UWJYYQICSA-N,"InChI=1S/C21H28O3/c1-12(2)14-6-9-18-16(19(14)24-5)7-8-17-13(3)15(20(22)23)10-11-21(17,18)4/h6,9,12,17H,7-8,10-11H2,1-5H3,(H,22,23)/t17-,21-/m0/s1",COc1c(C(C)C)ccc2c1CC[C@H]1C(C)=C(C(=O)O)CC[C@]21C,C21H28O3,,328.203844756,UAEUNTXALQHLMF,Terpenoids,Diterpenoids,Abietane diterpenoids,Tripterygium wilfordii,300831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium wilfordii'],4,3,6.366768181324005 36173,1323,1396,Terpenoids,Diterpenoids,Abietane diterpenoids,0.21669205,ISDB,UAEUNTXALQHLMF-UHFFFAOYSA-N,"InChI=1S/C21H28O3/c1-12(2)14-6-9-18-16(19(14)24-5)7-8-17-13(3)15(20(22)23)10-11-21(17,18)4/h6,9,12,17H,7-8,10-11H2,1-5H3,(H,22,23)",COc1c(C(C)C)ccc2c1CCC1C(C)=C(C(=O)O)CCC21C,C21H28O3,,328.203844756,UAEUNTXALQHLMF,Terpenoids,Diterpenoids,Abietane diterpenoids,Tripterygium hypoglaucum,906992.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium hypoglaucum'],4,3,6.366768181324005 36166,1322,-1,,,,0.0,MS1_match,MLQSJCKTTGXTJK-UHFFFAOYSA-N,"InChI=1S/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(19(22)23)15-18(21)16-20/h17-18,20-21H,2-16H2,1H3,(H,22,23)",CCCCCCCCCCCCCCC(CC(O)CO)C(=O)O,C19H38O4,pos_1_1proton1acetonitrile,330.277009696,MLQSJCKTTGXTJK,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Actaea racemosa,512702.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea racemosa'],6,0,6.0 36167,1322,-1,,,,0.0,MS1_match,QHZLMUACJMDIAE-UHFFFAOYSA-N,"InChI=1S/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h18,20-21H,2-17H2,1H3",CCCCCCCCCCCCCCCC(=O)OCC(O)CO,C19H38O4,pos_1_1proton1acetonitrile,330.277009696,QHZLMUACJMDIAE,Fatty acids,Glycerolipids,Monoacylglycerols,Actaea racemosa,512702.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea racemosa'],6,0,6.0 36168,1322,-1,,,,0.0,MS1_match,QHZLMUACJMDIAE-UHFFFAOYSA-N,"InChI=1S/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h18,20-21H,2-17H2,1H3",CCCCCCCCCCCCCCCC(=O)OCC(O)CO,C19H38O4,pos_1_1proton1acetonitrile,330.277009696,QHZLMUACJMDIAE,Fatty acids,Glycerolipids,Monoacylglycerols,Actaea racemosa,512702.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea racemosa'],6,0,6.0 36000,1320,58,Polyketides,Glycerolipids,Glycosyldiacylglycerols,0.74995255,ISDB,IWTONJRAUBPRDR-UXHICEINSA-N,"InChI=1S/C21H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-17-20(18-22)24-21(19)23/h7-8,19-20,22H,2-6,11-18H2,1H3/t19-,20+/m1/s1",CCCCCCC=CC#CCCCCCC[C@@H]1C[C@@H](CO)OC1=O,C21H34O3,,334.250794948,IWTONJRAUBPRDR,Polyketides,Linear polyketides,Acetogenins,Cananga brandisiana,757934.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Unknown'],['Cananga'],['Cananga brandisiana'],4,1,7.499810218811035 35964,1318,964,Terpenoids,Diterpenoids,Menthane monoterpenoids,0.0,MS1_match,RECUKUPTGUEGMW-UHFFFAOYSA-N,"InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-7,11H,1-3H3",Cc1ccc(C(C)C)cc1O,C10H14O,pos_2MH,150.104465068,RECUKUPTGUEGMW,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 35960,1317,-1,,,,0.0,MS1_match,JVAVVXRDSNKYPD-UHFFFAOYSA-N,"InChI=1S/C15H20O4/c1-9-4-3-5-11(15(17)18)7-12-8-13(12)14(6-9)19-10(2)16/h4,7,12-14H,3,5-6,8H2,1-2H3,(H,17,18)",CC(=O)OC1CC(C)=CCCC(C(=O)O)=CC2CC21,C15H20O4,pos_1_1proton,264.13615912,JVAVVXRDSNKYPD,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 35961,1317,-1,,,,0.0,MS1_match,JVAVVXRDSNKYPD-UHFFFAOYSA-N,"InChI=1S/C15H20O4/c1-9-4-3-5-11(15(17)18)7-12-8-13(12)14(6-9)19-10(2)16/h4,7,12-14H,3,5-6,8H2,1-2H3,(H,17,18)",CC(=O)OC1CC(C)=CCCC(C(=O)O)=CC2CC21,C15H20O4,pos_1_1proton,264.13615912,JVAVVXRDSNKYPD,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,Valeriana dageletiana,7625130.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana dageletiana'],6,0,6.0 35962,1317,-1,,,,0.0,MS1_match,GYTISTMGTHKMCE-RMHXPDDSSA-N,"InChI=1S/C15H20O4/c1-7-5-8(16)6-9-10(17)11-12(19-11)13(14(2,3)18)15(7,9)4/h6-7,11-13,18H,5H2,1-4H3/t7-,11-,12-,13+,15+/m1/s1",C[C@@H]1CC(=O)C=C2C(=O)[C@H]3O[C@H]3[C@@H](C(C)(C)O)[C@]21C,C15H20O4,pos_1_1proton,264.13615912,GYTISTMGTHKMCE,Terpenoids,Sesquiterpenoids,Nardosinane sesquiterpenoids,Nardostachys jatamansi,24101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Nardostachys'],['Nardostachys jatamansi'],6,0,6.0 35955,1315,928,Fatty acids,Glycerophospholipids,Glycerophosphoserines,0.3168925,ISDB,BWQAJZLCZFRDSD-FQGNUJBYSA-N,"InChI=1S/C40H76NO10P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(42)48-33-36(34-49-52(46,47)50-35-37(41)40(44)45)51-39(43)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h14,16,36-37H,3-13,15,17-35,41H2,1-2H3,(H,44,45)(H,46,47)/b16-14-/t36-,37+/m1/s1",CCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(O)OC[C@H](N)C(=O)O,C40H76NO10P,,761.520684262,BWQAJZLCZFRDSD,Fatty acids,Glycerophospholipids,Glycerophosphoserines,Aphis gossypii,1026471.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hemiptera'],['Aphididae'],['Aphidini'],['Aphis'],['Aphis gossypii'],1,3,3.7675700187683105 35956,1315,928,Fatty acids,Glycerophospholipids,Glycerophosphoserines,0.3168925,ISDB,BWQAJZLCZFRDSD-FQGNUJBYSA-N,"InChI=1S/C40H76NO10P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(42)48-33-36(34-49-52(46,47)50-35-37(41)40(44)45)51-39(43)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h14,16,36-37H,3-13,15,17-35,41H2,1-2H3,(H,44,45)(H,46,47)/b16-14-/t36-,37+/m1/s1",CCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(O)OC[C@H](N)C(=O)O,C40H76NO10P,,761.520684262,BWQAJZLCZFRDSD,Fatty acids,Glycerophospholipids,Glycerophosphoserines,Lysiphlebia japonica,697724.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hymenoptera'],['Braconidae'],['Unknown'],['Lysiphlebia'],['Lysiphlebia japonica'],1,3,3.7675700187683105 35891,1314,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,AMBQHHVBBHTQBF-UOUCRYGSSA-N,"InChI=1S/C17H26O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6-,7+,9-,10+,11+,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](C)[C@@H](O)C[C@H]12,C17H26O10,pos_1_1potassium,390.1525970319999,AMBQHHVBBHTQBF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera angustifolia,6061340.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera angustifolia'],7,2,8.0 35892,1314,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,AMBQHHVBBHTQBF-UOUCRYGSSA-N,"InChI=1S/C17H26O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6-,7+,9-,10+,11+,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](C)[C@@H](O)C[C@H]12,C17H26O10,pos_1_1potassium,390.1525970319999,AMBQHHVBBHTQBF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera morrowii,484242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],7,2,8.0 35893,1314,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,AMBQHHVBBHTQBF-UOUCRYGSSA-N,"InChI=1S/C17H26O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6-,7+,9-,10+,11+,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](C)[C@@H](O)C[C@H]12,C17H26O10,pos_1_1potassium,390.1525970319999,AMBQHHVBBHTQBF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],7,2,8.0 35894,1314,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,AMBQHHVBBHTQBF-UOUCRYGSSA-N,"InChI=1S/C17H26O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6-,7+,9-,10+,11+,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](C)[C@@H](O)C[C@H]12,C17H26O10,pos_1_1potassium,390.1525970319999,AMBQHHVBBHTQBF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera periclymenum,811893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera periclymenum'],7,2,8.0 35895,1314,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,AMBQHHVBBHTQBF-UOUCRYGSSA-N,"InChI=1S/C17H26O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6-,7+,9-,10+,11+,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](C)[C@@H](O)C[C@H]12,C17H26O10,pos_1_1potassium,390.1525970319999,AMBQHHVBBHTQBF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera angustifolia,6061340.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera angustifolia'],7,2,8.0 35896,1314,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,AMBQHHVBBHTQBF-UHFFFAOYSA-N,"InChI=1S/C17H26O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,9-14,16-22H,3-4H2,1-2H3",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1CC(O)C2C,C17H26O10,pos_1_1potassium,390.1525970319999,AMBQHHVBBHTQBF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,2,8.0 35897,1314,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,AMBQHHVBBHTQBF-UOUCRYGSSA-N,"InChI=1S/C17H26O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6-,7+,9-,10+,11+,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](C)[C@@H](O)C[C@H]12,C17H26O10,pos_1_1potassium,390.1525970319999,AMBQHHVBBHTQBF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera periclymenum,811893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera periclymenum'],7,2,8.0 35898,1314,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,AMBQHHVBBHTQBF-UOUCRYGSSA-N,"InChI=1S/C17H26O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6-,7+,9-,10+,11+,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](C)[C@@H](O)C[C@H]12,C17H26O10,pos_1_1potassium,390.1525970319999,AMBQHHVBBHTQBF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera tatarica,980069.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],7,2,8.0 35899,1314,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,AMBQHHVBBHTQBF-UOUCRYGSSA-N,"InChI=1S/C17H26O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6-,7+,9-,10+,11+,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](C)[C@@H](O)C[C@H]12,C17H26O10,pos_1_1potassium,390.1525970319999,AMBQHHVBBHTQBF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera tatarica,980069.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],7,2,8.0 35900,1314,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,AMBQHHVBBHTQBF-UOUCRYGSSA-N,"InChI=1S/C17H26O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6-,7+,9-,10+,11+,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](C)[C@@H](O)C[C@H]12,C17H26O10,pos_1_1potassium,390.1525970319999,AMBQHHVBBHTQBF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],7,2,8.0 35901,1314,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,AMBQHHVBBHTQBF-UOUCRYGSSA-N,"InChI=1S/C17H26O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6-,7+,9-,10+,11+,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](C)[C@@H](O)C[C@H]12,C17H26O10,pos_1_1potassium,390.1525970319999,AMBQHHVBBHTQBF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera quinquelocularis,118025.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera quinquelocularis'],7,2,8.0 35902,1314,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,AMBQHHVBBHTQBF-UOUCRYGSSA-N,"InChI=1S/C17H26O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6-,7+,9-,10+,11+,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](C)[C@@H](O)C[C@H]12,C17H26O10,pos_1_1potassium,390.1525970319999,AMBQHHVBBHTQBF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera dioica,920862.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera dioica'],7,2,8.0 35903,1314,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,AMBQHHVBBHTQBF-UOUCRYGSSA-N,"InChI=1S/C17H26O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6-,7+,9-,10+,11+,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](C)[C@@H](O)C[C@H]12,C17H26O10,pos_1_1potassium,390.1525970319999,AMBQHHVBBHTQBF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera morrowii,484242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],7,2,8.0 35904,1314,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,AMBQHHVBBHTQBF-UHFFFAOYSA-N,"InChI=1S/C17H26O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,9-14,16-22H,3-4H2,1-2H3",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1CC(O)C2C,C17H26O10,pos_1_1potassium,390.1525970319999,AMBQHHVBBHTQBF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera macrantha,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,2,8.0 35905,1314,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,AMBQHHVBBHTQBF-UOUCRYGSSA-N,"InChI=1S/C17H26O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6-,7+,9-,10+,11+,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](C)[C@@H](O)C[C@H]12,C17H26O10,pos_1_1potassium,390.1525970319999,AMBQHHVBBHTQBF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera korolkowii,692192.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera korolkowii'],7,2,8.0 35906,1314,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,AMBQHHVBBHTQBF-UHFFFAOYSA-N,"InChI=1S/C17H26O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,9-14,16-22H,3-4H2,1-2H3",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1CC(O)C2C,C17H26O10,pos_1_1potassium,390.1525970319999,AMBQHHVBBHTQBF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,2,8.0 35907,1314,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,AMBQHHVBBHTQBF-UHFFFAOYSA-N,"InChI=1S/C17H26O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,9-14,16-22H,3-4H2,1-2H3",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1CC(O)C2C,C17H26O10,pos_1_1potassium,390.1525970319999,AMBQHHVBBHTQBF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera confusa,594829.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera confusa'],7,2,8.0 35908,1314,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,AMBQHHVBBHTQBF-UHFFFAOYSA-N,"InChI=1S/C17H26O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,9-14,16-22H,3-4H2,1-2H3",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1CC(O)C2C,C17H26O10,pos_1_1potassium,390.1525970319999,AMBQHHVBBHTQBF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera hypoglauca,235196.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera hypoglauca'],7,2,8.0 35909,1314,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,AMBQHHVBBHTQBF-UHFFFAOYSA-N,"InChI=1S/C17H26O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,9-14,16-22H,3-4H2,1-2H3",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1CC(O)C2C,C17H26O10,pos_1_1potassium,390.1525970319999,AMBQHHVBBHTQBF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera fulvotomentosa,650610.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera fulvotomentosa'],7,2,8.0 35910,1314,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,AMBQHHVBBHTQBF-UHFFFAOYSA-N,"InChI=1S/C17H26O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,9-14,16-22H,3-4H2,1-2H3",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1CC(O)C2C,C17H26O10,pos_1_1potassium,390.1525970319999,AMBQHHVBBHTQBF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera macrantha,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,2,8.0 35911,1314,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,AMBQHHVBBHTQBF-UOUCRYGSSA-N,"InChI=1S/C17H26O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6-,7+,9-,10+,11+,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](C)[C@@H](O)C[C@H]12,C17H26O10,pos_1_1potassium,390.1525970319999,AMBQHHVBBHTQBF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera quinquelocularis,118025.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera quinquelocularis'],7,2,8.0 35912,1314,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,AMBQHHVBBHTQBF-UHFFFAOYSA-N,"InChI=1S/C17H26O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,9-14,16-22H,3-4H2,1-2H3",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1CC(O)C2C,C17H26O10,pos_1_1potassium,390.1525970319999,AMBQHHVBBHTQBF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera fulvotomentosa,650610.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera fulvotomentosa'],7,2,8.0 35913,1314,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,AMBQHHVBBHTQBF-UHFFFAOYSA-N,"InChI=1S/C17H26O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,9-14,16-22H,3-4H2,1-2H3",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1CC(O)C2C,C17H26O10,pos_1_1potassium,390.1525970319999,AMBQHHVBBHTQBF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera hypoglauca,235196.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera hypoglauca'],7,2,8.0 35914,1314,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,AMBQHHVBBHTQBF-UHFFFAOYSA-N,"InChI=1S/C17H26O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,9-14,16-22H,3-4H2,1-2H3",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1CC(O)C2C,C17H26O10,pos_1_1potassium,390.1525970319999,AMBQHHVBBHTQBF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera confusa,594829.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera confusa'],7,2,8.0 35915,1314,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,AMBQHHVBBHTQBF-UOUCRYGSSA-N,"InChI=1S/C17H26O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6-,7+,9-,10+,11+,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](C)[C@@H](O)C[C@H]12,C17H26O10,pos_1_1potassium,390.1525970319999,AMBQHHVBBHTQBF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera dioica,920862.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera dioica'],7,2,8.0 35916,1314,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,AMBQHHVBBHTQBF-UOUCRYGSSA-N,"InChI=1S/C17H26O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6-,7+,9-,10+,11+,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](C)[C@@H](O)C[C@H]12,C17H26O10,pos_1_1potassium,390.1525970319999,AMBQHHVBBHTQBF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera korolkowii,692192.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera korolkowii'],7,2,8.0 35890,1311,-1,,,,0.0,MS1_match,WEYUSPOGCLAOEC-NCKBJQSISA-N,"InChI=1S/C29H38O16/c1-12(30)19-22(41-15(4)33)25(44-18(7)36)28(11-40-14(3)32)24(43-17(6)35)21(37)20-23(42-16(5)34)29(28,27(19,9)38)45-26(20,8)10-39-13(2)31/h19-20,22-25,38H,10-11H2,1-9H3/t19-,20+,22-,23+,24+,25-,26-,27-,28+,29-/m0/s1",CC(=O)OC[C@]12[C@H](OC(C)=O)C(=O)[C@@H]3[C@@H](OC(C)=O)[C@]1(O[C@@]3(C)COC(C)=O)[C@@](C)(O)[C@@H](C(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O,C29H38O16,pos_1_1proton1acetonitrile,642.215985136,WEYUSPOGCLAOEC,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Monteverdia chiapensis,6092929.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Monteverdia'],['Monteverdia chiapensis'],6,0,6.0 35848,1308,7,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.25285947,ISDB,JVHYYZMBYJJGJM-ZMDGZUOKSA-N,"InChI=1S/C40H54O4/c1-29(17-13-19-31(3)21-22-35(42)38(9)26-33(41)25-36(38,5)6)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)27-34(44-40)28-39(40,10)43/h11-24,34,43H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,38-,39+,40+/m0/s1",CC(/C=C/C=C(C)/C=C/C(=O)[C@]1(C)CC(=O)CC1(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]12O[C@@H](CC1(C)C)C[C@@]2(C)O,C40H54O4,,598.402210208,JVHYYZMBYJJGJM,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],4,2,6.011437892913818 35844,1307,100,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,JHUMCHQLYHVEBX-WORRYRDFSA-N,"InChI=1S/C21H26O10/c1-9(8-29-21-19(28)18(27)17(26)15(7-22)31-21)3-4-11-12(23)6-14(25)16-13(24)5-10(2)30-20(11)16/h3,5-6,15,17-19,21-23,25-28H,4,7-8H2,1-2H3/b9-3+/t15-,17-,18+,19-,21-/m1/s1",C/C(=C\Cc1c(O)cc(O)c2c(=O)cc(C)oc12)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C21H26O10,pos_1_1proton,438.152597032,JHUMCHQLYHVEBX,Polyketides,Chromanes,Chromones,Eranthis hyemalis,756503.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Eranthis'],['Eranthis hyemalis'],6,0,6.0 35845,1307,100,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,QIPLCTWVYHJTQK-WORRYRDFSA-N,"InChI=1S/C21H26O10/c1-9(7-22)3-4-11-14(6-13(25)16-12(24)5-10(2)29-20(11)16)30-21-19(28)18(27)17(26)15(8-23)31-21/h3,5-6,15,17-19,21-23,25-28H,4,7-8H2,1-2H3/b9-3+/t15-,17-,18+,19-,21-/m1/s1",C/C(=C\Cc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c2c(=O)cc(C)oc12)CO,C21H26O10,pos_1_1proton,438.152597032,QIPLCTWVYHJTQK,Polyketides,Chromanes,Chromones,Eranthis hyemalis,756503.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Eranthis'],['Eranthis hyemalis'],6,0,6.0 35846,1307,100,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,QIPLCTWVYHJTQK-WORRYRDFSA-N,"InChI=1S/C21H26O10/c1-9(7-22)3-4-11-14(6-13(25)16-12(24)5-10(2)29-20(11)16)30-21-19(28)18(27)17(26)15(8-23)31-21/h3,5-6,15,17-19,21-23,25-28H,4,7-8H2,1-2H3/b9-3+/t15-,17-,18+,19-,21-/m1/s1",C/C(=C\Cc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c2c(=O)cc(C)oc12)CO,C21H26O10,pos_1_1proton,438.152597032,QIPLCTWVYHJTQK,Polyketides,Chromanes,Chromones,Eranthis cilicica,5922989.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Eranthis'],['Eranthis cilicica'],6,0,6.0 35831,1301,242,Fatty acids,Sesquiterpenoids,Furans,0.58029175,ISDB,CTLVRIOTFRWXKP-BGTYHANMSA-N,"InChI=1S/C18H28O/c1-13-7-6-8-16-17(13,4)11-9-14(2)18(16,5)12-10-15(3)19/h6-7,14,16H,1,8-12H2,2-5H3/t14-,16-,17+,18+/m1/s1",C=C1C=CC[C@H]2[C@@](C)(CCC(C)=O)[C@H](C)CC[C@@]12C,C18H28O,,260.214015516,CTLVRIOTFRWXKP,Terpenoids,Sesquiterpenoids,,Parentucellia latifolia,981066.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Orobanchaceae'],['Rhinantheae'],['Parentucellia'],['Parentucellia latifolia'],4,2,7.3211669921875 35822,1296,223,Terpenoids,,,0.0,MS1_match,UCIXTVVKLXHKFA-FXPCSOOLSA-N,"InChI=1S/C24H36O13/c1-10(2)3-4-11-12(7-25)14(35-24-22(33)20(31)18(29)16(9-27)37-24)6-5-13(11)34-23-21(32)19(30)17(28)15(8-26)36-23/h3,5-6,15-33H,4,7-9H2,1-2H3/t15-,16-,17-,18-,19+,20+,21-,22-,23-,24-/m1/s1",CC(C)=CCc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1CO,C24H36O13,pos_2_1proton1potassium,532.215591212,UCIXTVVKLXHKFA,Terpenoids,,,Clematis terniflora var. mandshurica,446556.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis terniflora'],8,1,8.5 35804,1295,-1,,,,0.44595972,ISDB,QUZHZFAQJATMCA-QAZQWDDOSA-N,"InChI=1S/C45H74O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,38-39,42-46,49-51H,3-4,9-10,15-16,21-37H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t38-,39-,42+,43+,44-,45-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C45H74O10,,774.5281985680001,QUZHZFAQJATMCA,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Ranunculus fluitans,961752.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus fluitans'],6,0,7.783838868141174 35803,1294,-1,,,,0.0,MS1_match,MRIAQLRQZPPODS-UHFFFAOYSA-N,"InChI=1S/C21H22O8/c1-23-13-8-7-11(9-15(13)24-2)14-10-12(22)16-17(25-3)19(26-4)21(28-6)20(27-5)18(16)29-14/h7-10H,1-6H3",COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc1OC,C21H22O8,pos_1_1proton,402.1314676639999,MRIAQLRQZPPODS,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Tripterygium wilfordii,300831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium wilfordii'],6,0,6.0 35802,1292,-1,,,,0.7761064,ISDB,,,,,,,OLNJKAXRBXUBTB,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,3.1044256687164307 35693,1290,79,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.5359829,ISDB,TZAXQHDIMDQXRD-YJQAKTFBSA-N,"InChI=1S/C19H22O5/c1-4-9-18-10-5-6-16(21)19(18,22)24-17(12(18)2)13-7-8-14(20)15(11-13)23-3/h4-8,11-12,17,20,22H,1,9-10H2,2-3H3/t12-,17+,18-,19-/m1/s1",C=CC[C@]12CC=CC(=O)[C@@]1(O)O[C@H](c1ccc(O)c(OC)c1)[C@H]2C,C19H22O5,,330.146723804,TZAXQHDIMDQXRD,Shikimates and Phenylpropanoids,Lignans,Neolignans,Aniba ferrea,6025335.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Aniba'],['Aniba ferrea'],4,3,7.64393162727356 35673,1288,639,Terpenoids,Sesquiterpenoids,Menthane monoterpenoids,0.424196,ISDB,DGDRPKUDABZVDM-UHFFFAOYSA-N,"InChI=1S/C13H18O3/c1-8(2)11-7-12(15-5)9(3)6-13(11)16-10(4)14/h6-8H,1-5H3",COc1cc(C(C)C)c(OC(C)=O)cc1C,C13H18O3,,222.125594436,DGDRPKUDABZVDM,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Baccharis dracunculifolia,482153.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis dracunculifolia'],0,3,3.196784019470215 35670,1286,7,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.25803614,ISDB,ZWXNTVDOCZMZEJ-XTCLZLMSSA-N,"InChI=1S/C34H62O9/c1-7-8-9-10-11-12-13-14-15-19-28(36)20-17-16-18-24(2)21-25(3)22-26(4)30(37)27(5)33(40)43-29(23-35)31(38)32(39)34(41)42-6/h22,24-25,27-29,31-32,35-36,38-39H,7-21,23H2,1-6H3/b26-22+",CCCCCCCCCCCC(O)CCCCC(C)CC(C)/C=C(\C)C(=O)C(C)C(=O)OC(CO)C(O)C(O)C(=O)OC,C34H62O9,,614.439383564,ZWXNTVDOCZMZEJ,Polyketides,Linear polyketides,Open-chain polyketides,Lauriomyces bellulus,960163.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Leotiomycetes'],['Helotiales'],['Unknown'],['Unknown'],['Lauriomyces'],['Lauriomyces bellulus'],1,0,2.032144546508789 35668,1285,82,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.36347097,ISDB,PDIGSOAOQOXRDU-WJPZTBRDSA-N,"InChI=1S/C28H48NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28(31)34-25-27(30)26-36-37(32,33)35-24-23-29(2,3)4/h6-7,9-10,12-13,15-16,18-19,27,30H,5,8,11,14,17,20-26H2,1-4H3/b7-6-,10-9-,13-12-,16-15-,19-18-/t27-/m1/s1",CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C,C28H48NO7P,,541.316839506,PDIGSOAOQOXRDU,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Homo sapiens,770315.0,['Eukaryota'],['Metazoa'],['Chordata'],['Mammalia'],['Primates'],['Hominidae'],['Unknown'],['Homo'],['Homo sapiens'],1,3,3.9538838863372803 35666,1284,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.7839282,ISDB,LCDDKECOTQQPAO-UHFFFAOYSA-N,"InChI=1S/C22H40O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h3-4,6-7,9-10,23H,2,5,8,11-22H2,1H3",CCC=CCC=CCC=CCCCCCCCCCCCCO,C22H40O,,320.30791589999995,LCDDKECOTQQPAO,Fatty acids,Fatty acyls,Fatty alcohols,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],0,1,3.6357128620147705 35554,1283,94,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.76384723,ISDB,CUHJQOVOXFVMSQ-UHFFFAOYSA-N,"InChI=1S/C18H32O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h7,10,13,16-17,19H,2-6,8-9,11-12,14-15H2,1H3,(H,20,21)",CCCCCCCCCC(O)CCCC=CC=CC(=O)O,C18H32O3,,296.235144884,CUHJQOVOXFVMSQ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Taraxacum platycarpum,793946.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Taraxacum'],['Taraxacum platycarpum'],4,3,8.555388927459717 35333,1281,1396,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,RECUKUPTGUEGMW-UHFFFAOYSA-N,"InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-7,11H,1-3H3",Cc1ccc(C(C)C)cc1O,C10H14O,pos_2MH,150.104465068,RECUKUPTGUEGMW,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,1,7.5 35334,1281,1396,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,HKZQJZIFODOLFR-UHFFFAOYSA-N,"InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h6H,4-5H2,1-3H3",CC1=CC(=O)C(=C(C)C)CC1,C10H14O,pos_2MH,150.104465068,HKZQJZIFODOLFR,Terpenoids,Monoterpenoids,,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,1,7.5 35338,1281,1396,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,IPEHJNRNYPOFII-UHFFFAOYSA-N,"InChI=1S/C20H28O2/c1-12(2)13-9-14-15(10-16(13)21)20(5)8-6-7-19(3,4)18(20)11-17(14)22/h9-10,12,18,21H,6-8,11H2,1-5H3",CC(C)c1cc2c(cc1O)C1(C)CCCC(C)(C)C1CC2=O,C20H28O2,pos_1_1proton,300.208930136,IPEHJNRNYPOFII,Terpenoids,Diterpenoids,Abietane diterpenoids,Delphinium cyphoplectrum,309504.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium cyphoplectrum'],6,3,7.5 35332,1280,217,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,AXCXHFKZHDEKTP-UHFFFAOYSA-N,"InChI=1S/C10H10O2/c1-12-10-6-4-9(5-7-10)3-2-8-11/h2-8H,1H3",COc1ccc(C=CC=O)cc1,C10H10O2,pos_1_1proton,162.06807956,AXCXHFKZHDEKTP,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Morina chinensis,68249.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Morina'],['Morina chinensis'],6,1,6.5 35244,1278,-1,,,,0.59658116,ISDB,PMKICGRXBBLLPW-FYPAKXHLSA-N,"InChI=1S/C18H26O3/c1-4-5-6-7-8-9-10-11-12-13-14-16-17(20-3)15(2)21-18(16)19/h1,14,17H,2,5-13H2,3H3/b16-14+/t17-/m1/s1",C#CCCCCCCCCC/C=C1/C(=O)OC(=C)[C@H]1OC,C18H26O3,,290.188194692,PMKICGRXBBLLPW,Polyketides,,,Lindera glauca,157205.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera glauca'],4,0,6.386324644088745 35243,1277,432,Polyketides,Glycerolipids,Glycosyldiacylglycerols,0.36487678,ISDB,LZSACGSEJDYUGC-GTKHNMMUSA-N,"InChI=1S/C53H82O16/c1-31-26-43(66-53(28-31)44(56)14-13-39(65-53)29-50(8,59)49(58)61-30-32(2)25-35(5)41(69-60)18-23-54)33(3)11-12-38-16-21-52(64-38)22-17-42-48(68-52)45(57)37(7)47(63-42)40(55)27-36(6)46-34(4)15-20-51(67-46)19-9-10-24-62-51/h11-12,28,33-34,36,38-48,54-57,59-60H,2,5,7,9-10,13-27,29-30H2,1,3-4,6,8H3/b12-11+/t33-,34-,36+,38+,39+,40+,41+,42-,43+,44-,45-,46+,47+,48-,50-,51+,52-,53-/m1/s1",C=C(COC(=O)[C@](C)(O)C[C@@H]1CC[C@@H](O)[C@]2(C=C(C)C[C@@H]([C@H](C)/C=C/[C@H]3CC[C@@]4(CC[C@H]5O[C@H]([C@@H](O)C[C@H](C)[C@H]6O[C@@]7(CCCCO7)CC[C@H]6C)C(=C)[C@@H](O)[C@@H]5O4)O3)O2)O1)CC(=C)[C@H](CCO)OO,C53H82O16,,974.560286544,LZSACGSEJDYUGC,Polyketides,Polyethers,Polyether ionophores,Prorocentrum lima,5986377.0,['Eukaryota'],['Unknown'],['Ciliophora'],['Colpodea'],['Cyrtolophosidida'],['Unknown'],['Unknown'],['Aristerostoma'],['Prorocentrum lima'],1,1,2.95950710773468 35143,1275,1659,Fatty acids,Octadecanoids,Other Octadecanoids,0.7659935,ISDB,ACHDMUPTZYZIGR-JPAZTHTMSA-N,"InChI=1S/C18H28O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h3-4,6,8,11,14H,2,5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b4-3+,8-6+,14-11+",CC/C=C/C/C=C/C=C/C(=O)CCCCCCCC(=O)O,C18H28O3,,292.203844756,ACHDMUPTZYZIGR,Fatty acids,Octadecanoids,Other Octadecanoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],4,3,8.563973903656006 35144,1275,1659,Fatty acids,Octadecanoids,Other Octadecanoids,0.7659935,ISDB,ACHDMUPTZYZIGR-CUHSZNQNSA-N,"InChI=1S/C18H28O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h3-4,6,8,11,14H,2,5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b4-3-,8-6-,14-11+",CC/C=C\C/C=C\C=C\C(=O)CCCCCCCC(=O)O,C18H28O3,,292.203844756,ACHDMUPTZYZIGR,Fatty acids,Octadecanoids,Other Octadecanoids,Isatis tinctoria,631500.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Isatideae'],['Isatis'],['Isatis tinctoria'],4,3,8.563973903656006 35125,1271,58,Polyketides,Glycerolipids,Glycosyldiacylglycerols,0.47950894,ISDB,NSOPGAYUGBZWHL-YTWBPVBXSA-N,"InChI=1S/C39H64O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,37,40H,3-4,9-10,15-16,21-36H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C39H64O5,,612.475375148,NSOPGAYUGBZWHL,Fatty acids,Glycerolipids,Triacylglycerols,Glycine max,681762.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Glycine max'],4,2,6.9180357456207275 35126,1271,58,Polyketides,Glycerolipids,Glycosyldiacylglycerols,0.47950894,ISDB,NSOPGAYUGBZWHL-UHFFFAOYSA-N,"InChI=1S/C39H64O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,37,40H,3-4,9-10,15-16,21-36H2,1-2H3",CCC=CCC=CCC=CCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCC=CCC=CCC=CCC,C39H64O5,,612.475375148,NSOPGAYUGBZWHL,Fatty acids,Glycerolipids,Triacylglycerols,Halimodendron halodendron,761641.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Caraganeae'],['Halimodendron'],['Halimodendron halodendron'],4,2,6.9180357456207275 35127,1271,58,Polyketides,Glycerolipids,Glycosyldiacylglycerols,0.47950894,ISDB,NSOPGAYUGBZWHL-UHFFFAOYSA-N,"InChI=1S/C39H64O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,37,40H,3-4,9-10,15-16,21-36H2,1-2H3",CCC=CCC=CCC=CCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCC=CCC=CCC=CCC,C39H64O5,,612.475375148,NSOPGAYUGBZWHL,Fatty acids,Glycerolipids,Triacylglycerols,Angelica sinensis,182228.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Selineae'],['Angelica'],['Angelica sinensis'],4,2,6.9180357456207275 35117,1264,201,Terpenoids,Apocarotenoids,Megastigmanes,0.37113228,ISDB,UWWCASOGCPOGJP-BQYQJAHWSA-N,"InChI=1S/C13H18O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h5-8H,9H2,1-4H3/b8-7+",CC(=O)/C=C/C1=C(C)C=CCC1(C)C,C13H18O,,190.135765196,UWWCASOGCPOGJP,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],4,2,6.484529137611389 35080,1262,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.6855127,ISDB,XNJLQKDYYHRSAJ-UHFFFAOYSA-N,"InChI=1S/C16H30O3/c1-2-3-4-6-9-12-15(17)13-10-7-5-8-11-14-16(18)19/h9,12,15,17H,2-8,10-11,13-14H2,1H3,(H,18,19)",CCCCCC=CC(O)CCCCCCCC(=O)O,C16H30O3,,270.21949482,XNJLQKDYYHRSAJ,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Elaeagnus angustifolia,209044.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Elaeagnaceae'],['Unknown'],['Elaeagnus'],['Elaeagnus angustifolia'],4,2,7.742050886154175 35028,1258,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.73130274,ISDB,RZRNAYUHWVFMIP-GDCKJWNLSA-N,"InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9-/t20-/m1/s1",CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](O)CO,C21H40O4,,356.29265975999994,RZRNAYUHWVFMIP,Fatty acids,Glycerolipids,Monoacylglycerols,Panax ginseng,524063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax ginseng'],4,3,8.425210952758789 35029,1258,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.73130274,ISDB,RZRNAYUHWVFMIP-KTKRTIGZSA-N,"InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9-",CCCCCCCC/C=C\CCCCCCCC(=O)OCC(O)CO,C21H40O4,,356.29265975999994,RZRNAYUHWVFMIP,Fatty acids,Glycerolipids,Monoacylglycerols,Saposhnikovia divaricata,737496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Selineae'],['Saposhnikovia'],['Saposhnikovia divaricata'],4,3,8.425210952758789 35030,1258,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.73130274,ISDB,RZRNAYUHWVFMIP-KTKRTIGZSA-N,"InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9-",CCCCCCCC/C=C\CCCCCCCC(=O)OCC(O)CO,C21H40O4,,356.29265975999994,RZRNAYUHWVFMIP,Fatty acids,Glycerolipids,Monoacylglycerols,Nelumbo nucifera,532288.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Proteales'],['Nelumbonaceae'],['Unknown'],['Nelumbo'],['Nelumbo nucifera'],4,3,8.425210952758789 35031,1258,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.73130274,ISDB,RZRNAYUHWVFMIP-KTKRTIGZSA-N,"InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9-",CCCCCCCC/C=C\CCCCCCCC(=O)OCC(O)CO,C21H40O4,,356.29265975999994,RZRNAYUHWVFMIP,Fatty acids,Glycerolipids,Monoacylglycerols,Chamaecrista greggii,3916645.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Chamaecrista'],['Chamaecrista greggii'],4,3,8.425210952758789 35032,1258,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.73130274,ISDB,RZRNAYUHWVFMIP-QJRAZLAKSA-N,"InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9-/t20-/m0/s1",CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)CO,C21H40O4,,356.29265975999994,RZRNAYUHWVFMIP,Fatty acids,Glycerolipids,Monoacylglycerols,Senna tora,1084528.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Senna'],['Senna tora'],4,3,8.425210952758789 35033,1258,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.73130274,ISDB,RZRNAYUHWVFMIP-QJRAZLAKSA-N,"InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9-/t20-/m0/s1",CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)CO,C21H40O4,,356.29265975999994,RZRNAYUHWVFMIP,Fatty acids,Glycerolipids,Monoacylglycerols,Melia azedarach,916052.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Melia'],['Melia azedarach'],4,3,8.425210952758789 35034,1258,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.73130274,ISDB,RZRNAYUHWVFMIP-QJRAZLAKSA-N,"InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9-/t20-/m0/s1",CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)CO,C21H40O4,,356.29265975999994,RZRNAYUHWVFMIP,Fatty acids,Glycerolipids,Monoacylglycerols,Senna obtusifolia,335059.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Senna'],['Senna obtusifolia'],4,3,8.425210952758789 35035,1258,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.73130274,ISDB,RZRNAYUHWVFMIP-UHFFFAOYSA-N,"InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h9-10,20,22-23H,2-8,11-19H2,1H3",CCCCCCCCC=CCCCCCCCC(=O)OCC(O)CO,C21H40O4,,356.29265975999994,RZRNAYUHWVFMIP,Fatty acids,Glycerolipids,Monoacylglycerols,Bauhinia,560314.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Cercideae'],['Bauhinia'],['Unknown'],4,3,8.425210952758789 35036,1258,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.73130274,ISDB,RZRNAYUHWVFMIP-QJRAZLAKSA-N,"InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9-/t20-/m0/s1",CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)CO,C21H40O4,,356.29265975999994,RZRNAYUHWVFMIP,Fatty acids,Glycerolipids,Monoacylglycerols,Oryza sativa,709894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza sativa'],4,3,8.425210952758789 35037,1258,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.73130274,ISDB,RZRNAYUHWVFMIP-QJRAZLAKSA-N,"InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9-/t20-/m0/s1",CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)CO,C21H40O4,,356.29265975999994,RZRNAYUHWVFMIP,Fatty acids,Glycerolipids,Monoacylglycerols,Perilla frutescens,295678.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Elsholtzieae'],['Perilla'],['Perilla frutescens'],4,3,8.425210952758789 35038,1258,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.73130274,ISDB,RZRNAYUHWVFMIP-SQUSKLHYSA-N,"InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9+/t20-/m1/s1",CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@H](O)CO,C21H40O4,,356.29265975999994,RZRNAYUHWVFMIP,Fatty acids,Glycerolipids,Monoacylglycerols,Bauhinia purpurea,560318.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Cercideae'],['Bauhinia'],['Bauhinia purpurea'],4,3,8.425210952758789 35025,1257,1593,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,0.0,MS1_match,WEKCEGQSIIQPAQ-UHFFFAOYSA-N,"InChI=1S/C28H36O13/c1-34-16-5-12(6-17(35-2)21(16)30)25-14-10-39-26(15(14)11-38-25)13-7-18(36-3)27(19(8-13)37-4)41-28-24(33)23(32)22(31)20(9-29)40-28/h5-8,14-15,20,22-26,28-33H,9-11H2,1-4H3",COc1cc(C2OCC3C(c4cc(OC)c(OC5OC(CO)C(O)C(O)C5O)c(OC)c4)OCC23)cc(OC)c1O,C28H36O13,pos_1_sodium,580.215591212,WEKCEGQSIIQPAQ,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Clematis delavayi,72769.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis delavayi'],8,3,9.5 35026,1257,1593,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,0.0,MS1_match,WEKCEGQSIIQPAQ-UHFFFAOYSA-N,"InChI=1S/C28H36O13/c1-34-16-5-12(6-17(35-2)21(16)30)25-14-10-39-26(15(14)11-38-25)13-7-18(36-3)27(19(8-13)37-4)41-28-24(33)23(32)22(31)20(9-29)40-28/h5-8,14-15,20,22-26,28-33H,9-11H2,1-4H3",COc1cc(C2OCC3C(c4cc(OC)c(OC5OC(CO)C(O)C(O)C5O)c(OC)c4)OCC23)cc(OC)c1O,C28H36O13,pos_1_sodium,580.215591212,WEKCEGQSIIQPAQ,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Clematis delavayi,72769.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis delavayi'],8,3,9.5 35027,1257,1593,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,0.0,MS1_match,WEKCEGQSIIQPAQ-UHFFFAOYSA-N,"InChI=1S/C28H36O13/c1-34-16-5-12(6-17(35-2)21(16)30)25-14-10-39-26(15(14)11-38-25)13-7-18(36-3)27(19(8-13)37-4)41-28-24(33)23(32)22(31)20(9-29)40-28/h5-8,14-15,20,22-26,28-33H,9-11H2,1-4H3",COc1cc(C2OCC3C(c4cc(OC)c(OC5OC(CO)C(O)C(O)C5O)c(OC)c4)OCC23)cc(OC)c1O,C28H36O13,pos_1_sodium,580.215591212,WEKCEGQSIIQPAQ,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Clematis delavayi,72769.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis delavayi'],8,3,9.5 35018,1256,641,Alkaloids,Tryptophan alkaloids,3-Spirotetramic acids,0.3207787,ISDB,FFIHXENRVXVAGQ-UVLSWTAMSA-N,"InChI=1S/C14H19NO6/c1-4-5-8-6-7-9(16)10(17)14(8)11(18)13(2,20)15(21-3)12(14)19/h5-7,10-11,17-18,20H,4H2,1-3H3/b8-5-/t10-,11+,13-,14-/m1/s1",CC/C=C1/C=CC(=O)[C@@H](O)[C@]12C(=O)N(OC)[C@](C)(O)[C@@H]2O,C14H19NO6,,297.121237328,FFIHXENRVXVAGQ,Amino acids and Peptides,Cyclic polyketides,3-Spirotetramic acids,Curvularia pallescens,868065.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Dothideomycetes'],['Pleosporales'],['Pleosporaceae'],['Unknown'],['Cochliobolus'],['Pseudocochliobolus pallescens'],1,3,3.783114790916443 35019,1256,641,Alkaloids,Tryptophan alkaloids,3-Spirotetramic acids,0.3207787,ISDB,FFIHXENRVXVAGQ-UVLSWTAMSA-N,"InChI=1S/C14H19NO6/c1-4-5-8-6-7-9(16)10(17)14(8)11(18)13(2,20)15(21-3)12(14)19/h5-7,10-11,17-18,20H,4H2,1-3H3/b8-5-/t10-,11+,13-,14-/m1/s1",CC/C=C1/C=CC(=O)[C@@H](O)[C@]12C(=O)N(OC)[C@](C)(O)[C@@H]2O,C14H19NO6,,297.121237328,FFIHXENRVXVAGQ,Amino acids and Peptides,Cyclic polyketides,3-Spirotetramic acids,Staphylotrichum coccosporum,630050.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Sordariales'],['Chaetomiaceae'],['Unknown'],['Staphylotrichum'],['Staphylotrichum coccosporum'],1,3,3.783114790916443 35020,1256,641,Alkaloids,Tryptophan alkaloids,3-Spirotetramic acids,0.3207787,ISDB,FFIHXENRVXVAGQ-KZZKGCKGSA-N,"InChI=1S/C14H19NO6/c1-4-5-8-6-7-9(16)10(17)14(8)11(18)13(2,20)15(21-3)12(14)19/h5-7,10-11,17-18,20H,4H2,1-3H3/b8-5-/t10-,11-,13+,14+/m0/s1",CC/C=C1/C=CC(=O)[C@H](O)[C@]12C(=O)N(OC)[C@](C)(O)[C@@H]2O,C14H19NO6,,297.121237328,FFIHXENRVXVAGQ,Amino acids and Peptides,Cyclic polyketides,3-Spirotetramic acids,Drechslera,432344.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Dothideomycetes'],['Pleosporales'],['Pleosporaceae'],['Unknown'],['Drechslera'],['Unknown'],1,3,3.783114790916443 35021,1256,641,Alkaloids,Tryptophan alkaloids,3-Spirotetramic acids,0.3207787,ISDB,FFIHXENRVXVAGQ-KZZKGCKGSA-N,"InChI=1S/C14H19NO6/c1-4-5-8-6-7-9(16)10(17)14(8)11(18)13(2,20)15(21-3)12(14)19/h5-7,10-11,17-18,20H,4H2,1-3H3/b8-5-/t10-,11-,13+,14+/m0/s1",CC/C=C1/C=CC(=O)[C@H](O)[C@]12C(=O)N(OC)[C@](C)(O)[C@@H]2O,C14H19NO6,,297.121237328,FFIHXENRVXVAGQ,Amino acids and Peptides,Cyclic polyketides,3-Spirotetramic acids,Pyrenophora tritici-repentis,85506.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Dothideomycetes'],['Pleosporales'],['Pleosporaceae'],['Unknown'],['Pyrenophora'],['Pyrenophora tritici-repentis'],1,3,3.783114790916443 35006,1255,-1,,,,0.0,MS1_match,DRSUFQXLYTXQGX-GKRDPSGZSA-N,"InChI=1S/C35H40O11/c1-20-17-27(42-21(2)36)30(44-23(4)38)34(19-41-31(39)24-13-9-7-10-14-24)28(45-32(40)25-15-11-8-12-16-25)18-26-29(43-22(3)37)35(20,34)46-33(26,5)6/h7-16,20,26-30H,17-19H2,1-6H3/t20-,26+,27+,28+,29+,30+,34+,35+/m0/s1",CC(=O)O[C@@H]1[C@H](OC(C)=O)C[C@H](C)[C@]23OC(C)(C)[C@H](C[C@@H](OC(=O)c4ccccc4)[C@]12COC(=O)c1ccccc1)[C@H]3OC(C)=O,C35H40O11,pos_1_sodium,636.2570621,DRSUFQXLYTXQGX,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Microtropis fokienensis,1015845.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Microtropis'],['Microtropis fokienensis'],6,0,6.0 35007,1255,-1,,,,0.0,MS1_match,DRSUFQXLYTXQGX-HDWLWNEUSA-N,"InChI=1S/C35H40O11/c1-20-17-27(42-21(2)36)30(44-23(4)38)34(19-41-31(39)24-13-9-7-10-14-24)28(45-32(40)25-15-11-8-12-16-25)18-26-29(43-22(3)37)35(20,34)46-33(26,5)6/h7-16,20,26-30H,17-19H2,1-6H3/t20-,26-,27+,28+,29-,30+,34-,35-/m1/s1",CC(=O)O[C@H]1C[C@@H](C)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)c4ccccc4)[C@]2(COC(=O)c2ccccc2)[C@H]1OC(C)=O)[C@H]3OC(C)=O,C35H40O11,pos_1_sodium,636.2570620999999,DRSUFQXLYTXQGX,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Microtropis japonica,828316.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Microtropis'],['Microtropis japonica'],6,0,6.0 35008,1255,-1,,,,0.0,MS1_match,DRSUFQXLYTXQGX-HDWLWNEUSA-N,"InChI=1S/C35H40O11/c1-20-17-27(42-21(2)36)30(44-23(4)38)34(19-41-31(39)24-13-9-7-10-14-24)28(45-32(40)25-15-11-8-12-16-25)18-26-29(43-22(3)37)35(20,34)46-33(26,5)6/h7-16,20,26-30H,17-19H2,1-6H3/t20-,26-,27+,28+,29-,30+,34-,35-/m1/s1",CC(=O)O[C@H]1C[C@@H](C)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)c4ccccc4)[C@]2(COC(=O)c2ccccc2)[C@H]1OC(C)=O)[C@H]3OC(C)=O,C35H40O11,pos_1_sodium,636.2570620999999,DRSUFQXLYTXQGX,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Elaeodendron buchananii,6092546.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Elaeodendron'],['Elaeodendron buchananii'],6,0,6.0 35009,1255,-1,,,,0.0,MS1_match,DRSUFQXLYTXQGX-GKRDPSGZSA-N,"InChI=1S/C35H40O11/c1-20-17-27(42-21(2)36)30(44-23(4)38)34(19-41-31(39)24-13-9-7-10-14-24)28(45-32(40)25-15-11-8-12-16-25)18-26-29(43-22(3)37)35(20,34)46-33(26,5)6/h7-16,20,26-30H,17-19H2,1-6H3/t20-,26+,27+,28+,29+,30+,34+,35+/m0/s1",CC(=O)O[C@@H]1[C@H](OC(C)=O)C[C@H](C)[C@]23OC(C)(C)[C@H](C[C@@H](OC(=O)c4ccccc4)[C@]12COC(=O)c1ccccc1)[C@H]3OC(C)=O,C35H40O11,pos_1_sodium,636.2570621,DRSUFQXLYTXQGX,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Microtropis fokienensis,1015845.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Microtropis'],['Microtropis fokienensis'],6,0,6.0 35010,1255,-1,,,,0.0,MS1_match,DRSUFQXLYTXQGX-HDWLWNEUSA-N,"InChI=1S/C35H40O11/c1-20-17-27(42-21(2)36)30(44-23(4)38)34(19-41-31(39)24-13-9-7-10-14-24)28(45-32(40)25-15-11-8-12-16-25)18-26-29(43-22(3)37)35(20,34)46-33(26,5)6/h7-16,20,26-30H,17-19H2,1-6H3/t20-,26-,27+,28+,29-,30+,34-,35-/m1/s1",CC(=O)O[C@H]1C[C@@H](C)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)c4ccccc4)[C@]2(COC(=O)c2ccccc2)[C@H]1OC(C)=O)[C@H]3OC(C)=O,C35H40O11,pos_1_sodium,636.2570620999999,DRSUFQXLYTXQGX,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Microtropis japonica,828316.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Microtropis'],['Microtropis japonica'],6,0,6.0 35011,1255,-1,,,,0.0,MS1_match,DRSUFQXLYTXQGX-HDWLWNEUSA-N,"InChI=1S/C35H40O11/c1-20-17-27(42-21(2)36)30(44-23(4)38)34(19-41-31(39)24-13-9-7-10-14-24)28(45-32(40)25-15-11-8-12-16-25)18-26-29(43-22(3)37)35(20,34)46-33(26,5)6/h7-16,20,26-30H,17-19H2,1-6H3/t20-,26-,27+,28+,29-,30+,34-,35-/m1/s1",CC(=O)O[C@H]1C[C@@H](C)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)c4ccccc4)[C@]2(COC(=O)c2ccccc2)[C@H]1OC(C)=O)[C@H]3OC(C)=O,C35H40O11,pos_1_sodium,636.2570620999999,DRSUFQXLYTXQGX,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Elaeodendron buchananii,6092546.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Elaeodendron'],['Elaeodendron buchananii'],6,0,6.0 35012,1255,-1,,,,0.0,MS1_match,NDGSLRUFUIEVLM-HDWLWNEUSA-N,"InChI=1S/C35H40O11/c1-20-17-27(44-31(39)24-13-9-7-10-14-24)30(43-23(4)38)34(19-41-21(2)36)28(45-32(40)25-15-11-8-12-16-25)18-26-29(42-22(3)37)35(20,34)46-33(26,5)6/h7-16,20,26-30H,17-19H2,1-6H3/t20-,26-,27+,28+,29-,30+,34-,35-/m1/s1",CC(=O)OC[C@]12[C@@H](OC(=O)c3ccccc3)C[C@@H]3[C@@H](OC(C)=O)[C@]1(OC3(C)C)[C@H](C)C[C@H](OC(=O)c1ccccc1)[C@@H]2OC(C)=O,C35H40O11,pos_1_sodium,636.2570620999999,NDGSLRUFUIEVLM,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Celastrus orbiculatus,56757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Celastrus'],['Celastrus orbiculatus'],6,0,6.0 35013,1255,-1,,,,0.0,MS1_match,TXFGQQCHKBHRQF-UJWWHINYSA-N,"InChI=1S/C35H40O11/c1-20(36)42-27-28(39)34(6,41)35-29(43-21(2)37)24(32(3,4)46-35)19-25(44-26(38)18-17-22-13-9-7-10-14-22)33(35,5)30(27)45-31(40)23-15-11-8-12-16-23/h7-18,24-25,27-30,39,41H,19H2,1-6H3/b18-17+/t24-,25+,27-,28+,29-,30+,33-,34+,35-/m1/s1",CC(=O)O[C@H]1[C@H](OC(=O)c2ccccc2)[C@@]2(C)[C@@H](OC(=O)/C=C/c3ccccc3)C[C@@H]3[C@@H](OC(C)=O)[C@]2(OC3(C)C)[C@@](C)(O)[C@H]1O,C35H40O11,pos_1_sodium,636.2570621,TXFGQQCHKBHRQF,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Maytenus jelskii,6092967.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Maytenus'],['Maytenus jelskii'],6,0,6.0 35014,1255,-1,,,,0.0,MS1_match,RKQBXPZSTLHXPR-XFOFPURASA-N,"InChI=1S/C35H40O11/c1-20(36)42-24-19-33(5,41)35-28(39)26(32(3,4)46-35)27(44-25(38)18-17-22-13-9-7-10-14-22)30(34(35,6)29(24)43-21(2)37)45-31(40)23-15-11-8-12-16-23/h7-18,24,26-30,39,41H,19H2,1-6H3/b18-17+/t24-,26+,27-,28+,29-,30-,33-,34-,35-/m0/s1",CC(=O)O[C@H]1C[C@](C)(O)[C@]23OC(C)(C)[C@H]([C@H](OC(=O)/C=C/c4ccccc4)[C@H](OC(=O)c4ccccc4)[C@]2(C)[C@H]1OC(C)=O)[C@H]3O,C35H40O11,pos_1_sodium,636.2570621,RKQBXPZSTLHXPR,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Celastrus vulcanicola,458835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Celastrus'],['Celastrus vulcanicola'],6,0,6.0 35015,1255,-1,,,,0.0,MS1_match,RKQBXPZSTLHXPR-XFOFPURASA-N,"InChI=1S/C35H40O11/c1-20(36)42-24-19-33(5,41)35-28(39)26(32(3,4)46-35)27(44-25(38)18-17-22-13-9-7-10-14-22)30(34(35,6)29(24)43-21(2)37)45-31(40)23-15-11-8-12-16-23/h7-18,24,26-30,39,41H,19H2,1-6H3/b18-17+/t24-,26+,27-,28+,29-,30-,33-,34-,35-/m0/s1",CC(=O)O[C@H]1C[C@](C)(O)[C@]23OC(C)(C)[C@H]([C@H](OC(=O)/C=C/c4ccccc4)[C@H](OC(=O)c4ccccc4)[C@]2(C)[C@H]1OC(C)=O)[C@H]3O,C35H40O11,pos_1_sodium,636.2570621,RKQBXPZSTLHXPR,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Celastrus vulcanicolus,458835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Celastrus'],['Celastrus vulcanicola'],6,0,6.0 35016,1255,-1,,,,0.0,MS1_match,NNIHOVDDAZGURH-ZAKGOMEISA-N,"InChI=1S/C35H40O11/c1-20(36)42-27-29(45-31(40)23-15-11-8-12-16-23)33(5)25(44-26(38)18-17-22-13-9-7-10-14-22)19-24-28(39)35(33,46-32(24,3)4)34(6,41)30(27)43-21(2)37/h7-18,24-25,27-30,39,41H,19H2,1-6H3/b18-17+/t24-,25+,27+,28-,29+,30+,33-,34+,35-/m1/s1",CC(=O)O[C@H]1[C@H](OC(=O)c2ccccc2)[C@@]2(C)[C@@H](OC(=O)/C=C/c3ccccc3)C[C@@H]3[C@@H](O)[C@]2(OC3(C)C)[C@@](C)(O)[C@H]1OC(C)=O,C35H40O11,pos_1_sodium,636.2570621,NNIHOVDDAZGURH,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Maytenus jelskii,6092967.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Maytenus'],['Maytenus jelskii'],6,0,6.0 35017,1255,-1,,,,0.0,MS1_match,CFCWERMAAXCFKA-OWYAAZHBSA-N,"InChI=1S/C35H40O11/c1-22(36)42-21-34-27(44-23(2)37)17-18-33(4,41)35(34)30(39)26(19-28(34)45-29(38)16-15-24-11-7-5-8-12-24)32(3,46-35)20-43-31(40)25-13-9-6-10-14-25/h5-16,26-28,30,39,41H,17-21H2,1-4H3/b16-15+/t26-,27+,28+,30-,32?,33+,34+,35+/m1/s1",CC(=O)OC[C@@]12[C@@H](OC(C)=O)CC[C@](C)(O)[C@]13OC(C)(COC(=O)c1ccccc1)[C@H](C[C@@H]2OC(=O)/C=C/c1ccccc1)[C@H]3O,C35H40O11,pos_1_sodium,636.2570621,CFCWERMAAXCFKA,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Denhamia celastroides,806623.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Denhamia'],['Denhamia celastroides'],6,0,6.0 35002,1254,7,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.3708003,ISDB,ISNRCAHXJCTBAV-RMEWEKGHSA-N,"InChI=1S/C22H30O/c1-14-8-9-16-19(14)20-17(21(20,2)3)11-13-22(16)12-10-15-6-4-5-7-18(15)23-22/h4-7,14,16-17,19-20H,8-13H2,1-3H3/t14-,16+,17-,19-,20-,22+/m1/s1",C[C@@H]1CC[C@H]2[C@@H]1[C@H]1[C@@H](CC[C@@]23CCc2ccccc2O3)C1(C)C,C22H30O,,310.22966558,ISNRCAHXJCTBAV,Terpenoids,Diterpenoids,,Uvaria tanzaniae,3867912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Uvarieae'],['Uvaria'],['Uvaria tanzaniae'],4,1,5.9832011461257935 34997,1252,199,Terpenoids,Diterpenoids,Guaiane sesquiterpenoids,0.54134244,ISDB,,,,,,,SIYNRPHDAIDUJN,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.165369749069214 34983,1251,94,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.48628646,ISDB,MPSGDHOYFIUPSO-MDAKJLGTSA-N,"InChI=1S/C33H56O14/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(36)43-19-22(35)20-44-32-31(42)29(40)27(38)24(47-32)21-45-33-30(41)28(39)26(37)23(18-34)46-33/h3-4,6-7,9-10,22-24,26-35,37-42H,2,5,8,11-21H2,1H3/b4-3-,7-6-,10-9-/t22-,23-,24-,26+,27+,28+,29+,30-,31-,32-,33+/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C33H56O14,,676.367006472,MPSGDHOYFIUPSO,Fatty acids,Glycerolipids,Glycosylmonoacylglycerols,Guapira graciliflora,6038299.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Nyctaginaceae'],['Unknown'],['Guapira'],['Guapira graciliflora'],4,1,6.445145845413208 34984,1251,94,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.48628646,ISDB,MPSGDHOYFIUPSO-MDAKJLGTSA-N,"InChI=1S/C33H56O14/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(36)43-19-22(35)20-44-32-31(42)29(40)27(38)24(47-32)21-45-33-30(41)28(39)26(37)23(18-34)46-33/h3-4,6-7,9-10,22-24,26-35,37-42H,2,5,8,11-21H2,1H3/b4-3-,7-6-,10-9-/t22-,23-,24-,26+,27+,28+,29+,30-,31-,32-,33+/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C33H56O14,,676.367006472,MPSGDHOYFIUPSO,Fatty acids,Glycerolipids,Glycosylmonoacylglycerols,Zingiber officinale,1063866.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Zingiber'],['Zingiber officinale'],4,1,6.445145845413208 34985,1251,94,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.48628646,ISDB,MPSGDHOYFIUPSO-MDAKJLGTSA-N,"InChI=1S/C33H56O14/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(36)43-19-22(35)20-44-32-31(42)29(40)27(38)24(47-32)21-45-33-30(41)28(39)26(37)23(18-34)46-33/h3-4,6-7,9-10,22-24,26-35,37-42H,2,5,8,11-21H2,1H3/b4-3-,7-6-,10-9-/t22-,23-,24-,26+,27+,28+,29+,30-,31-,32-,33+/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C33H56O14,,676.367006472,MPSGDHOYFIUPSO,Fatty acids,Glycerolipids,Glycosylmonoacylglycerols,Sonchus arvensis,761934.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Sonchus'],['Sonchus arvensis'],4,1,6.445145845413208 34986,1251,94,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.48628646,ISDB,MPSGDHOYFIUPSO-MDAKJLGTSA-N,"InChI=1S/C33H56O14/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(36)43-19-22(35)20-44-32-31(42)29(40)27(38)24(47-32)21-45-33-30(41)28(39)26(37)23(18-34)46-33/h3-4,6-7,9-10,22-24,26-35,37-42H,2,5,8,11-21H2,1H3/b4-3-,7-6-,10-9-/t22-,23-,24-,26+,27+,28+,29+,30-,31-,32-,33+/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C33H56O14,,676.367006472,MPSGDHOYFIUPSO,Fatty acids,Glycerolipids,Glycosylmonoacylglycerols,Sonchus mauritanicus,572923.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Sonchus'],['Sonchus mauritanicus'],4,1,6.445145845413208 34987,1251,94,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.48628646,ISDB,MPSGDHOYFIUPSO-MDAKJLGTSA-N,"InChI=1S/C33H56O14/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(36)43-19-22(35)20-44-32-31(42)29(40)27(38)24(47-32)21-45-33-30(41)28(39)26(37)23(18-34)46-33/h3-4,6-7,9-10,22-24,26-35,37-42H,2,5,8,11-21H2,1H3/b4-3-,7-6-,10-9-/t22-,23-,24-,26+,27+,28+,29+,30-,31-,32-,33+/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C33H56O14,,676.367006472,MPSGDHOYFIUPSO,Fatty acids,Glycerolipids,Glycosylmonoacylglycerols,Premna microphylla,503286.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Premna'],['Premna microphylla'],4,1,6.445145845413208 34943,1249,7,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.45608252,ISDB,HQQUWEPSOVTLND-OTEXYFMMSA-N,"InChI=1S/C27H36O4/c1-20(11-7-8-12-21(2)14-10-16-28)13-9-15-22(3)24(30)19-27-25(4,5)17-23(29)18-26(27,6)31-27/h7-16,23,29H,17-19H2,1-6H3/b8-7+,13-9+,14-10+,20-11+,21-12+,22-15+/t23-,26-,27-/m0/s1",CC(/C=C/C=O)=C\C=C\C=C(C)\C=C\C=C(/C)C(=O)C[C@@]12O[C@@]1(C)C[C@@H](O)CC2(C)C,C27H36O4,,424.261359632,HQQUWEPSOVTLND,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Phaeodactylum tricornutum,529438.0,['Eukaryota'],['Unknown'],['Bacillariophyta'],['Bacillariophyceae'],['Unknown'],['Unknown'],['Unknown'],['Phaeodactylum'],['Phaeodactylum tricornutum'],0,1,2.3243300914764404 34939,1248,1166,Terpenoids,Sesquiterpenoids,Noreremophilane sesquiterpenoids,0.22839613,ISDB,UGDVDUDNGSZKIS-HRVVTOCWSA-N,"InChI=1S/C29H38O3/c1-16-9-7-11-21-13-25-27(18(3)26(16)21)19(4)28(32-25)31-24-14-22-12-8-10-17(2)29(22,6)15-23(24)20(5)30/h13,16-17,22H,7-12,14-15H2,1-6H3/t16-,17-,22+,29+/m0/s1",CC(=O)C1=C(Oc2oc3cc4c(c(C)c3c2C)[C@@H](C)CCC4)C[C@H]2CCC[C@H](C)[C@@]2(C)C1,C29H38O3,,434.282095076,UGDVDUDNGSZKIS,Terpenoids,Sesquiterpenoids,Noreremophilane sesquiterpenoids,Ligularia muliensis,7051955.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Ligularia'],['Ligularia muliensis'],4,3,6.413584530353546 34937,1245,1152,Fatty acids,Fatty esters,Wax monoesters,0.0,MS1_match,SNXPWYFWAZVIAU-UHFFFAOYSA-N,"InChI=1S/C22H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24-4-2/h8-9,11-12,14-15,17-18H,3-7,10,13,16,19-21H2,1-2H3",CCCCCC=CCC=CCC=CCC=CCCCC(=O)OCC,C22H36O2,pos_2_2proton,332.271530392,SNXPWYFWAZVIAU,Fatty acids,Fatty esters,Wax monoesters,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,3,7.5 34928,1242,153,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.25006366,ISDB,MQFAJBBHEYTHKF-BIIVOSGPSA-N,"InChI=1S/C11H14O6/c1-6-8(4-12)7(3-10(13)14)9(5-17-6)11(15)16-2/h4-8H,3H2,1-2H3,(H,13,14)/t6-,7-,8+/m0/s1",COC(=O)C1=CO[C@@H](C)[C@@H](C=O)[C@@H]1CC(=O)O,C11H14O6,,242.079038168,MQFAJBBHEYTHKF,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Olea europaea,23729.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Oleaceae'],['Oleeae'],['Olea'],['Olea europaea'],4,3,6.5002546310424805 34833,1241,7,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.6432308,ISDB,UQTDTFGCPOVWBK-CSXWMVMESA-N,"InChI=1S/C22H30O3/c1-18(2)15-12-16(23)20(4)14(19(15,3)10-7-17(24)25-18)6-11-21-8-5-9-22(20,21)13-21/h7,10,14-15H,5-6,8-9,11-13H2,1-4H3/t14-,15+,19-,20+,21-,22-/m1/s1",CC1(C)OC(=O)C=C[C@]2(C)[C@H]3CC[C@@]45CCC[C@@]4(C5)[C@]3(C)C(=O)C[C@@H]12,C22H30O3,,342.21949482,UQTDTFGCPOVWBK,Terpenoids,Triterpenoids,Cycloapotirucallane triterpenoids,Simarouba amara,452697.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Simaroubaceae'],['Unknown'],['Simarouba'],['Simarouba amara'],4,1,7.072923183441162 34822,1240,-1,,,,0.57140225,ISDB,GNZWXNKZMHJXNU-UHFFFAOYSA-N,"InChI=1S/C7H11NO/c1-6(9)7-4-2-3-5-8-7/h2-5H2,1H3",CC(=O)C1=NCCCC1,C7H11NO,,125.084063972,GNZWXNKZMHJXNU,Alkaloids,,,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],4,0,6.285609006881714 34819,1239,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XRIDGQVLGQMCMX-OLEFQQMKSA-N,"InChI=1S/C15H16O7/c1-20-12-6-9(2-4-10(12)16)3-5-14(18)21-8-13-11(17)7-15(19)22-13/h2-6,11,13,16-17H,7-8H2,1H3/b5-3+/t11-,13+/m0/s1",COc1cc(/C=C/C(=O)OC[C@H]2OC(=O)C[C@@H]2O)ccc1O,C15H16O7,pos_1_1proton,308.089602852,XRIDGQVLGQMCMX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis terniflora var. mandshurica,446556.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis terniflora'],8,3,9.5 34797,1234,62,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.42485252,ISDB,GPIJMIWHLZJMMT-SJPVLFDFSA-N,"InChI=1S/C11H18O9/c12-2-5-4(1-7(14)18-5)19-11-10(17)9(16)8(15)6(3-13)20-11/h4-6,8-13,15-17H,1-3H2/t4-,5+,6+,8+,9-,10+,11+/m0/s1",O=C1C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](CO)O1,C11H18O9,,294.095082156,GPIJMIWHLZJMMT,,,,Clematis hexapetala,226633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis hexapetala'],8,0,9.699410080909729 34792,1233,1,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,QNDLGCSMZUBKMI-ASTYLPHCSA-N,"InChI=1S/C26H34O12/c1-14(27)32-11-17-12-33-23(36-21(31)10-25(6,7)38-16(3)29)22-18(17)8-19(26(22)13-34-26)35-20(30)9-24(4,5)37-15(2)28/h8,12,19,22-23H,9-11,13H2,1-7H3/t19-,22+,23-,26+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)(C)OC(C)=O)[C@H]2C1=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1,C26H34O12,pos_1_1proton1ammonium,538.205026528,QNDLGCSMZUBKMI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana pulvinata,7625148.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana pulvinata'],6,3,7.5 34787,1232,-1,,,,0.33418226,ISDB,,,,,,,RSGRICGNCQRUJG,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.3367290496826172 34786,1231,15,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,0.0,MS1_match,KENJGROHBQKVPH-ODZPGRJLSA-N,"InChI=1S/C21H31NO5/c1-3-22-9-19(2)6-5-12(23)21-11-8-10-4-7-20(26,13(11)18(25)27-10)14(17(21)22)15(24)16(19)21/h10-17,23-24,26H,3-9H2,1-2H3/t10-,11-,12+,13-,14+,15-,16-,17-,19+,20-,21+/m1/s1",CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6CC[C@](O)([C@@H]([C@@H](O)[C@H]23)[C@@H]14)[C@H]5C(=O)O6,C21H31NO5,pos_2MHNH3,377.220223092,KENJGROHBQKVPH,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum heterophyllum,124446.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum heterophyllum'],6,0,6.0 34785,1229,659,,,,0.2351732,ISDB,,,,,,,IGXTWIXUKNUILL,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.9406927824020386 34779,1228,-1,,,,0.0,MS1_match,YWNUNVSMOKMJMG-LJAQVGFWSA-N,"InChI=1S/C38H40N2O7/c1-40-16-14-26-34-29(40)18-23-9-12-30(41-2)32(19-23)46-25-10-7-22(8-11-25)17-28-27-21-33(31(42-3)20-24(27)13-15-39-28)47-36(34)38(45-6)37(44-5)35(26)43-4/h7-12,19-21,29H,13-18H2,1-6H3/t29-/m0/s1",COc1ccc2cc1Oc1ccc(cc1)CC1=NCCc3cc(OC)c(cc31)Oc1c(OC)c(OC)c(OC)c3c1[C@H](C2)N(C)CC3,C38H40N2O7,pos_2_1proton1sodium,636.28355162,YWNUNVSMOKMJMG,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Thalictrum simplex,243507.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum simplex'],6,0,6.0 34780,1228,-1,,,,0.0,MS1_match,YWNUNVSMOKMJMG-UHFFFAOYSA-N,"InChI=1S/C38H40N2O7/c1-40-16-14-26-34-29(40)18-23-9-12-30(41-2)32(19-23)46-25-10-7-22(8-11-25)17-28-27-21-33(31(42-3)20-24(27)13-15-39-28)47-36(34)38(45-6)37(44-5)35(26)43-4/h7-12,19-21,29H,13-18H2,1-6H3",COc1ccc2cc1Oc1ccc(cc1)CC1=NCCc3cc(OC)c(cc31)Oc1c(OC)c(OC)c(OC)c3c1C(C2)N(C)CC3,C38H40N2O7,pos_2_1proton1sodium,636.28355162,YWNUNVSMOKMJMG,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Thalictrum dasycarpum,421841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum dasycarpum'],6,0,6.0 34781,1228,-1,,,,0.0,MS1_match,YWNUNVSMOKMJMG-UHFFFAOYSA-N,"InChI=1S/C38H40N2O7/c1-40-16-14-26-34-29(40)18-23-9-12-30(41-2)32(19-23)46-25-10-7-22(8-11-25)17-28-27-21-33(31(42-3)20-24(27)13-15-39-28)47-36(34)38(45-6)37(44-5)35(26)43-4/h7-12,19-21,29H,13-18H2,1-6H3",COc1ccc2cc1Oc1ccc(cc1)CC1=NCCc3cc(OC)c(cc31)Oc1c(OC)c(OC)c(OC)c3c1C(C2)N(C)CC3,C38H40N2O7,pos_2_1proton1sodium,636.28355162,YWNUNVSMOKMJMG,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Thalictrum lucidum,977702.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum lucidum'],6,0,6.0 34782,1228,-1,,,,0.0,MS1_match,YWNUNVSMOKMJMG-UHFFFAOYSA-N,"InChI=1S/C38H40N2O7/c1-40-16-14-26-34-29(40)18-23-9-12-30(41-2)32(19-23)46-25-10-7-22(8-11-25)17-28-27-21-33(31(42-3)20-24(27)13-15-39-28)47-36(34)38(45-6)37(44-5)35(26)43-4/h7-12,19-21,29H,13-18H2,1-6H3",COc1ccc2cc1Oc1ccc(cc1)CC1=NCCc3cc(OC)c(cc31)Oc1c(OC)c(OC)c(OC)c3c1C(C2)N(C)CC3,C38H40N2O7,pos_2_1proton1sodium,636.28355162,YWNUNVSMOKMJMG,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Thalictrum rugosum,421841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum dasycarpum'],6,0,6.0 34783,1228,-1,,,,0.0,MS1_match,YWNUNVSMOKMJMG-UHFFFAOYSA-N,"InChI=1S/C38H40N2O7/c1-40-16-14-26-34-29(40)18-23-9-12-30(41-2)32(19-23)46-25-10-7-22(8-11-25)17-28-27-21-33(31(42-3)20-24(27)13-15-39-28)47-36(34)38(45-6)37(44-5)35(26)43-4/h7-12,19-21,29H,13-18H2,1-6H3",COc1ccc2cc1Oc1ccc(cc1)CC1=NCCc3cc(OC)c(cc31)Oc1c(OC)c(OC)c(OC)c3c1C(C2)N(C)CC3,C38H40N2O7,pos_2_1proton1sodium,636.28355162,YWNUNVSMOKMJMG,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Thalictrum foliolosum,124406.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum foliolosum'],6,0,6.0 34784,1228,-1,,,,0.0,MS1_match,MWGNKNYAZMCDHD-VMPREFPWSA-N,"InChI=1S/C38H40N2O7/c1-39-12-10-22-16-30(42-2)33-19-27(22)28(39)14-21-6-8-25(9-7-21)46-32-17-23-15-29-34-26(11-13-40(29)20-24(23)18-31(32)43-3)35(41)37(44-4)38(45-5)36(34)47-33/h6-9,16-19,28-29,41H,10-15,20H2,1-5H3/t28-,29-/m0/s1",COc1cc2c3cc1Oc1ccc(cc1)C[C@H]1c4cc(c(OC)cc4CCN1C)Oc1c(OC)c(OC)c(O)c4c1[C@H](C3)N(CC4)C2,C38H40N2O7,pos_2_1proton1sodium,636.28355162,MWGNKNYAZMCDHD,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Thalictrum longistylum,6133329.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum longistylum'],6,0,6.0 34768,1227,7,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.5890906,ISDB,OMHJQGZJZUFMMT-AJHRVBBASA-N,"InChI=1S/C27H34O3/c28-19-11-8-17(9-12-19)6-4-2-1-3-5-7-20-21-14-15-22-23(27(29)30)13-10-18-16-24(20)26(21)25(18)22/h8-15,18,20-26,28H,1-7,16H2,(H,29,30)/t18-,20-,21-,22+,23-,24+,25-,26-/m1/s1",O=C(O)[C@@H]1C=C[C@@H]2C[C@H]3[C@H](CCCCCCCc4ccc(O)cc4)[C@H]4C=C[C@@H]1[C@@H]2[C@H]43,C27H34O3,,406.250794948,OMHJQGZJZUFMMT,,,,Beilschmiedia ferruginea,6025446.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Beilschmiedia'],['Beilschmiedia ferruginea'],0,0,2.3563623428344727 34742,1224,544,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.2998653,ISDB,SBENKNZHVXGNTP-UHFFFAOYSA-N,"InChI=1S/C11H14O3/c1-13-7-3-4-9-5-6-10(12)11(8-9)14-2/h3-6,8,12H,7H2,1-2H3",COCC=Cc1ccc(O)c(OC)c1,C11H14O3,,194.094294308,SBENKNZHVXGNTP,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Ligusticum chuanxiong,200246.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Unknown'],['Ligusticum'],['Ligusticum sinense'],4,3,6.699461221694946 34743,1224,544,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.2998653,ISDB,SBENKNZHVXGNTP-UHFFFAOYSA-N,"InChI=1S/C11H14O3/c1-13-7-3-4-9-5-6-10(12)11(8-9)14-2/h3-6,8,12H,7H2,1-2H3",COCC=Cc1ccc(O)c(OC)c1,C11H14O3,,194.094294308,SBENKNZHVXGNTP,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Ligusticum striatum,3889924.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Unknown'],['Ligusticum'],['Ligusticum striatum'],4,3,6.699461221694946 34744,1224,544,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.2998653,ISDB,SBENKNZHVXGNTP-UHFFFAOYSA-N,"InChI=1S/C11H14O3/c1-13-7-3-4-9-5-6-10(12)11(8-9)14-2/h3-6,8,12H,7H2,1-2H3",COCC=Cc1ccc(O)c(OC)c1,C11H14O3,,194.094294308,SBENKNZHVXGNTP,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Conioselinum anthriscoides,200246.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Unknown'],['Ligusticum'],['Ligusticum sinense'],4,3,6.699461221694946 34745,1224,544,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.2998653,ISDB,SBENKNZHVXGNTP-UHFFFAOYSA-N,"InChI=1S/C11H14O3/c1-13-7-3-4-9-5-6-10(12)11(8-9)14-2/h3-6,8,12H,7H2,1-2H3",COCC=Cc1ccc(O)c(OC)c1,C11H14O3,,194.094294308,SBENKNZHVXGNTP,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Aeschynanthus bracteatus,154188.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Gesneriaceae'],['Trichosporeae'],['Aeschynanthus'],['Aeschynanthus bracteatus'],4,3,6.699461221694946 34727,1223,242,Fatty acids,Sesquiterpenoids,Furans,0.58687073,ISDB,CTLVRIOTFRWXKP-BGTYHANMSA-N,"InChI=1S/C18H28O/c1-13-7-6-8-16-17(13,4)11-9-14(2)18(16,5)12-10-15(3)19/h6-7,14,16H,1,8-12H2,2-5H3/t14-,16-,17+,18+/m1/s1",C=C1C=CC[C@H]2[C@@](C)(CCC(C)=O)[C@H](C)CC[C@@]12C,C18H28O,,260.214015516,CTLVRIOTFRWXKP,Terpenoids,Sesquiterpenoids,,Parentucellia latifolia,981066.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Orobanchaceae'],['Rhinantheae'],['Parentucellia'],['Parentucellia latifolia'],4,2,7.347482919692993 34705,1221,-1,,,,0.0,MS1_match,IPCSVZSSVZVIGE-UHFFFAOYSA-N,"InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)",CCCCCCCCCCCCCCCC(=O)O,C16H32O2,pos_2MCH3CNNa,256.240230264,IPCSVZSSVZVIGE,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Clematis vitalba,756499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis vitalba'],8,0,8.0 34703,1219,144,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,0.7971584,ISDB,DVNZKWQUAXJYGB-UHFFFAOYSA-N,"InChI=1S/C21H37O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h3-4,6-7,9-10,20,22H,2,5,8,11-19H2,1H3,(H2,24,25,26)",CCC=CCC=CCC=CCCCCCCCC(=O)OCC(O)COP(=O)(O)O,C21H37O7P,,432.2276901539999,DVNZKWQUAXJYGB,Fatty acids,Glycerophospholipids,Glycerophosphates,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],4,0,7.188633680343628 34692,1217,-1,,,,0.0,MS1_match,QPMVBTMUWDUUTJ-KZYULCMASA-N,"InChI=1S/C27H40O11/c1-14(2)8-20(29)37-22(16(5)6)24(31)33-11-18-12-34-25(38-21(30)9-15(3)4)23-26(18,32)10-19(36-17(7)28)27(23)13-35-27/h12,14-16,19,22-23,25,32H,8-11,13H2,1-7H3/t19-,22?,23-,25-,26-,27+/m0/s1",CC(=O)O[C@H]1C[C@]2(O)C(COC(=O)C(OC(=O)CC(C)C)C(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C27H40O11,pos_1_1potassium,540.2570621,QPMVBTMUWDUUTJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana sitchensis,21459.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana sitchensis'],6,0,6.0 34693,1217,-1,,,,0.0,MS1_match,QPMVBTMUWDUUTJ-KZYULCMASA-N,"InChI=1S/C27H40O11/c1-14(2)8-20(29)37-22(16(5)6)24(31)33-11-18-12-34-25(38-21(30)9-15(3)4)23-26(18,32)10-19(36-17(7)28)27(23)13-35-27/h12,14-16,19,22-23,25,32H,8-11,13H2,1-7H3/t19-,22?,23-,25-,26-,27+/m0/s1",CC(=O)O[C@H]1C[C@]2(O)C(COC(=O)C(OC(=O)CC(C)C)C(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C27H40O11,pos_1_1potassium,540.2570621,QPMVBTMUWDUUTJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plectritis congesta,830567.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Plectritis'],['Plectritis congesta'],6,0,6.0 34694,1217,-1,,,,0.0,MS1_match,QPMVBTMUWDUUTJ-KZYULCMASA-N,"InChI=1S/C27H40O11/c1-14(2)8-20(29)37-22(16(5)6)24(31)33-11-18-12-34-25(38-21(30)9-15(3)4)23-26(18,32)10-19(36-17(7)28)27(23)13-35-27/h12,14-16,19,22-23,25,32H,8-11,13H2,1-7H3/t19-,22?,23-,25-,26-,27+/m0/s1",CC(=O)O[C@H]1C[C@]2(O)C(COC(=O)C(OC(=O)CC(C)C)C(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C27H40O11,pos_1_1potassium,540.2570621,QPMVBTMUWDUUTJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plectritis macrocera,945858.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Plectritis'],['Plectritis macrocera'],6,0,6.0 34695,1217,-1,,,,0.0,MS1_match,QPMVBTMUWDUUTJ-UHFFFAOYSA-N,"InChI=1S/C27H40O11/c1-14(2)8-20(29)37-22(16(5)6)24(31)33-11-18-12-34-25(38-21(30)9-15(3)4)23-26(18,32)10-19(36-17(7)28)27(23)13-35-27/h12,14-16,19,22-23,25,32H,8-11,13H2,1-7H3",CC(=O)OC1CC2(O)C(COC(=O)C(OC(=O)CC(C)C)C(C)C)=COC(OC(=O)CC(C)C)C2C12CO2,C27H40O11,pos_1_1potassium,540.2570620999999,QPMVBTMUWDUUTJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 34696,1217,-1,,,,0.0,MS1_match,QPMVBTMUWDUUTJ-PXKJKYEHSA-N,"InChI=1S/C27H40O11/c1-14(2)8-20(29)37-22(16(5)6)24(31)33-11-18-12-34-25(38-21(30)9-15(3)4)23-26(18,32)10-19(36-17(7)28)27(23)13-35-27/h12,14-16,19,22-23,25,32H,8-11,13H2,1-7H3/t19-,22+,23-,25-,26-,27+/m0/s1",CC(=O)O[C@H]1C[C@]2(O)C(COC(=O)[C@H](OC(=O)CC(C)C)C(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C27H40O11,pos_1_1potassium,540.2570621,QPMVBTMUWDUUTJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,0,6.0 34697,1217,-1,,,,0.0,MS1_match,QPMVBTMUWDUUTJ-KZYULCMASA-N,"InChI=1S/C27H40O11/c1-14(2)8-20(29)37-22(16(5)6)24(31)33-11-18-12-34-25(38-21(30)9-15(3)4)23-26(18,32)10-19(36-17(7)28)27(23)13-35-27/h12,14-16,19,22-23,25,32H,8-11,13H2,1-7H3/t19-,22?,23-,25-,26-,27+/m0/s1",CC(=O)O[C@H]1C[C@]2(O)C(COC(=O)C(OC(=O)CC(C)C)C(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C27H40O11,pos_1_1potassium,540.2570621,QPMVBTMUWDUUTJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana sitchensis,21459.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana sitchensis'],6,0,6.0 34698,1217,-1,,,,0.0,MS1_match,QPMVBTMUWDUUTJ-KZYULCMASA-N,"InChI=1S/C27H40O11/c1-14(2)8-20(29)37-22(16(5)6)24(31)33-11-18-12-34-25(38-21(30)9-15(3)4)23-26(18,32)10-19(36-17(7)28)27(23)13-35-27/h12,14-16,19,22-23,25,32H,8-11,13H2,1-7H3/t19-,22?,23-,25-,26-,27+/m0/s1",CC(=O)O[C@H]1C[C@]2(O)C(COC(=O)C(OC(=O)CC(C)C)C(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C27H40O11,pos_1_1potassium,540.2570621,QPMVBTMUWDUUTJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plectritis congesta,830567.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Plectritis'],['Plectritis congesta'],6,0,6.0 34699,1217,-1,,,,0.0,MS1_match,QPMVBTMUWDUUTJ-KZYULCMASA-N,"InChI=1S/C27H40O11/c1-14(2)8-20(29)37-22(16(5)6)24(31)33-11-18-12-34-25(38-21(30)9-15(3)4)23-26(18,32)10-19(36-17(7)28)27(23)13-35-27/h12,14-16,19,22-23,25,32H,8-11,13H2,1-7H3/t19-,22?,23-,25-,26-,27+/m0/s1",CC(=O)O[C@H]1C[C@]2(O)C(COC(=O)C(OC(=O)CC(C)C)C(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C27H40O11,pos_1_1potassium,540.2570621,QPMVBTMUWDUUTJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plectritis macrocera,945858.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Plectritis'],['Plectritis macrocera'],6,0,6.0 34700,1217,-1,,,,0.0,MS1_match,QPMVBTMUWDUUTJ-UHFFFAOYSA-N,"InChI=1S/C27H40O11/c1-14(2)8-20(29)37-22(16(5)6)24(31)33-11-18-12-34-25(38-21(30)9-15(3)4)23-26(18,32)10-19(36-17(7)28)27(23)13-35-27/h12,14-16,19,22-23,25,32H,8-11,13H2,1-7H3",CC(=O)OC1CC2(O)C(COC(=O)C(OC(=O)CC(C)C)C(C)C)=COC(OC(=O)CC(C)C)C2C12CO2,C27H40O11,pos_1_1potassium,540.2570620999999,QPMVBTMUWDUUTJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 34701,1217,-1,,,,0.0,MS1_match,QPMVBTMUWDUUTJ-PXKJKYEHSA-N,"InChI=1S/C27H40O11/c1-14(2)8-20(29)37-22(16(5)6)24(31)33-11-18-12-34-25(38-21(30)9-15(3)4)23-26(18,32)10-19(36-17(7)28)27(23)13-35-27/h12,14-16,19,22-23,25,32H,8-11,13H2,1-7H3/t19-,22+,23-,25-,26-,27+/m0/s1",CC(=O)O[C@H]1C[C@]2(O)C(COC(=O)[C@H](OC(=O)CC(C)C)C(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,C27H40O11,pos_1_1potassium,540.2570621,QPMVBTMUWDUUTJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,0,6.0 34702,1217,-1,,,,0.0,MS1_match,UOZVACDGDZZCPO-IUWRHVCYSA-N,"InChI=1S/C27H40O11/c1-15(2)8-21(29)36-14-27(33)20(37-22(30)9-16(3)4)10-19-18(12-34-17(5)28)13-35-25(24(19)27)38-23(31)11-26(6,7)32/h10,13,15-16,20,24-25,32-33H,8-9,11-12,14H2,1-7H3/t20-,24+,25-,27+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)(C)O)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]2(O)COC(=O)CC(C)C,C27H40O11,pos_1_1potassium,540.2570620999999,UOZVACDGDZZCPO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana sorbifolia,445623.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana sorbifolia'],6,0,6.0 34681,1215,18,Alkaloids,Diarylheptanoids,Linear diarylheptanoids,0.25672233,ISDB,WAHUIEHYVBLIER-GOSISDBHSA-N,"InChI=1S/C20H24O5/c1-25-20-12-15(6-11-19(20)24)5-10-18(23)13-17(22)9-4-14-2-7-16(21)8-3-14/h2-3,6-8,11-12,18,21,23-24H,4-5,9-10,13H2,1H3/t18-/m1/s1",COc1cc(CC[C@@H](O)CC(=O)CCc2ccc(O)cc2)ccc1O,C20H24O5,,344.162373868,WAHUIEHYVBLIER,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Curcuma comosa,1053721.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Curcuma'],['Curcuma comosa'],4,3,6.526889324188232 34682,1215,18,Alkaloids,Diarylheptanoids,Linear diarylheptanoids,0.25672233,ISDB,WAHUIEHYVBLIER-UHFFFAOYSA-N,"InChI=1S/C20H24O5/c1-25-20-12-15(6-11-19(20)24)5-10-18(23)13-17(22)9-4-14-2-7-16(21)8-3-14/h2-3,6-8,11-12,18,21,23-24H,4-5,9-10,13H2,1H3",COc1cc(CCC(O)CC(=O)CCc2ccc(O)cc2)ccc1O,C20H24O5,,344.1623738679999,WAHUIEHYVBLIER,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Juglans mandshurica,70093.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Juglandaceae'],['Unknown'],['Juglans'],['Juglans mandshurica'],4,3,6.526889324188232 34683,1215,18,Alkaloids,Diarylheptanoids,Linear diarylheptanoids,0.25672233,ISDB,WAHUIEHYVBLIER-SFHVURJKSA-N,"InChI=1S/C20H24O5/c1-25-20-12-15(6-11-19(20)24)5-10-18(23)13-17(22)9-4-14-2-7-16(21)8-3-14/h2-3,6-8,11-12,18,21,23-24H,4-5,9-10,13H2,1H3/t18-/m0/s1",COc1cc(CC[C@H](O)CC(=O)CCc2ccc(O)cc2)ccc1O,C20H24O5,,344.162373868,WAHUIEHYVBLIER,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alpinia officinarum,477388.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Alpinia'],['Alpinia officinarum'],4,3,6.526889324188232 34684,1215,18,Alkaloids,Diarylheptanoids,Linear diarylheptanoids,0.25672233,ISDB,WAHUIEHYVBLIER-GOSISDBHSA-N,"InChI=1S/C20H24O5/c1-25-20-12-15(6-11-19(20)24)5-10-18(23)13-17(22)9-4-14-2-7-16(21)8-3-14/h2-3,6-8,11-12,18,21,23-24H,4-5,9-10,13H2,1H3/t18-/m1/s1",COc1cc(CC[C@@H](O)CC(=O)CCc2ccc(O)cc2)ccc1O,C20H24O5,,344.162373868,WAHUIEHYVBLIER,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Juglans regia,138717.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Juglandaceae'],['Unknown'],['Juglans'],['Juglans regia'],4,3,6.526889324188232 34685,1215,18,Alkaloids,Diarylheptanoids,Linear diarylheptanoids,0.25672233,ISDB,WAHUIEHYVBLIER-GOSISDBHSA-N,"InChI=1S/C20H24O5/c1-25-20-12-15(6-11-19(20)24)5-10-18(23)13-17(22)9-4-14-2-7-16(21)8-3-14/h2-3,6-8,11-12,18,21,23-24H,4-5,9-10,13H2,1H3/t18-/m1/s1",COc1cc(CC[C@@H](O)CC(=O)CCc2ccc(O)cc2)ccc1O,C20H24O5,,344.162373868,WAHUIEHYVBLIER,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Engelhardia roxburghiana,722586.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Juglandaceae'],['Unknown'],['Engelhardia'],['Engelhardia roxburghiana'],4,3,6.526889324188232 34679,1214,432,Polyketides,Glycerolipids,Glycosyldiacylglycerols,0.41854113,ISDB,,,,,,,ATWJCCYPSOQNOE,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.6741645336151123 34675,1207,677,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.8089823,ISDB,DKEIMQZQSBDMFK-KPKKTSSRSA-N,"InChI=1S/C26H28O17/c27-5-13-17(34)20(37)24(43-25-21(38)18(35)14(6-28)40-25)26(41-13)42-23-19(36)15-9(30)3-8(29)4-12(15)39-22(23)7-1-10(31)16(33)11(32)2-7/h1-4,13-14,17-18,20-21,24-35,37-38H,5-6H2/t13-,14-,17-,18+,20+,21-,24-,25+,26+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C26H28O17,,612.132649436,DKEIMQZQSBDMFK,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Phyllolobium chinense,192321.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus complanatus'],4,3,8.735929250717163 34673,1206,1394,,,,0.24759208,ISDB,,,,,,,FZWCTBPYXRTYEQ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.9903683066368103 34671,1202,945,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.26555225,ISDB,HZGGHVGIXDRDDH-AVUBCJKYSA-N,"InChI=1S/C26H36O11/c1-14-22(29)24(31)25(32)26(36-14)35-10-4-5-15-6-9-18(20(11-15)34-3)37-21(13-27)23(30)16-7-8-17(28)19(12-16)33-2/h6-9,11-12,14,21-32H,4-5,10,13H2,1-3H3/t14-,21-,22-,23+,24+,25+,26-/m0/s1",COc1cc([C@@H](O)[C@H](CO)Oc2ccc(CCCO[C@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)cc2OC)ccc1O,C26H36O11,,524.2257619719998,HZGGHVGIXDRDDH,Shikimates and Phenylpropanoids,Lignans,Neolignans,Epimedium sagittatum,175143.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Berberidaceae'],['Unknown'],['Epimedium'],['Epimedium sagittatum'],4,3,6.5622090101242065 34669,1200,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.86083585,ISDB,BVJSKAUUFXBDOB-UHFFFAOYSA-N,"InChI=1S/C22H45O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(26)29-17-21(25)19-31-32(27,28)30-18-20(24)16-23/h20-21,23-25H,2-19H2,1H3,(H,27,28)",CCCCCCCCCCCCCCCC(=O)OCC(O)COP(=O)(O)OCC(O)CO,C22H45O9P,,484.2801196499999,BVJSKAUUFXBDOB,Fatty acids,Glycerophospholipids,Glycerophosphoglycerols,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],4,1,7.9433434009552 34626,1199,7,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.2059535,ISDB,RGAZJYSRPZSBTF-GVVOHZSFSA-N,"InChI=1S/C40H52O2/c1-29(18-13-20-31(3)23-25-35-33(5)22-15-27-39(35,7)8)16-11-12-17-30(2)19-14-21-32(4)24-26-36-34(6)38(42)37(41)28-40(36,9)10/h11-14,16-21,23-26,28,41H,15,22,27H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,29-16+,30-17+,31-20+,32-21+",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C(=O)C(O)=CC2(C)C)C(C)(C)CCC1,C40H52O2,,564.396730904,RGAZJYSRPZSBTF,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Adonis annua,804994.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Adonideae'],['Adonis'],['Adonis annua'],6,3,8.32381397485733 34623,1198,-1,,,,0.0,MS1_match,NIOBQZWSLRPLTA-SJBHKMHNSA-N,"InChI=1S/C40H64O11/c1-35(2)14-16-40(34(46)47)17-15-38(6)21(22(40)18-35)8-9-26-37(5)12-11-27(36(3,4)25(37)10-13-39(26,38)7)50-33-31(29(44)24(42)20-49-33)51-32-30(45)28(43)23(41)19-48-32/h8,22-33,41-45H,9-20H2,1-7H3,(H,46,47)/t22-,23-,24+,25+,26-,27+,28+,29+,30-,31-,32+,33+,37+,38-,39-,40+/m1/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2C1,C40H64O11,pos_1_sodium,720.444862868,NIOBQZWSLRPLTA,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis chinensis,841986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis chinensis'],9,0,9.0 34620,1197,44,Terpenoids,Tryptophan alkaloids,Cinnamic acids and derivatives,0.0,MS1_match,XRKBRPFTFKKHEF-DGDBGZAXSA-N,"InChI=1S/C17H22O10/c1-24-9-5-8(6-10(25-2)13(9)20)3-4-12(19)27-17-16(23)15(22)14(21)11(7-18)26-17/h3-6,11,14-18,20-23H,7H2,1-2H3/b4-3+/t11-,14-,15+,16-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,C17H22O10,pos_1_1proton1isopropanol,386.1212969039999,XRKBRPFTFKKHEF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Adonis aleppica,6130911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Adonideae'],['Adonis'],['Adonis aleppica'],6,3,7.5 34621,1197,44,Terpenoids,Tryptophan alkaloids,Cinnamic acids and derivatives,0.0,MS1_match,KKLWTTVTWMTNBP-KYXYLJOWSA-N,"InChI=1S/C17H22O10/c1-24-9-5-8(3-4-12(19)20)6-10(25-2)16(9)27-17-15(23)14(22)13(21)11(7-18)26-17/h3-6,11,13-15,17-18,21-23H,7H2,1-2H3,(H,19,20)/b4-3+/t11-,13-,14+,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H22O10,pos_1_1proton1isopropanol,386.1212969039999,KKLWTTVTWMTNBP,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Salacia chinensis,380833.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Salacia'],['Salacia chinensis'],6,3,7.5 34622,1197,44,Terpenoids,Tryptophan alkaloids,Cinnamic acids and derivatives,0.0,MS1_match,QWIIMHNSFMCFHE-IWHNWRMISA-N,"InChI=1S/C17H22O10/c1-26-11-5-8(6-12(27-2)15(11)23)3-4-9(19)13(21)16(24)17(25)14(22)10(20)7-18/h3-6,10,14,16-18,20,22-25H,7H2,1-2H3/b4-3+/t10-,14-,16+,17+/m1/s1",COc1cc(/C=C/C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)cc(OC)c1O,C17H22O10,pos_1_1proton1isopropanol,386.121296904,QWIIMHNSFMCFHE,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Adonis aleppica,6130911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Adonideae'],['Adonis'],['Adonis aleppica'],6,3,7.5 34617,1196,7,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.24156381,ISDB,GZIOHXRVLOOKSP-QYJDRXKLSA-N,"InChI=1S/C25H34O/c1-15(2)17-7-9-23(4)13-18-21(12-20(17)23)25-11-6-16(3)19(25)8-10-24(25,5)22(18)14-26/h12,14-16,19H,6-11,13H2,1-5H3/t16-,19+,23+,24+,25-/m1/s1",CC(C)C1=C2C=C3C(=C(C=O)[C@]4(C)CC[C@H]5[C@H](C)CC[C@]354)C[C@]2(C)CC1,C25H34O,,350.260965708,GZIOHXRVLOOKSP,Terpenoids,Diterpenoids,Dolastane diterpenoids,Aspergillus stellatus,397551.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Aspergillus'],['Aspergillus stellatus'],1,1,2.466255247592926 34615,1193,58,Polyketides,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,BSOROLZKYXGRJC-LVXXQJFHSA-N,"InChI=1S/C23H34N2O3/c1-4-21-10-16(28-3)23-13-8-12-6-7-22(27,18(13)17(12)20(24)26)14(9-15(21)23)19(23)25(5-2)11-21/h4,12-19,27H,1,5-11H2,2-3H3,(H2,24,26)/t12?,13?,14?,15?,16-,17?,18?,19?,21+,22-,23?/m0/s1",C=C[C@]12C[C@H](OC)C34C5CC6CC[C@](O)(C(CC31)C4N(CC)C2)C5C6C(N)=O,C23H34N2O3,pos_2MH,386.256942948,BSOROLZKYXGRJC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum racemulosum,892121.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum racemulosum'],6,0,6.0 34610,1190,729,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.46032605,ISDB,CNNDXKQLSAQYHQ-DQPLZYKKSA-N,"InChI=1S/C36H36O17/c1-47-25-10-17(2-8-21(25)39)3-9-28(42)48-15-36(46)16-49-35(33(36)45)53-32-31(44)30(43)27(14-37)52-34(32)50-20-11-22(40)29-23(41)13-24(51-26(29)12-20)18-4-6-19(38)7-5-18/h2-13,27,30-35,37-40,43-46H,14-16H2,1H3/b9-3+/t27-,30-,31+,32-,33+,34-,35+,36-/m1/s1",COc1cc(/C=C/C(=O)OC[C@@]2(O)CO[C@@H](O[C@H]3[C@H](Oc4cc(O)c5c(=O)cc(-c6ccc(O)cc6)oc5c4)O[C@H](CO)[C@@H](O)[C@@H]3O)[C@@H]2O)ccc1O,C36H36O17,,740.1952496920001,CNNDXKQLSAQYHQ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Apium graveolens,2472.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Apieae'],['Apium'],['Apium graveolens'],4,2,6.841304183006287 34596,1189,-1,,,,0.6562079,ISDB,GLFSTVQYXPOBGJ-UHFFFAOYSA-N,"InChI=1S/C19H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(20)19(21)22/h2-17H2,1H3,(H,21,22)",CCCCCCCCCCCCCCCCCC(=O)C(=O)O,C19H36O3,,312.266445012,GLFSTVQYXPOBGJ,Fatty acids,Fatty Acids and Conjugates,Oxo fatty acids,Lepidium meyenii,681784.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Lepidieae'],['Lepidium'],['Lepidium meyenii'],4,0,6.624831676483154 34476,1187,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.7618044,ISDB,RVEKLXYYCHAMDF-AOSYACOCSA-N,"InChI=1S/C16H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h4-5,7-8H,2-3,6,9-15H2,1H3,(H,17,18)/b5-4+,8-7+",CCC/C=C/C/C=C/CCCCCCCC(=O)O,C16H28O2,,252.208930136,RVEKLXYYCHAMDF,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Asclepias syriaca,148395.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Asclepiadeae'],['Asclepias'],['Asclepias syriaca'],4,2,8.047217607498169 34441,1185,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.58757764,ISDB,VAGGDCACZPJMFS-OPOXAECZSA-N,"InChI=1S/C19H36O5/c1-3-4-5-9-12-17(21)18(22)15-14-16(20)11-8-6-7-10-13-19(23)24-2/h14-18,20-22H,3-13H2,1-2H3/b15-14+/t16-,17+,18+/m1/s1",CCCCCC[C@H](O)[C@@H](O)/C=C/[C@H](O)CCCCCCC(=O)OC,C19H36O5,,344.256274252,VAGGDCACZPJMFS,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Sambucus williamsii,589181.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Adoxaceae'],['Unknown'],['Sambucus'],['Sambucus williamsii'],5,2,8.350310564041138 34234,1180,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.29574555,ISDB,PSQYTAPXSHCGMF-BQYQJAHWSA-N,"InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7+",CC(=O)/C=C/C1=C(C)CCCC1(C)C,C13H20O,,192.15141526,PSQYTAPXSHCGMF,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,1,7.6829822063446045 34231,1178,1678,Terpenoids,Triterpenoids,Cycloartane triterpenoids,0.32418653,ISDB,XJSRVKXLEZHOGP-XUJCYHNHSA-N,"InChI=1S/C40H60O11/c1-22(41)47-20-37(9)29-14-17-38(10)30(36(29,8)16-15-32(37)49-24(3)43)13-12-27-28-18-35(6,7)33(50-25(4)44)34(51-26(5)45)40(28,21-48-23(2)42)31(46)19-39(27,38)11/h12,28-34,46H,13-21H2,1-11H3/t28-,29+,30+,31+,32-,33-,34-,36-,37+,38+,39+,40-/m0/s1",CC(=O)OC[C@]1(C)[C@@H]2CC[C@]3(C)[C@H](CC=C4[C@@H]5CC(C)(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]5(COC(C)=O)[C@H](O)C[C@]43C)[C@@]2(C)CC[C@@H]1OC(C)=O,C40H60O11,,716.41356274,XJSRVKXLEZHOGP,Terpenoids,Triterpenoids,Oleanane triterpenoids,Napoleonaea imperialis,909433.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Lecythidaceae'],['Unknown'],['Napoleonaea'],['Napoleonaea imperialis'],4,2,6.296746134757996 34228,1176,80,Terpenoids,Tryptophan alkaloids,Carbazole alkaloids,0.64604867,ISDB,KLQOLSXBHGJGJD-UHFFFAOYSA-N,"InChI=1S/C36H42O10/c1-14(12-37)7-25(38)45-13-35(43)22-10-21(22)33(4)23(35)11-19-15(2)32(42)46-36(19)24(33)9-18-17-8-20(17)34(5)27(18)28(36)26(29(39)30(34)40)16(3)31(41)44-6/h7,17,20-24,28,30,37,40,43H,8-13H2,1-6H3",COC(=O)C(C)=C1C(=O)C(O)C2(C)C3=C(CC4C5(OC(=O)C(C)=C5CC5C(O)(COC(=O)C=C(C)CO)C6CC6C54C)C13)C1CC12,C36H42O10,,634.277797544,KLQOLSXBHGJGJD,Terpenoids,Sesquiterpenoids,Cycloeudesmane sesquiterpenoids,Chloranthus fortunei,569911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Chloranthales'],['Chloranthaceae'],['Unknown'],['Chloranthus'],['Chloranthus fortunei'],4,1,7.084194660186768 34216,1174,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.60063124,ISDB,VAGGDCACZPJMFS-OPOXAECZSA-N,"InChI=1S/C19H36O5/c1-3-4-5-9-12-17(21)18(22)15-14-16(20)11-8-6-7-10-13-19(23)24-2/h14-18,20-22H,3-13H2,1-2H3/b15-14+/t16-,17+,18+/m1/s1",CCCCCC[C@H](O)[C@@H](O)/C=C/[C@H](O)CCCCCCC(=O)OC,C19H36O5,,344.256274252,VAGGDCACZPJMFS,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Sambucus williamsii,589181.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Adoxaceae'],['Unknown'],['Sambucus'],['Sambucus williamsii'],5,2,8.402524948120117 34213,1173,1344,Terpenoids,Diterpenoids,Verticillane diterpenoids,0.23877215,ISDB,UGDVDUDNGSZKIS-HRVVTOCWSA-N,"InChI=1S/C29H38O3/c1-16-9-7-11-21-13-25-27(18(3)26(16)21)19(4)28(32-25)31-24-14-22-12-8-10-17(2)29(22,6)15-23(24)20(5)30/h13,16-17,22H,7-12,14-15H2,1-6H3/t16-,17-,22+,29+/m0/s1",CC(=O)C1=C(Oc2oc3cc4c(c(C)c3c2C)[C@@H](C)CCC4)C[C@H]2CCC[C@H](C)[C@@]2(C)C1,C29H38O3,,434.282095076,UGDVDUDNGSZKIS,Terpenoids,Sesquiterpenoids,Noreremophilane sesquiterpenoids,Ligularia muliensis,7051955.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Ligularia'],['Ligularia muliensis'],4,1,5.4550886154174805 34212,1170,203,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,0.0,MS1_match,WEYUSPOGCLAOEC-NCKBJQSISA-N,"InChI=1S/C29H38O16/c1-12(30)19-22(41-15(4)33)25(44-18(7)36)28(11-40-14(3)32)24(43-17(6)35)21(37)20-23(42-16(5)34)29(28,27(19,9)38)45-26(20,8)10-39-13(2)31/h19-20,22-25,38H,10-11H2,1-9H3/t19-,20+,22-,23+,24+,25-,26-,27-,28+,29-/m0/s1",CC(=O)OC[C@]12[C@H](OC(C)=O)C(=O)[C@@H]3[C@@H](OC(C)=O)[C@]1(O[C@@]3(C)COC(C)=O)[C@@](C)(O)[C@@H](C(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O,C29H38O16,pos_2_2proton2acetonitrile,642.215985136,WEYUSPOGCLAOEC,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Monteverdia chiapensis,6092929.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Monteverdia'],['Monteverdia chiapensis'],6,3,7.5 34199,1169,94,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.5360467,ISDB,HUSISCNTLUEZCN-JWRMENJJSA-N,"InChI=1S/C27H46O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(30)34-19-21(29)20-35-27-26(33)25(32)24(31)22(18-28)36-27/h3-4,6-7,9-10,21-22,24-29,31-33H,2,5,8,11-20H2,1H3/b4-3+,7-6+,10-9-/t21-,22+,24-,25-,26+,27+/m0/s1",CC/C=C/C/C=C/C/C=C\CCCCCCCC(=O)OC[C@H](O)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C27H46O9,,514.3141830519999,HUSISCNTLUEZCN,Fatty acids,Glycerolipids,Glycosylmonoacylglycerols,Vitis heyneana,568884.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Vitales'],['Vitaceae'],['Viteae'],['Vitis'],['Vitis heyneana'],4,1,6.644186735153198 34200,1169,94,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.5360467,ISDB,HUSISCNTLUEZCN-DTYSIQRPSA-N,"InChI=1S/C27H46O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(30)34-19-21(29)20-35-27-26(33)25(32)24(31)22(18-28)36-27/h3-4,6-7,9-10,21-22,24-29,31-33H,2,5,8,11-20H2,1H3/b4-3-,7-6-,10-9-/t21-,22-,24+,25+,26-,27-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C27H46O9,,514.314183052,HUSISCNTLUEZCN,Fatty acids,Glycerolipids,Glycosylmonoacylglycerols,Isatis tinctoria,631500.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Isatideae'],['Isatis'],['Isatis tinctoria'],4,1,6.644186735153198 34201,1169,94,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.5360467,ISDB,HUSISCNTLUEZCN-DTYSIQRPSA-N,"InChI=1S/C27H46O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(30)34-19-21(29)20-35-27-26(33)25(32)24(31)22(18-28)36-27/h3-4,6-7,9-10,21-22,24-29,31-33H,2,5,8,11-20H2,1H3/b4-3-,7-6-,10-9-/t21-,22-,24+,25+,26-,27-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C27H46O9,,514.314183052,HUSISCNTLUEZCN,Fatty acids,Glycerolipids,Glycosylmonoacylglycerols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],4,1,6.644186735153198 34202,1169,94,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.5360467,ISDB,HUSISCNTLUEZCN-DTYSIQRPSA-N,"InChI=1S/C27H46O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(30)34-19-21(29)20-35-27-26(33)25(32)24(31)22(18-28)36-27/h3-4,6-7,9-10,21-22,24-29,31-33H,2,5,8,11-20H2,1H3/b4-3-,7-6-,10-9-/t21-,22-,24+,25+,26-,27-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C27H46O9,,514.314183052,HUSISCNTLUEZCN,Fatty acids,Glycerolipids,Glycosylmonoacylglycerols,Clinacanthus nutans,129764.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Acanthaceae'],['Justicieae'],['Clinacanthus'],['Clinacanthus nutans'],4,1,6.644186735153198 34203,1169,94,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.5360467,ISDB,HUSISCNTLUEZCN-DTYSIQRPSA-N,"InChI=1S/C27H46O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(30)34-19-21(29)20-35-27-26(33)25(32)24(31)22(18-28)36-27/h3-4,6-7,9-10,21-22,24-29,31-33H,2,5,8,11-20H2,1H3/b4-3-,7-6-,10-9-/t21-,22-,24+,25+,26-,27-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C27H46O9,,514.314183052,HUSISCNTLUEZCN,Fatty acids,Glycerolipids,Glycosylmonoacylglycerols,Guapira graciliflora,6038299.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Nyctaginaceae'],['Unknown'],['Guapira'],['Guapira graciliflora'],4,1,6.644186735153198 34204,1169,94,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.5360467,ISDB,HUSISCNTLUEZCN-DTYSIQRPSA-N,"InChI=1S/C27H46O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(30)34-19-21(29)20-35-27-26(33)25(32)24(31)22(18-28)36-27/h3-4,6-7,9-10,21-22,24-29,31-33H,2,5,8,11-20H2,1H3/b4-3-,7-6-,10-9-/t21-,22-,24+,25+,26-,27-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C27H46O9,,514.314183052,HUSISCNTLUEZCN,Fatty acids,Glycerolipids,Glycosylmonoacylglycerols,Sonchus arvensis,761934.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Sonchus'],['Sonchus arvensis'],4,1,6.644186735153198 34205,1169,94,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.5360467,ISDB,HUSISCNTLUEZCN-DTYSIQRPSA-N,"InChI=1S/C27H46O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(30)34-19-21(29)20-35-27-26(33)25(32)24(31)22(18-28)36-27/h3-4,6-7,9-10,21-22,24-29,31-33H,2,5,8,11-20H2,1H3/b4-3-,7-6-,10-9-/t21-,22-,24+,25+,26-,27-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C27H46O9,,514.314183052,HUSISCNTLUEZCN,Fatty acids,Glycerolipids,Glycosylmonoacylglycerols,Sonchus mauritanicus,572923.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Sonchus'],['Sonchus mauritanicus'],4,1,6.644186735153198 34197,1167,-1,,,,0.0,MS1_match,KDYAPQVYJXUQNY-OPHDRXFHSA-N,"InChI=1S/C51H84O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42(53)61-36-39(64-43(54)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-62-50-49(60)47(58)45(56)41(66-50)38-63-51-48(59)46(57)44(55)40(35-52)65-51/h5-8,11-14,17-20,39-41,44-52,55-60H,3-4,9-10,15-16,21-38H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t39-,40-,41-,44+,45+,46+,47+,48-,49-,50-,51+/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C51H84O15,pos_1_1potassium,936.5810219880002,KDYAPQVYJXUQNY,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Ranunculus fluitans,961752.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus fluitans'],6,0,6.0 34198,1167,-1,,,,0.0,MS1_match,KDYAPQVYJXUQNY-OPHDRXFHSA-N,"InChI=1S/C51H84O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42(53)61-36-39(64-43(54)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-62-50-49(60)47(58)45(56)41(66-50)38-63-51-48(59)46(57)44(55)40(35-52)65-51/h5-8,11-14,17-20,39-41,44-52,55-60H,3-4,9-10,15-16,21-38H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t39-,40-,41-,44+,45+,46+,47+,48-,49-,50-,51+/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C51H84O15,pos_1_1potassium,936.5810219880002,KDYAPQVYJXUQNY,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Ranunculus fluitans,961752.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus fluitans'],6,0,6.0 34192,1165,-1,,,,0.22662815,ISDB,XRIDGQVLGQMCMX-OLEFQQMKSA-N,"InChI=1S/C15H16O7/c1-20-12-6-9(2-4-10(12)16)3-5-14(18)21-8-13-11(17)7-15(19)22-13/h2-6,11,13,16-17H,7-8H2,1H3/b5-3+/t11-,13+/m0/s1",COc1cc(/C=C/C(=O)OC[C@H]2OC(=O)C[C@@H]2O)ccc1O,C15H16O7,,308.089602852,XRIDGQVLGQMCMX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis terniflora var. mandshurica,446556.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis terniflora'],8,0,8.90651261806488 34178,1163,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.6132925,ISDB,GLFSTVQYXPOBGJ-UHFFFAOYSA-N,"InChI=1S/C19H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(20)19(21)22/h2-17H2,1H3,(H,21,22)",CCCCCCCCCCCCCCCCCC(=O)C(=O)O,C19H36O3,,312.266445012,GLFSTVQYXPOBGJ,Fatty acids,Fatty Acids and Conjugates,Oxo fatty acids,Lepidium meyenii,681784.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Lepidieae'],['Lepidium'],['Lepidium meyenii'],4,2,7.45317006111145 34173,1161,627,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,BMRSEYFENKXDIS-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O8,pos_1_1potassium,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 34174,1161,627,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,BMRSEYFENKXDIS-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O8,pos_1_1potassium,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 34168,1160,-1,,,,0.0,MS1_match,AZOXLPPOBHVORY-DKHHQGSCSA-N,"InChI=1S/C29H42O11/c1-14-22(33)23(34)24(35)25(39-14)40-16-3-6-27(13-30)21-18(4-7-28(27,36)10-16)29(37)8-5-17(15-9-20(32)38-12-15)26(29,2)11-19(21)31/h9,13-14,16-19,21-25,31,33-37H,3-8,10-12H2,1-2H3/t14-,16+,17-,18-,19-,21-,22+,23-,24-,25+,26-,27+,28+,29+/m1/s1",C[C@H]1O[C@@H](O[C@H]2CC[C@]3(C=O)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O,C29H42O11,pos_1_1proton1dmso,566.272712164,AZOXLPPOBHVORY,Terpenoids,Steroids,Cardenolides,Crossopetalum gaumeri,1091453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Crossopetalum'],['Crossopetalum gaumeri'],6,0,6.0 34169,1160,-1,,,,0.0,MS1_match,FLADIPPXZAQMOB-KDVZEOQNSA-N,"InChI=1S/C35H40O9/c1-21-19-27(42-29(38)18-17-24-13-9-7-10-14-24)31(41-23(3)37)34(6)28(43-32(39)25-15-11-8-12-16-25)20-26-30(40-22(2)36)35(21,34)44-33(26,4)5/h7-18,21,26-28,30-31H,19-20H2,1-6H3/b18-17+/t21-,26-,27+,28+,30-,31-,34-,35-/m1/s1",CC(=O)O[C@@H]1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@@H](C)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)c4ccccc4)[C@]12C)[C@H]3OC(C)=O,C35H40O9,pos_1_1proton1acetonitrile,604.2672328599999,FLADIPPXZAQMOB,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Celastrus flagellaris,709260.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Celastrus'],['Celastrus flagellaris'],6,0,6.0 34170,1160,-1,,,,0.0,MS1_match,TYXXCCYTIZJOEY-HDYWKXFZSA-N,"InChI=1S/C35H40O9/c1-22-18-28(42-32(39)26-14-10-7-11-15-26)31(41-24(3)37)34(21-40-23(2)36)29(19-27-20-35(22,34)44-33(27,4)5)43-30(38)17-16-25-12-8-6-9-13-25/h6-17,22,27-29,31H,18-21H2,1-5H3/b17-16+/t22-,27-,28+,29+,31+,34-,35+/m1/s1",CC(=O)OC[C@]12[C@@H](OC(=O)/C=C/c3ccccc3)C[C@@H]3C[C@]1(OC3(C)C)[C@H](C)C[C@H](OC(=O)c1ccccc1)[C@@H]2OC(C)=O,C35H40O9,pos_1_1proton1acetonitrile,604.2672328599999,TYXXCCYTIZJOEY,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Celastrus flagellaris,709260.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Celastrus'],['Celastrus flagellaris'],6,0,6.0 34171,1160,-1,,,,0.0,MS1_match,MDCKQLXQBJQOMX-LCEQPYDFSA-N,"InChI=1S/C35H40O9/c1-21-19-27(42-32(39)25-15-11-8-12-16-25)31(41-23(3)37)34(6)28(43-29(38)18-17-24-13-9-7-10-14-24)20-26-30(40-22(2)36)35(21,34)44-33(26,4)5/h7-18,21,26-28,30-31H,19-20H2,1-6H3/b18-17+/t21-,26-,27+,28+,30-,31+,34-,35-/m1/s1",CC(=O)O[C@@H]1[C@H]2C[C@H](OC(=O)/C=C/c3ccccc3)[C@]3(C)[C@@H](OC(C)=O)[C@@H](OC(=O)c4ccccc4)C[C@@H](C)[C@@]13OC2(C)C,C35H40O9,pos_1_1proton1acetonitrile,604.2672328599999,MDCKQLXQBJQOMX,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Celastrus flagellaris,709260.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Celastrus'],['Celastrus flagellaris'],6,0,6.0 34172,1160,-1,,,,0.0,MS1_match,JBPHMRUWQMMAEK-PPDJSRMGSA-N,"InChI=1S/C35H40O9/c1-21-19-27(40-22(2)36)31(41-23(3)37)34(6)28(42-29(38)18-17-24-13-9-7-10-14-24)20-26-30(35(21,34)44-33(26,4)5)43-32(39)25-15-11-8-12-16-25/h7-18,21,26-28,30-31H,19-20H2,1-6H3/b18-17+/t21-,26-,27+,28-,30-,31+,34-,35-/m1/s1",CC(=O)O[C@H]1C[C@@H](C)[C@]23OC(C)(C)[C@H](C[C@@H](OC(=O)/C=C/c4ccccc4)[C@]2(C)[C@H]1OC(C)=O)[C@H]3OC(=O)c1ccccc1,C35H40O9,pos_1_1proton1acetonitrile,604.26723286,JBPHMRUWQMMAEK,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Celastrus orbiculatus,56757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Celastrus'],['Celastrus orbiculatus'],6,0,6.0 34164,1159,7,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.38540804,ISDB,IVMLONFHZYZDNZ-UHFFFAOYSA-N,"InChI=1S/C27H36O/c1-23(2)13-9-16-26(5)18-11-20-27(6)19-10-17-24(3)14-7-8-15-25(4)21-12-22-28/h7-8,10-15,17-22H,9,16H2,1-6H3",CC(C)=CCCC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=O,C27H36O,,376.276615772,IVMLONFHZYZDNZ,Terpenoids,Apocarotenoids,Apocarotenoids (Ψ-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],4,1,6.041632175445557 34132,1157,7,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.50825274,ISDB,SDLRNDWZNXRCGY-OHLCYODYSA-N,"InChI=1S/C25H34O3/c1-15-6-9-20-23(2,3)10-5-11-24(20,4)19(15)14-25-21(27)12-16-7-8-17(26)13-18(16)22(25)28-25/h6,12-13,19-22,27H,5,7-11,14H2,1-4H3/t19-,20-,21+,22+,24+,25-/m0/s1",CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C[C@@]12O[C@@H]1C1=CC(=O)CCC1=C[C@H]2O,C25H34O3,,382.250794948,SDLRNDWZNXRCGY,Terpenoids,Sesquiterpenoids,Drimane sesquiterpenoids,Didymella coffeae-arabicae,98629.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Dothideomycetes'],['Pleosporales'],['Didymellaceae'],['Unknown'],['Phoma'],['Peyronellaea coffeae-arabicae'],0,1,2.533010959625244 34130,1156,216,,,,0.21422523,ISDB,,,,,,,BMNRKKFJIDDAOJ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.8569009304046631 34129,1155,197,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.33364198,ISDB,KZOPHCFMEGMURT-UHFFFAOYSA-N,"InChI=1S/C16H11NO6/c18-14-7-4-11(9-13(14)17-22)16(21)23-12-5-1-10(2-6-12)3-8-15(19)20/h1-9,18H,(H,19,20)",O=Nc1cc(C(=O)Oc2ccc(C=CC(=O)O)cc2)ccc1O,C16H11NO6,,313.058637072,KZOPHCFMEGMURT,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Streptomyces,772892.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Unknown'],0,3,2.834567904472351 34126,1154,200,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.0,MS1_match,QUJBQBQAIZQWIV-UZTPMTCISA-N,"InChI=1S/C37H50ClN3O10/c1-18-11-10-12-27(48-9)37(46)17-26(49-35(45)40-37)21(4)32-36(6,51-32)28(50-34(44)22(5)41(7)33(43)30-19(2)20(30)3)16-29(42)39-24-14-23(13-18)15-25(47-8)31(24)38/h10-12,14-15,19-22,26-28,30,32,46H,13,16-17H2,1-9H3,(H,39,42)(H,40,45)/b12-10+,18-11+/t19?,20?,21-,22+,26+,27-,28+,30?,32+,36+,37+/m1/s1",COc1cc2cc(c1Cl)NC(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)C1C(C)C1C)[C@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2,C37H50ClN3O10,pos_1_1proton1ethylamine,731.3184724799999,QUJBQBQAIZQWIV,Polyketides,Macrolides,Ansa macrolides,Gymnosporia buchananii,6092721.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Gymnosporia'],['Gymnosporia buchananii'],6,0,6.0 34127,1154,200,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.0,MS1_match,QUJBQBQAIZQWIV-UZTPMTCISA-N,"InChI=1S/C37H50ClN3O10/c1-18-11-10-12-27(48-9)37(46)17-26(49-35(45)40-37)21(4)32-36(6,51-32)28(50-34(44)22(5)41(7)33(43)30-19(2)20(30)3)16-29(42)39-24-14-23(13-18)15-25(47-8)31(24)38/h10-12,14-15,19-22,26-28,30,32,46H,13,16-17H2,1-9H3,(H,39,42)(H,40,45)/b12-10+,18-11+/t19?,20?,21-,22+,26+,27-,28+,30?,32+,36+,37+/m1/s1",COc1cc2cc(c1Cl)NC(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)C1C(C)C1C)[C@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2,C37H50ClN3O10,pos_1_1proton1ethylamine,731.3184724799999,QUJBQBQAIZQWIV,Polyketides,Macrolides,Ansa macrolides,Putterlickia verrucosa,332593.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Putterlickia'],['Putterlickia verrucosa'],6,0,6.0 34077,1153,-1,,,,0.0,MS1_match,NPFVOOAXDOBMCE-PLNGDYQASA-N,"InChI=1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h4-5H,3,6-7H2,1-2H3/b5-4-",CC/C=C\CCOC(C)=O,C8H14O2,pos_1_1proton,142.099379688,NPFVOOAXDOBMCE,Fatty acids,Fatty esters,Wax monoesters,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 33913,1152,-1,,,,0.7455328,ISDB,KQBASRSRJMDOBH-GOSISDBHSA-N,"InChI=1S/C21H34O3/c1-3-4-5-6-7-8-9-10-11-12-18-13-17-14-19(23-2)15-21(22)20(17)16-24-18/h14-15,18,22H,3-13,16H2,1-2H3/t18-/m1/s1",CCCCCCCCCCC[C@@H]1Cc2cc(OC)cc(O)c2CO1,C21H34O3,,334.250794948,KQBASRSRJMDOBH,Polyketides,Chromanes,Azaphilones,Ononis natrix,1072855.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Ononis'],['Ononis natrix'],4,0,6.982131242752075 33859,1151,7,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.35320532,ISDB,QOCBLJWPUILPNE-DGDOQUKGSA-N,"InChI=1S/C40H54O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(43-40)28-39(40,10)42/h11-20,23-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39-,40-/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]23O[C@@H](CC2(C)C)C[C@@]3(C)O)C(C)(C)C[C@H](O)C1,C40H54O3,,582.407295588,QOCBLJWPUILPNE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Magallana gigas,987409.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Bivalvia'],['Ostreida'],['Ostreidae'],['Unknown'],['Magallana'],['Magallana gigas'],1,3,3.9128212928771973 33860,1151,7,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.35320532,ISDB,QOCBLJWPUILPNE-DGDOQUKGSA-N,"InChI=1S/C40H54O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(43-40)28-39(40,10)42/h11-20,23-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39-,40-/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]23O[C@@H](CC2(C)C)C[C@@]3(C)O)C(C)(C)C[C@H](O)C1,C40H54O3,,582.407295588,QOCBLJWPUILPNE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Crassostrea gigas,987409.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Bivalvia'],['Ostreida'],['Ostreidae'],['Unknown'],['Magallana'],['Magallana gigas'],1,3,3.9128212928771973 33861,1151,7,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.35320532,ISDB,QOCBLJWPUILPNE-DGDOQUKGSA-N,"InChI=1S/C40H54O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(43-40)28-39(40,10)42/h11-20,23-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39-,40-/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]23O[C@@H](CC2(C)C)C[C@@]3(C)O)C(C)(C)C[C@H](O)C1,C40H54O3,,582.407295588,QOCBLJWPUILPNE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Corbicula sandai,920655.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Bivalvia'],['Venerida'],['Cyrenidae'],['Unknown'],['Corbicula'],['Corbicula sandai'],1,3,3.9128212928771973 33862,1151,7,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.35320532,ISDB,QOCBLJWPUILPNE-DGDOQUKGSA-N,"InChI=1S/C40H54O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(43-40)28-39(40,10)42/h11-20,23-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39-,40-/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]23O[C@@H](CC2(C)C)C[C@@]3(C)O)C(C)(C)C[C@H](O)C1,C40H54O3,,582.407295588,QOCBLJWPUILPNE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Corbicula japonica,920654.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Bivalvia'],['Venerida'],['Cyrenidae'],['Unknown'],['Corbicula'],['Corbicula japonica'],1,3,3.9128212928771973 33846,1149,-1,,,,0.0,MS1_match,IUSBVFZKQJGVEP-SNAWJCMRSA-N,"InChI=1S/C12H14O3/c1-4-5-10-6-7-11(15-9(2)13)12(8-10)14-3/h4-8H,1-3H3/b5-4+",C/C=C/c1ccc(OC(C)=O)c(OC)c1,C12H14O3,pos_1_1proton,206.094294308,IUSBVFZKQJGVEP,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 33845,1145,-1,,,,0.27949965,ISDB,ASSZAURWVSBFSV-UHFFFAOYSA-N,"InChI=1S/C48H68N8O12/c1-12-26(5)41-45(62)54-40(37(58)13-2)47(64)55(8)36(21-30-23-49-34-19-18-32(67-11)22-33(30)34)48(65)68-28(7)39(53-43(60)38(25(3)4)50-24-57)44(61)52-35(20-29-14-16-31(66-10)17-15-29)42(59)51-27(6)46(63)56(41)9/h14-19,22-28,35-41,49,58H,12-13,20-21H2,1-11H3,(H,50,57)(H,51,59)(H,52,61)(H,53,60)(H,54,62)",CCC(C)C1C(=O)NC(C(O)CC)C(=O)N(C)C(Cc2c[nH]c3ccc(OC)cc23)C(=O)OC(C)C(NC(=O)C(NC=O)C(C)C)C(=O)NC(Cc2ccc(OC)cc2)C(=O)NC(C)C(=O)N1C,C48H68N8O12,,948.495669616,ASSZAURWVSBFSV,Amino acids and Peptides,Oligopeptides,Cyclic peptides,Streptomyces,772892.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Unknown'],0,0,1.1179986000061035 33844,1143,-1,,,,0.0,MS1_match,CZKPUZKGTUPACP-GFCCVEGCSA-N,"InChI=1S/C18H20O7/c1-23-14-6-10(4-5-13(14)20)17(21)12(9-19)11-7-15(24-2)18(22)16(8-11)25-3/h4-8,12,19-20,22H,9H2,1-3H3/t12-/m1/s1",COc1cc(C(=O)[C@H](CO)c2cc(OC)c(O)c(OC)c2)ccc1O,C18H20O7,pos_1_1proton1acetonitrile,348.1209029799999,CZKPUZKGTUPACP,Shikimates and Phenylpropanoids,Lignans,Minor lignans,Microtropis japonica,828316.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Microtropis'],['Microtropis japonica'],6,0,6.0 33839,1142,79,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,NFUHNVZGHNEYRG-GKRKWVKGSA-N,"InChI=1S/C26H36O12/c1-34-18-11-15(6-7-16(18)29)22(30)20(12-27)37-17-8-5-14(10-19(17)35-2)4-3-9-36-26-25(33)24(32)23(31)21(13-28)38-26/h5-8,10-11,20-33H,3-4,9,12-13H2,1-2H3/t20-,21-,22+,23-,24+,25-,26-/m1/s1",COc1cc([C@H](O)[C@@H](CO)Oc2ccc(CCCO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2OC)ccc1O,C26H36O12,pos_1_1proton1ammonium,540.2206765919998,NFUHNVZGHNEYRG,Shikimates and Phenylpropanoids,Lignans,Neolignans,Lonicera gracilipes,920854.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera gracilipes'],7,3,8.5 33840,1142,79,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,NFUHNVZGHNEYRG-GKRKWVKGSA-N,"InChI=1S/C26H36O12/c1-34-18-11-15(6-7-16(18)29)22(30)20(12-27)37-17-8-5-14(10-19(17)35-2)4-3-9-36-26-25(33)24(32)23(31)21(13-28)38-26/h5-8,10-11,20-33H,3-4,9,12-13H2,1-2H3/t20-,21-,22+,23-,24+,25-,26-/m1/s1",COc1cc([C@H](O)[C@@H](CO)Oc2ccc(CCCO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2OC)ccc1O,C26H36O12,pos_1_1proton1ammonium,540.2206765919998,NFUHNVZGHNEYRG,Shikimates and Phenylpropanoids,Lignans,Neolignans,Lonicera gracilipes,920854.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera gracilipes'],7,3,8.5 33841,1142,79,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,VHHJRIJKJTYYIZ-GKRKWVKGSA-N,"InChI=1S/C26H36O12/c1-34-18-10-14(4-3-9-27)5-7-16(18)36-20(12-28)22(30)15-6-8-17(19(11-15)35-2)37-26-25(33)24(32)23(31)21(13-29)38-26/h5-8,10-11,20-33H,3-4,9,12-13H2,1-2H3/t20-,21-,22+,23-,24+,25-,26-/m1/s1",COc1cc([C@H](O)[C@@H](CO)Oc2ccc(CCCO)cc2OC)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C26H36O12,pos_1_1proton1ammonium,540.220676592,VHHJRIJKJTYYIZ,Shikimates and Phenylpropanoids,Lignans,Neolignans,Lonicera gracilipes,920854.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera gracilipes'],7,3,8.5 33842,1142,79,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,HZYWTYSKPVTFNA-URGBZLTBSA-N,"InChI=1S/C26H36O12/c1-34-18-11-15(6-7-16(18)30)25(38-26-24(33)23(32)22(31)20(12-28)37-26)21(13-29)36-17-8-5-14(4-3-9-27)10-19(17)35-2/h5-8,10-11,20-33H,3-4,9,12-13H2,1-2H3/t20-,21+,22-,23+,24-,25+,26+/m1/s1",COc1cc([C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](CO)Oc2ccc(CCCO)cc2OC)ccc1O,C26H36O12,pos_1_1proton1ammonium,540.220676592,HZYWTYSKPVTFNA,Shikimates and Phenylpropanoids,Lignans,Neolignans,Lonicera gracilipes,920854.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera gracilipes'],7,3,8.5 33838,1141,-1,,,,0.0,MS1_match,VISDUEJJQYPGIZ-UHFFFAOYSA-N,"InChI=1S/C13H16N2O4/c1-8(7-11(14)16)12(17)15-10-6-4-3-5-9(10)13(18)19-2/h3-6,8H,7H2,1-2H3,(H2,14,16)(H,15,17)",COC(=O)c1ccccc1NC(=O)C(C)CC(N)=O,C13H16N2O4,pos_1_1proton1ethylamine,264.111006992,VISDUEJJQYPGIZ,Alkaloids,Anthranilic acid alkaloids,Anthranillic acid derivatives,Delphinium omeiense,699546.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium omeiense'],6,0,6.0 33814,1134,-1,,,,0.38368908,ISDB,NNUOUKPPTMCFQE-YHYXMXQVSA-N,"InChI=1S/C12H24N4O2/c1-10(9-17)5-8-16(12(13)14)7-4-3-6-15-11(2)18/h5,17H,3-4,6-9H2,1-2H3,(H3,13,14)(H,15,18)/b10-5-",CC(=O)NCCCCN(C/C=C(/C)CO)C(=N)N,C12H24N4O2,,256.189926008,NNUOUKPPTMCFQE,Alkaloids,Ornithine alkaloids,Polyamines,Galega orientalis,761640.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Galega'],['Galega orientalis'],4,0,5.534756302833557 33766,1133,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.47277948,ISDB,WXLVRXBQCVFTIV-ZKFUMLHISA-N,"InChI=1S/C21H36O7/c1-11-6-7-15(28-25)12(2)21(11)9-8-14(10-21)20(4,5)27-19-18(24)17(23)16(22)13(3)26-19/h11,13-19,22-25H,2,6-10H2,1,3-5H3/t11-,13-,14-,15-,16+,17+,18-,19+,21-/m1/s1",C=C1[C@H](OO)CC[C@@H](C)[C@]12CC[C@@H](C(C)(C)O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1O)C2,C21H36O7,,400.246103492,WXLVRXBQCVFTIV,Terpenoids,Sesquiterpenoids,Spirovetivane sesquiterpenoids,Carthamus oxyacantha,139983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus oxyacanthus'],4,2,6.8911179304122925 33767,1133,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.47277948,ISDB,WXLVRXBQCVFTIV-ZKFUMLHISA-N,"InChI=1S/C21H36O7/c1-11-6-7-15(28-25)12(2)21(11)9-8-14(10-21)20(4,5)27-19-18(24)17(23)16(22)13(3)26-19/h11,13-19,22-25H,2,6-10H2,1,3-5H3/t11-,13-,14-,15-,16+,17+,18-,19+,21-/m1/s1",C=C1[C@H](OO)CC[C@@H](C)[C@]12CC[C@@H](C(C)(C)O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1O)C2,C21H36O7,,400.246103492,WXLVRXBQCVFTIV,Terpenoids,Sesquiterpenoids,Spirovetivane sesquiterpenoids,Carthamus oxyacanthus,139983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus oxyacanthus'],4,2,6.8911179304122925 33760,1132,-1,,,,0.40163144,ISDB,,,,,,,AEOPOJXVDKIMSQ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.6065257787704468 33735,1129,290,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.35858944,ISDB,BNYDLXBTNLOWPZ-YYCMBSPASA-N,"InChI=1S/C42H46O24/c1-14-28(50)32(54)35(57)40(60-14)61-17-10-22(48)27-23(11-17)62-37(16-4-6-19(45)21(47)9-16)38(31(27)53)65-42-39(66-41-36(58)33(55)29(51)24(12-43)63-41)34(56)30(52)25(64-42)13-59-26(49)7-3-15-2-5-18(44)20(46)8-15/h2-11,14,24-25,28-30,32-36,39-48,50-52,54-58H,12-13H2,1H3/b7-3+/t14-,24-,25+,28-,29+,30+,32+,33-,34-,35-,36+,39+,40-,41-,42-/m0/s1",C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@H](COC(=O)/C=C/c5ccc(O)c(O)c5)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(-c4ccc(O)c(O)c4)oc3c2)[C@@H](O)[C@H](O)[C@H]1O,C42H46O24,,934.2379023520002,BNYDLXBTNLOWPZ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Aconitum baicalense,1014257.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum baicalense'],6,3,8.934357762336731 33733,1124,354,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,0.0,MS1_match,QLJNETOQFQXTLI-JKUDBEEXSA-N,"InChI=1S/C26H32O11/c1-32-18-7-12(3-5-16(18)28)24-14-10-35-25(15(14)11-34-24)13-4-6-17(19(8-13)33-2)36-26-23(31)22(30)21(29)20(9-27)37-26/h3-8,14-15,20-31H,9-11H2,1-2H3/t14-,15-,20-,21-,22+,23-,24+,25+,26-/m1/s1",COc1cc([C@@H]2OC[C@@H]3[C@H]2CO[C@H]3c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)ccc1O,C26H32O11,pos_1_sodium,520.1944618439999,QLJNETOQFQXTLI,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Clematis hexapetala,226633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis hexapetala'],8,3,9.5 33734,1124,354,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,0.0,MS1_match,QLJNETOQFQXTLI-JKUDBEEXSA-N,"InChI=1S/C26H32O11/c1-32-18-7-12(3-5-16(18)28)24-14-10-35-25(15(14)11-34-24)13-4-6-17(19(8-13)33-2)36-26-23(31)22(30)21(29)20(9-27)37-26/h3-8,14-15,20-31H,9-11H2,1-2H3/t14-,15-,20-,21-,22+,23-,24+,25+,26-/m1/s1",COc1cc([C@@H]2OC[C@@H]3[C@H]2CO[C@H]3c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)ccc1O,C26H32O11,pos_1_sodium,520.1944618439999,QLJNETOQFQXTLI,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Clematis hexapetala,226633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis hexapetala'],8,3,9.5 33731,1123,1100,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,0.0,MS1_match,AOCLIMDHBMBYGD-NQWMYEDTSA-N,"InChI=1S/C16H28O2/c1-10-8-12(17)13-15(10,4)9-11-6-7-16(13,5)18-14(11,2)3/h10-13,17H,6-9H2,1-5H3/t10-,11-,12-,13-,15-,16+/m1/s1",C[C@@H]1C[C@@H](O)[C@@H]2[C@]1(C)C[C@H]1CC[C@]2(C)OC1(C)C,C16H28O2,pos_2_1proton1sodium,252.208930136,AOCLIMDHBMBYGD,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,3,7.5 33726,1121,-1,,,,0.53835326,ISDB,XDBXJSPSWNIIHW-RJGRQJGLSA-N,"InChI=1S/C34H38O8/c1-21-12-11-17-24-31(21,2)27(40-29(37)22-13-7-5-8-14-22)28(41-30(38)23-15-9-6-10-16-23)33(4)32(24,3)25(35)18-34(42-33)19-26(36)39-20-34/h5-10,13-16,24-25,27-28,35H,1,11-12,17-20H2,2-4H3/t24-,25-,27-,28-,31-,32-,33-,34-/m0/s1",C=C1CCC[C@H]2[C@@]1(C)[C@@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)[C@]1(C)O[C@@]3(COC(=O)C3)C[C@H](O)[C@]21C,C34H38O8,,574.2566681759998,XDBXJSPSWNIIHW,Terpenoids,,,Scutellaria barbata,1093028.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Scutellaria'],['Scutellaria barbata'],4,0,6.1534130573272705 33724,1119,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,XNOOTNIUGJXYKK-RSCBJFFSSA-N,"InChI=1S/C21H28O8/c1-3-4-9-29-20(26)21(27)11-14(19(25)17(24)12-21)15(22)7-5-13-6-8-16(23)18(10-13)28-2/h5-8,10,14,17,19,23-25,27H,3-4,9,11-12H2,1-2H3/b7-5+/t14-,17+,19-,21+/m0/s1",CCCCOC(=O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](C(=O)/C=C/c2ccc(O)c(OC)c2)C1,C21H28O8,pos_1_1proton,408.178417856,XNOOTNIUGJXYKK,,,,Hydrastis canadensis,1072050.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Hydrastis'],['Hydrastis canadensis'],6,0,6.0 33725,1119,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,FXSIWHQTOJDCOQ-JDFJRVMQSA-N,"InChI=1S/C21H28O8/c1-3-4-9-29-20(26)21(27)11-16(24)19(17(25)12-21)15(23)8-6-13-5-7-14(22)18(10-13)28-2/h5-8,10,16-17,19,22,24-25,27H,3-4,9,11-12H2,1-2H3/b8-6+/t16-,17-,19?,21?/m1/s1",CCCCOC(=O)C1(O)C[C@@H](O)C(C(=O)/C=C/c2ccc(O)c(OC)c2)[C@H](O)C1,C21H28O8,pos_1_1proton,408.178417856,FXSIWHQTOJDCOQ,,,,Hydrastis canadensis,1072050.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Hydrastis'],['Hydrastis canadensis'],6,0,6.0 33718,1114,344,Fatty acids,Fatty esters,Wax monoesters,0.517171,ISDB,QTNGLMWAVBOBLJ-RCFZRFIHSA-N,"InChI=1S/C23H41NO2/c1-14(24(4)5)16-8-9-17-15-6-7-19-21(26)20(25)11-13-23(19,3)18(15)10-12-22(16,17)2/h14-21,25-26H,6-13H2,1-5H3/t14-,15-,16+,17-,18-,19-,20-,21-,22+,23+/m0/s1",C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)N(C)C,C23H41NO2,,363.313729552,QTNGLMWAVBOBLJ,Terpenoids,Steroids,Pregnane steroids,Pachysandra terminalis,314708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Pachysandra'],['Pachysandra terminalis'],4,0,6.068684101104736 33719,1114,344,Fatty acids,Fatty esters,Wax monoesters,0.517171,ISDB,QTNGLMWAVBOBLJ-RCFZRFIHSA-N,"InChI=1S/C23H41NO2/c1-14(24(4)5)16-8-9-17-15-6-7-19-21(26)20(25)11-13-23(19,3)18(15)10-12-22(16,17)2/h14-21,25-26H,6-13H2,1-5H3/t14-,15-,16+,17-,18-,19-,20-,21-,22+,23+/m0/s1",C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)N(C)C,C23H41NO2,,363.313729552,QTNGLMWAVBOBLJ,Terpenoids,Steroids,Pregnane steroids,Sarcococca ruscifolia,437379.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Sarcococca'],['Sarcococca ruscifolia'],4,0,6.068684101104736 33720,1114,344,Fatty acids,Fatty esters,Wax monoesters,0.517171,ISDB,QTNGLMWAVBOBLJ-RCFZRFIHSA-N,"InChI=1S/C23H41NO2/c1-14(24(4)5)16-8-9-17-15-6-7-19-21(26)20(25)11-13-23(19,3)18(15)10-12-22(16,17)2/h14-21,25-26H,6-13H2,1-5H3/t14-,15-,16+,17-,18-,19-,20-,21-,22+,23+/m0/s1",C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)N(C)C,C23H41NO2,,363.313729552,QTNGLMWAVBOBLJ,Terpenoids,Steroids,Pregnane steroids,Sarcococca hookeriana,1098650.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Sarcococca'],['Sarcococca hookeriana'],4,0,6.068684101104736 33710,1113,-1,,,,0.0,MS1_match,OCNYGKNIVPVPPX-HWKANZROSA-N,"InChI=1S/C10H10O4/c1-14-10(13)5-3-7-2-4-8(11)9(12)6-7/h2-6,11-12H,1H3/b5-3+",COC(=O)/C=C/c1ccc(O)c(O)c1,C10H10O4,pos_2MNa,194.0579088,OCNYGKNIVPVPPX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera bournei,5746380.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera bournei'],7,0,7.0 33701,1112,-1,,,,0.20524926,ISDB,NBCWSGSBMHILQP-GAGVYUBLSA-N,"InChI=1S/C17H26O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h6-7,12-15,17-22H,3-5,8H2,1-2H3/t12-,13-,14+,15-,17+/m1/s1",COc1cc(CCCO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H26O9,,374.1576824119999,NBCWSGSBMHILQP,,,,Salacia chinensis,380833.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Salacia'],['Salacia chinensis'],6,0,6.820997059345245 33699,1111,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,TZZAKSLHHIJRLL-UHFFFAOYSA-N,"InChI=1S/C8H9NO3/c1-12-7-4-5(8(9)11)2-3-6(7)10/h2-4,10H,1H3,(H2,9,11)",COc1cc(C(N)=O)ccc1O,C8H9NO3,pos_2MK,167.058243148,TZZAKSLHHIJRLL,Alkaloids,Peptide alkaloids,Simple amide alkaloids,Naravelia zeylanica,274607.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Naravelia'],['Naravelia zeylanica'],7,0,7.0 33694,1107,-1,,,,0.72120047,ISDB,UABMFOBSIHSWFQ-AWEZNQCLSA-N,"InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)14-6-11(17)10-5-12(18)13(19)7-15(10)20-14/h1-5,7,14,16,18-19H,6H2/t14-/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)c(O)cc21,C15H12O5,,272.068473484,UABMFOBSIHSWFQ,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Dalbergia odorifera,485024.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Dalbergieae'],['Dalbergia'],['Dalbergia odorifera'],4,0,6.884801864624023 33684,1106,1678,Terpenoids,Triterpenoids,Cycloartane triterpenoids,0.65448815,ISDB,VYTIKIINPOAJCZ-QUUJIHHWSA-N,"InChI=1S/C39H58O11/c1-19-13-39(32-35(7,50-32)18-45-39)49-23-14-34(6)25-10-9-24-33(4,5)26(48-31-30(47-21(3)41)29(43)22(42)16-44-31)11-12-37(24)17-38(25,37)15-27(46-20(2)40)36(34,8)28(19)23/h19,22-32,42-43H,9-18H2,1-8H3/t19-,22-,23+,24+,25+,26+,27-,28+,29+,30-,31+,32-,34+,35-,36-,37-,38+,39+/m1/s1",CC(=O)O[C@H]1[C@H](O[C@H]2CC[C@]34C[C@]35C[C@@H](OC(C)=O)[C@]3(C)[C@H]6[C@H](C)C[C@]7(OC[C@@]8(C)O[C@@H]78)O[C@H]6C[C@@]3(C)[C@@H]5CC[C@H]4C2(C)C)OC[C@@H](O)[C@@H]1O,C39H58O11,,702.397912676,VYTIKIINPOAJCZ,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Actaea cimicifuga,988720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea cimicifuga'],4,3,8.117952585220337 33685,1106,1678,Terpenoids,Triterpenoids,Cycloartane triterpenoids,0.65448815,ISDB,VYTIKIINPOAJCZ-UHFFFAOYSA-N,"InChI=1S/C39H58O11/c1-19-13-39(32-35(7,50-32)18-45-39)49-23-14-34(6)25-10-9-24-33(4,5)26(48-31-30(47-21(3)41)29(43)22(42)16-44-31)11-12-37(24)17-38(25,37)15-27(46-20(2)40)36(34,8)28(19)23/h19,22-32,42-43H,9-18H2,1-8H3",CC(=O)OC1C(OC2CCC34CC35CC(OC(C)=O)C3(C)C6C(C)CC7(OCC8(C)OC87)OC6CC3(C)C5CCC4C2(C)C)OCC(O)C1O,C39H58O11,,702.397912676,VYTIKIINPOAJCZ,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Actaea elata,988729.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea elata'],4,3,8.117952585220337 33680,1100,325,Shikimates and Phenylpropanoids,Flavonoids,Iridoids monoterpenoids,0.0,MS1_match,WEAUPFXXCUHVAE-MKMMZYOTSA-N,"InChI=1S/C26H28O11/c1-3-11(2)26(34)37-25-22(33)21(32)18(10-27)36-24(25)20-15(30)8-14(29)19-16(31)9-17(35-23(19)20)12-4-6-13(28)7-5-12/h4-9,11,18,21-22,24-25,27-30,32-33H,3,10H2,1-2H3/t11-,18+,21+,22-,24-,25+/m0/s1",CC[C@H](C)C(=O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1c1c(O)cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc12,C26H28O11,pos_2_2sodium,516.163161716,WEAUPFXXCUHVAE,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Trollius ledebourii,841872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Adonideae'],['Trollius'],['Trollius ledebouri'],6,2,7.0 33681,1100,325,Shikimates and Phenylpropanoids,Flavonoids,Iridoids monoterpenoids,0.0,MS1_match,WEAUPFXXCUHVAE-MKMMZYOTSA-N,"InChI=1S/C26H28O11/c1-3-11(2)26(34)37-25-22(33)21(32)18(10-27)36-24(25)20-15(30)8-14(29)19-16(31)9-17(35-23(19)20)12-4-6-13(28)7-5-12/h4-9,11,18,21-22,24-25,27-30,32-33H,3,10H2,1-2H3/t11-,18+,21+,22-,24-,25+/m0/s1",CC[C@H](C)C(=O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1c1c(O)cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc12,C26H28O11,pos_2_2sodium,516.163161716,WEAUPFXXCUHVAE,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Trollius ledebouri,841872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Adonideae'],['Trollius'],['Trollius ledebouri'],6,2,7.0 33617,1098,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.59115016,ISDB,RJLAJQDKXWWUNG-UHFFFAOYSA-N,"InChI=1S/C13H18O/c1-8-4-5-9(2)12-11(8)7-6-10(3)13(12)14/h4-5,10,13-14H,6-7H2,1-3H3",Cc1ccc(C)c2c1CCC(C)C2O,C13H18O,,190.135765196,RJLAJQDKXWWUNG,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],4,3,7.864600658416748 33616,1097,-1,,,,0.0,MS1_match,DYNOEUZCEHQMPL-IDPWYUCISA-N,"InChI=1S/C37H50N2O11/c1-7-38-17-33(18-50-31(42)20-10-8-9-11-22(20)39-25(40)14-19(2)30(39)41)13-12-24(47-4)36-28(33)29(49-6)37(45,32(36)38)35(44)16-23(46-3)21-15-34(36,43)27(35)26(21)48-5/h8-11,19,21,23-24,26-29,32,43-45H,7,12-18H2,1-6H3/t19-,21-,23+,24+,26+,27+,28-,29+,32+,33+,34+,35-,36-,37+/m1/s1",CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)C[C@@H](C)C3=O)CC[C@H](OC)[C@@]34[C@@H]2[C@H](OC)[C@](O)([C@@H]13)[C@@]1(O)C[C@H](OC)[C@H]2C[C@]4(O)[C@@H]1[C@H]2OC,C37H50N2O11,pos_1_1proton1ethylamine,698.34146042,DYNOEUZCEHQMPL,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium dissectum,6131641.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium dissectum'],6,0,6.0 33606,1096,32,Terpenoids,Diterpenoids,Halimane diterpenoids,0.33748809,ISDB,BOUHSOCEHRQJNM-UHFFFAOYSA-N,"InChI=1S/C26H41N5/c1-18(12-15-31-17-30(6)24-22(31)23(27)28-16-29-24)11-14-26(5)19(2)9-10-20-21(26)8-7-13-25(20,3)4/h8,12,16,19-20H,7,9-11,13-15,17H2,1-6H3,(H2,27,28,29)",CC(=CCN1CN(C)c2ncnc(N)c21)CCC1(C)C2=CCCC(C)(C)C2CCC1C,C26H41N5,,423.336196312,BOUHSOCEHRQJNM,Terpenoids,Diterpenoids,Halimane diterpenoids,Agelas mauritiana,789573.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Agelasida'],['Agelasidae'],['Unknown'],['Agelas'],['Agelas mauritiana'],1,3,3.8499523401260376 33607,1096,32,Terpenoids,Diterpenoids,Halimane diterpenoids,0.33748809,ISDB,BOUHSOCEHRQJNM-UHFFFAOYSA-N,"InChI=1S/C26H41N5/c1-18(12-15-31-17-30(6)24-22(31)23(27)28-16-29-24)11-14-26(5)19(2)9-10-20-21(26)8-7-13-25(20,3)4/h8,12,16,19-20H,7,9-11,13-15,17H2,1-6H3,(H2,27,28,29)",CC(=CCN1CN(C)c2ncnc(N)c21)CCC1(C)C2=CCCC(C)(C)C2CCC1C,C26H41N5,,423.336196312,BOUHSOCEHRQJNM,Terpenoids,Diterpenoids,Halimane diterpenoids,Agelas nakamurai,828033.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Agelasida'],['Agelasidae'],['Unknown'],['Agelas'],['Agelas nakamurai'],1,3,3.8499523401260376 33531,1091,486,Shikimates and Phenylpropanoids,Cyclic polyketides,Cinnamic acids and derivatives,0.0,MS1_match,RUVINXPYWBROJD-UHFFFAOYSA-N,"InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3",CC=Cc1ccc(OC)cc1,C10H12O,pos_1_1proton1methanol,148.088815004,RUVINXPYWBROJD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,3,7.5 33530,1086,-1,,,,0.6460875,ISDB,SVFYZPAHVKQWTL-UHFFFAOYSA-N,"InChI=1S/C14H12O6/c1-6-3-10-7(5-19-6)12(17)11-8(15)4-9(16)13(18-2)14(11)20-10/h3-4,15-16H,5H2,1-2H3",COc1c(O)cc(O)c2c(=O)c3c(oc12)C=C(C)OC3,C14H12O6,,276.063388104,SVFYZPAHVKQWTL,Polyketides,Chromanes,,Penicillium parvum,361813.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Penicillium'],['Penicillium parvum'],1,0,3.584350109100342 33508,1083,199,Terpenoids,Diterpenoids,Guaiane sesquiterpenoids,0.31788945,ISDB,GCXYZMBESPRGQQ-RQOJZXTJSA-N,"InChI=1S/C24H40O6/c1-15(25)28-14-19(29-16(2)26)24(7)13-17(27)20-22(5)11-8-10-21(3,4)18(22)9-12-23(20,6)30-24/h17-20,27H,8-14H2,1-7H3/t17-,18+,19+,20-,22+,23-,24+/m1/s1",CC(=O)OC[C@H](OC(C)=O)[C@]1(C)C[C@@H](O)[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]2(C)O1,C24H40O6,,424.282489,GCXYZMBESPRGQQ,Terpenoids,Diterpenoids,Labdane diterpenoids,Grindelia tarapacana,178346.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Grindelia'],['Grindelia tarapacana'],4,2,6.271557807922363 33229,1079,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,ZTDLEPCPWDWZOM-IOQDTQQCSA-N,"InChI=1S/C30H26O12/c31-16-6-1-14(2-7-16)3-10-23(35)40-13-22-26(36)28(38)29(39)30(42-22)25-19(34)12-21-24(27(25)37)18(33)11-20(41-21)15-4-8-17(32)9-5-15/h1-12,22,26,28-32,34,36-39H,13H2/b10-3+/t22-,26-,28+,29-,30+/m1/s1",O=C(/C=C/c1ccc(O)cc1)OC[C@H]1O[C@@H](c2c(O)cc3oc(-c4ccc(O)cc4)cc(=O)c3c2O)[C@H](O)[C@@H](O)[C@@H]1O,C30H26O12,pos_1_1proton,578.142426272,ZTDLEPCPWDWZOM,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Clematis rehderiana,289952.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis rehderiana'],8,2,9.0 33230,1079,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,UTUISHMYVAZILQ-UHFFFAOYSA-N,"InChI=1S/C30H26O12/c31-14-24-29(42-25(36)10-3-15-1-6-17(32)7-2-15)27(37)28(38)30(41-24)39-19-11-20(34)26-21(35)13-22(40-23(26)12-19)16-4-8-18(33)9-5-16/h1-13,24,27-34,37-38H,14H2",O=C(C=Cc1ccc(O)cc1)OC1C(CO)OC(Oc2cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc3c2)C(O)C1O,C30H26O12,pos_1_1proton,578.142426272,UTUISHMYVAZILQ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Clematis terniflora,21289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis terniflora'],8,2,9.0 33223,1078,676,Shikimates and Phenylpropanoids,Isoflavonoids,Coumestan,0.90654796,ISDB,LUTYTNLPIUCKBJ-UHFFFAOYSA-N,"InChI=1S/C15H8O7/c16-5-1-9(19)13-11(2-5)22-15(20)12-6-3-7(17)8(18)4-10(6)21-14(12)13/h1-4,16-19H",O=c1oc2cc(O)cc(O)c2c2oc3cc(O)c(O)cc3c12,C15H8O7,,300.027002596,LUTYTNLPIUCKBJ,Shikimates and Phenylpropanoids,Isoflavonoids,Coumestan,Eclipta prostrata,189995.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Eclipta'],['Eclipta prostrata'],4,3,9.126191854476929 33224,1078,676,Shikimates and Phenylpropanoids,Isoflavonoids,Coumestan,0.90654796,ISDB,LUTYTNLPIUCKBJ-UHFFFAOYSA-N,"InChI=1S/C15H8O7/c16-5-1-9(19)13-11(2-5)22-15(20)12-6-3-7(17)8(18)4-10(6)21-14(12)13/h1-4,16-19H",O=c1oc2cc(O)cc(O)c2c2oc3cc(O)c(O)cc3c12,C15H8O7,,300.027002596,LUTYTNLPIUCKBJ,Shikimates and Phenylpropanoids,Isoflavonoids,Coumestan,Eclipta alba,6059538.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Eclipta'],['Eclipta alba'],4,3,9.126191854476929 33225,1078,676,Shikimates and Phenylpropanoids,Isoflavonoids,Coumestan,0.90654796,ISDB,LUTYTNLPIUCKBJ-UHFFFAOYSA-N,"InChI=1S/C15H8O7/c16-5-1-9(19)13-11(2-5)22-15(20)12-6-3-7(17)8(18)4-10(6)21-14(12)13/h1-4,16-19H",O=c1oc2cc(O)cc(O)c2c2oc3cc(O)c(O)cc3c12,C15H8O7,,300.027002596,LUTYTNLPIUCKBJ,Shikimates and Phenylpropanoids,Isoflavonoids,Coumestan,Sphagneticola calendulacea,599499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Sphagneticola'],['Sphagneticola calendulacea'],4,3,9.126191854476929 33226,1078,676,Shikimates and Phenylpropanoids,Isoflavonoids,Coumestan,0.90654796,ISDB,LUTYTNLPIUCKBJ-UHFFFAOYSA-N,"InChI=1S/C15H8O7/c16-5-1-9(19)13-11(2-5)22-15(20)12-6-3-7(17)8(18)4-10(6)21-14(12)13/h1-4,16-19H",O=c1oc2cc(O)cc(O)c2c2oc3cc(O)c(O)cc3c12,C15H8O7,,300.027002596,LUTYTNLPIUCKBJ,Shikimates and Phenylpropanoids,Isoflavonoids,Coumestan,Hypericum erectum,304180.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Hypericaceae'],['Hypericeae'],['Hypericum'],['Hypericum erectum'],4,3,9.126191854476929 33222,1076,-1,,,,0.0,MS1_match,HSUIVCLOAAJSRE-UHFFFAOYSA-N,"InChI=1S/C14H18O6/c1-17-7-9-19-13(15)11-5-3-4-6-12(11)14(16)20-10-8-18-2/h3-6H,7-10H2,1-2H3",COCCOC(=O)c1ccccc1C(=O)OCCOC,C14H18O6,pos_1_sodium,282.110338296,HSUIVCLOAAJSRE,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 33221,1071,7,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.33018956,ISDB,IVXAFGQCCBSPRS-VOXVIXIFSA-N,"InChI=1S/C31H47NO10/c1-16(12-13-21-19(4)23(34)27(38-7)29(32-21)39-8)10-9-11-17(2)14-18(3)28(31(6)20(5)42-31)41-30-26(37)25(36)24(35)22(15-33)40-30/h9,11-12,14,18,20,22,24-26,28,30,33,35-37H,10,13,15H2,1-8H3,(H,32,34)/b11-9+,16-12+,17-14+/t18-,20-,22-,24-,25+,26-,28-,30+,31+/m1/s1",COc1nc(C/C=C(\C)C/C=C/C(C)=C/[C@@H](C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@]2(C)O[C@@H]2C)c(C)c(O)c1OC,C31H47NO10,,593.3199967039999,IVXAFGQCCBSPRS,Polyketides,,,Streptomyces,772892.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Unknown'],0,0,1.3207582235336304 33213,1068,199,Terpenoids,Diterpenoids,Guaiane sesquiterpenoids,0.25550663,ISDB,JXSVEQRKDLWCKF-CCJDVNBRSA-N,"InChI=1S/C32H42O5/c1-17-10-12-31(5)13-11-22-23(29(34)36-27(22)25(31)14-17)16-32(15-20(4)33)24-9-7-18(2)21-8-6-19(3)26(21)28(24)37-30(32)35/h10,21-28H,2-3,6-9,11-16H2,1,4-5H3/t21-,22?,23-,24+,25+,26-,27-,28-,31+,32+/m0/s1",C=C1CC[C@H]2C(=C)CC[C@@H]3[C@H](OC(=O)[C@]3(CC(C)=O)C[C@@H]3C(=O)O[C@H]4C3CC[C@@]3(C)CC=C(C)C[C@H]43)[C@@H]12,C32H42O5,,506.303224444,JXSVEQRKDLWCKF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Dolomiaea souliei,416979.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Dolomiaea'],['Dolomiaea souliei'],4,3,6.522026538848877 33212,1067,-1,,,,0.0,MS1_match,KISTVNFIXBOXIR-UHFFFAOYSA-N,"InChI=1S/C53H88O21/c1-23(19-67-46-41(64)38(61)36(59)30(72-46)21-69-45-40(63)34(57)28(56)20-68-45)8-9-27(55)24(2)26-12-14-51(7)32-11-10-31-49(4,5)33(13-15-52(31)22-53(32,52)17-16-50(26,51)6)73-47-43(66)39(62)44(25(3)70-47)74-48-42(65)37(60)35(58)29(18-54)71-48/h8,24-48,54-66H,9-22H2,1-7H3",CC(=CCC(O)C(C)C1CCC2(C)C3CCC4C(C)(C)C(OC5OC(C)C(OC6OC(CO)C(O)C(O)C6O)C(O)C5O)CCC45CC35CCC12C)COC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O,C53H88O21,pos_3_1proton2sodium,1060.581809836,KISTVNFIXBOXIR,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Thalictrum fortunei,5728049.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum fortunei'],6,0,6.0 33211,1065,867,,,,0.24652667,ISDB,,,,,,,XMLQEJGSKUOKGP,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.9861066937446594 33196,1061,-1,,,,0.0,MS1_match,VTSMNIMXMILUTB-SNRVRTNWSA-N,"InChI=1S/C30H38O5/c1-26-11-12-27(2,25(34)35-6)16-23(26)29(4)10-8-21-19-15-22(32)24(33)20(17-31)18(19)7-9-28(21,3)30(29,5)14-13-26/h7-9,15,17,23,32-33H,10-14,16H2,1-6H3/t23-,26+,27+,28+,29-,30+/m0/s1",COC(=O)[C@]1(C)CC[C@]2(C)CC[C@@]3(C)[C@@](C)(CC=C4c5cc(O)c(O)c(C=O)c5C=C[C@]43C)[C@H]2C1,C30H38O5,pos_1_1proton1ammonium,478.2719243159999,VTSMNIMXMILUTB,Polyketides,Meroterpenoids,,Kokoona zeylanica,6092887.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Kokoona'],['Kokoona zeylanica'],6,0,6.0 33197,1061,-1,,,,0.0,MS1_match,GNNQINKXWHFSIK-FQYKMUNDSA-N,"InChI=1S/C30H41NO5/c1-5-31-16-28(2)12-11-23(36-27(32)17-9-7-6-8-10-17)30-19-13-18-21(34-3)15-29(33,24(19)25(18)35-4)20(26(30)31)14-22(28)30/h6-10,18-26,33H,5,11-16H2,1-4H3/t18-,19-,20+,21+,22-,23+,24-,25+,26-,28-,29+,30-/m1/s1",CCN1C[C@@]2(C)CC[C@H](OC(=O)c3ccccc3)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C30H41NO5,pos_1_1proton,495.298473412,GNNQINKXWHFSIK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum karakolicum,44345.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum karakolicum'],6,0,6.0 33198,1061,-1,,,,0.0,MS1_match,MTZSYUQVIKIBDX-KLGNMXTRSA-N,"InChI=1S/C30H38O5/c1-17-18-8-9-21-27(3,19(18)14-20(31)24(17)33)11-13-30(6)22-15-28(4,25(34)35-7)23(32)16-26(22,2)10-12-29(21,30)5/h8-9,14,22,33H,10-13,15-16H2,1-7H3/t22-,26+,27+,28+,29-,30+/m1/s1",COC(=O)[C@@]1(C)C[C@@H]2[C@@](C)(CC[C@]3(C)C4=CC=C5C(=CC(=O)C(O)=C5C)[C@]4(C)CC[C@@]23C)CC1=O,C30H38O5,pos_1_1proton1ammonium,478.2719243159999,MTZSYUQVIKIBDX,Terpenoids,Triterpenoids,,Maytenus retusa,7631457.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Monteverdia'],['Monteverdia retusa'],6,0,6.0 33199,1061,-1,,,,0.0,MS1_match,MTZSYUQVIKIBDX-KLGNMXTRSA-N,"InChI=1S/C30H38O5/c1-17-18-8-9-21-27(3,19(18)14-20(31)24(17)33)11-13-30(6)22-15-28(4,25(34)35-7)23(32)16-26(22,2)10-12-29(21,30)5/h8-9,14,22,33H,10-13,15-16H2,1-7H3/t22-,26+,27+,28+,29-,30+/m1/s1",COC(=O)[C@@]1(C)C[C@@H]2[C@@](C)(CC[C@]3(C)C4=CC=C5C(=CC(=O)C(O)=C5C)[C@]4(C)CC[C@@]23C)CC1=O,C30H38O5,pos_1_1proton1ammonium,478.2719243159999,MTZSYUQVIKIBDX,Terpenoids,Triterpenoids,,Monteverdia retusa,7631457.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Monteverdia'],['Monteverdia retusa'],6,0,6.0 33200,1061,-1,,,,0.0,MS1_match,AKILTDMBUDIAST-KILMDDQQSA-N,"InChI=1S/C30H38O5/c1-16-13-27(3)15-23(32)30(6,26(34)35-7)14-22(27)29(5)11-10-28(4)19(24(16)29)9-8-18-17(2)25(33)21(31)12-20(18)28/h8-9,12,22-23,32-33H,10-11,13-15H2,1-7H3/t22-,23+,27+,28-,29+,30+/m1/s1",COC(=O)[C@@]1(C)C[C@@H]2[C@@](C)(CC(C)=C3C4=CC=C5C(=CC(=O)C(O)=C5C)[C@]4(C)CC[C@]32C)C[C@@H]1O,C30H38O5,pos_1_1proton1ammonium,478.271924316,AKILTDMBUDIAST,Terpenoids,Triterpenoids,,Cheiloclinium cognatum,583081.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Cheiloclinium'],['Cheiloclinium cognatum'],6,0,6.0 33201,1061,-1,,,,0.0,MS1_match,AKILTDMBUDIAST-NQEVMONISA-N,"InChI=1S/C30H38O5/c1-16-13-27(3)15-23(32)30(6,26(34)35-7)14-22(27)29(5)11-10-28(4)19(24(16)29)9-8-18-17(2)25(33)21(31)12-20(18)28/h8-9,12,22-23,32-33H,10-11,13-15H2,1-7H3/t22-,23-,27-,28+,29-,30-/m0/s1",COC(=O)[C@@]1(C)C[C@H]2[C@@](C)(CC(C)=C3C4=CC=C5C(=CC(=O)C(O)=C5C)[C@]4(C)CC[C@]32C)C[C@@H]1O,C30H38O5,pos_1_1proton1ammonium,478.271924316,AKILTDMBUDIAST,Terpenoids,Triterpenoids,,Orthosphenia mexicana,755524.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Orthosphenia'],['Orthosphenia mexicana'],6,0,6.0 33202,1061,-1,,,,0.0,MS1_match,AKILTDMBUDIAST-KILMDDQQSA-N,"InChI=1S/C30H38O5/c1-16-13-27(3)15-23(32)30(6,26(34)35-7)14-22(27)29(5)11-10-28(4)19(24(16)29)9-8-18-17(2)25(33)21(31)12-20(18)28/h8-9,12,22-23,32-33H,10-11,13-15H2,1-7H3/t22-,23+,27+,28-,29+,30+/m1/s1",COC(=O)[C@@]1(C)C[C@@H]2[C@@](C)(CC(C)=C3C4=CC=C5C(=CC(=O)C(O)=C5C)[C@]4(C)CC[C@]32C)C[C@@H]1O,C30H38O5,pos_1_1proton1ammonium,478.271924316,AKILTDMBUDIAST,Terpenoids,Triterpenoids,,Salacia cordata,321783.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Salacia'],['Salacia cordata'],6,0,6.0 33203,1061,-1,,,,0.0,MS1_match,AKILTDMBUDIAST-KILMDDQQSA-N,"InChI=1S/C30H38O5/c1-16-13-27(3)15-23(32)30(6,26(34)35-7)14-22(27)29(5)11-10-28(4)19(24(16)29)9-8-18-17(2)25(33)21(31)12-20(18)28/h8-9,12,22-23,32-33H,10-11,13-15H2,1-7H3/t22-,23+,27+,28-,29+,30+/m1/s1",COC(=O)[C@@]1(C)C[C@@H]2[C@@](C)(CC(C)=C3C4=CC=C5C(=CC(=O)C(O)=C5C)[C@]4(C)CC[C@]32C)C[C@@H]1O,C30H38O5,pos_1_1proton1ammonium,478.271924316,AKILTDMBUDIAST,Terpenoids,Triterpenoids,,Salacia petenensis,578095.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Salacia'],['Salacia petenensis'],6,0,6.0 33204,1061,-1,,,,0.0,MS1_match,XIOMLVAPKXPLRW-UHFFFAOYSA-N,"InChI=1S/C28H38O5/c1-14-11-19-26(4,24(33)22(14)31)8-10-28(6)20-13-17(29)21-15(2)23(32)18(30)12-16(21)25(20,3)7-9-27(19,28)5/h12,14,19-20,24,30,32-33H,7-11,13H2,1-6H3",Cc1c(O)c(O)cc2c1C(=O)CC1C2(C)CCC2(C)C3CC(C)C(=O)C(O)C3(C)CCC12C,C28H38O5,pos_1_1proton1acetonitrile,454.271924316,XIOMLVAPKXPLRW,Terpenoids,Triterpenoids,Friedelane triterpenoids,Maytenus retusa,7631457.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Monteverdia'],['Monteverdia retusa'],6,0,6.0 33205,1061,-1,,,,0.0,MS1_match,XIOMLVAPKXPLRW-VUTOXQPKSA-N,"InChI=1S/C28H38O5/c1-14-11-19-26(4,24(33)22(14)31)8-10-28(6)20-13-17(29)21-15(2)23(32)18(30)12-16(21)25(20,3)7-9-27(19,28)5/h12,14,19-20,24,30,32-33H,7-11,13H2,1-6H3/t14-,19-,20+,24-,25+,26-,27+,28-/m1/s1",Cc1c(O)c(O)cc2c1C(=O)C[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@@H](C)C(=O)[C@@H](O)[C@]3(C)CC[C@]12C,C28H38O5,pos_1_1proton1acetonitrile,454.271924316,XIOMLVAPKXPLRW,Terpenoids,Triterpenoids,Friedelane triterpenoids,Monteverdia retusa,7631457.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Monteverdia'],['Monteverdia retusa'],6,0,6.0 33206,1061,-1,,,,0.0,MS1_match,XIOMLVAPKXPLRW-VUTOXQPKSA-N,"InChI=1S/C28H38O5/c1-14-11-19-26(4,24(33)22(14)31)8-10-28(6)20-13-17(29)21-15(2)23(32)18(30)12-16(21)25(20,3)7-9-27(19,28)5/h12,14,19-20,24,30,32-33H,7-11,13H2,1-6H3/t14-,19-,20+,24-,25+,26-,27+,28-/m1/s1",Cc1c(O)c(O)cc2c1C(=O)C[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@@H](C)C(=O)[C@@H](O)[C@]3(C)CC[C@]12C,C28H38O5,pos_1_1proton1acetonitrile,454.271924316,XIOMLVAPKXPLRW,Terpenoids,Triterpenoids,Friedelane triterpenoids,Monteverdia amazonica,6092911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Monteverdia'],['Monteverdia amazonica'],6,0,6.0 33207,1061,-1,,,,0.0,MS1_match,XIOMLVAPKXPLRW-VUTOXQPKSA-N,"InChI=1S/C28H38O5/c1-14-11-19-26(4,24(33)22(14)31)8-10-28(6)20-13-17(29)21-15(2)23(32)18(30)12-16(21)25(20,3)7-9-27(19,28)5/h12,14,19-20,24,30,32-33H,7-11,13H2,1-6H3/t14-,19-,20+,24-,25+,26-,27+,28-/m1/s1",Cc1c(O)c(O)cc2c1C(=O)C[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@@H](C)C(=O)[C@@H](O)[C@]3(C)CC[C@]12C,C28H38O5,pos_1_1proton1acetonitrile,454.271924316,XIOMLVAPKXPLRW,Terpenoids,Triterpenoids,Friedelane triterpenoids,Maytenus amazonica,6092911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Monteverdia'],['Monteverdia amazonica'],6,0,6.0 33208,1061,-1,,,,0.0,MS1_match,AXTDWQFUQQFNPB-HPSZYYLOSA-N,"InChI=1S/C28H38O5/c1-16-14-21-26(4,24(32)23(16)31)11-13-27(5)20-9-8-18(17(2)29)19(15-22(30)33-7)25(20,3)10-12-28(21,27)6/h8-9,15-16,21,24,32H,10-14H2,1-7H3/b19-15+/t16-,21-,24-,25+,26-,27-,28+/m1/s1",COC(=O)/C=C1\C(C(C)=O)=CC=C2[C@@]1(C)CC[C@@]1(C)[C@@H]3C[C@@H](C)C(=O)[C@@H](O)[C@]3(C)CC[C@]21C,C28H38O5,pos_1_1proton1acetonitrile,454.271924316,AXTDWQFUQQFNPB,Terpenoids,Triterpenoids,Friedelane triterpenoids,Tripterygium wilfordii,300831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium wilfordii'],6,0,6.0 33209,1061,-1,,,,0.0,MS1_match,RULSDOXKRPWOHN-HPEBJJJSSA-N,"InChI=1S/C28H38O5/c1-16(29)17-9-10-19-25(4,18(17)15-20(30)33-8)11-14-28(7)23-24(2,3)21(31)22(32)26(23,5)12-13-27(19,28)6/h9-10,15,22-23,32H,11-14H2,1-8H3/b18-15-/t22-,23-,25+,26+,27-,28+/m1/s1",COC(=O)/C=C1/C(C(C)=O)=CC=C2[C@@]1(C)CC[C@@]1(C)[C@@H]3C(C)(C)C(=O)[C@@H](O)[C@]3(C)CC[C@]21C,C28H38O5,pos_1_1proton1acetonitrile,454.271924316,RULSDOXKRPWOHN,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Tripterygium wilfordii,300831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium wilfordii'],6,0,6.0 33210,1061,-1,,,,0.0,MS1_match,XQNCHKOLFLXEDX-GDRWMMEVSA-N,"InChI=1S/C28H38O5/c1-14-11-20-26(4,24(33)21(14)31)8-10-28(6)23-19(30)12-16-15(2)22(32)18(29)13-17(16)25(23,3)7-9-27(20,28)5/h12-14,19-20,23-24,30,32-33H,7-11H2,1-6H3/t14-,19-,20-,23+,24-,25+,26-,27+,28-/m1/s1",CC1=C(O)C(=O)C=C2C1=C[C@@H](O)[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@@H](C)C(=O)[C@@H](O)[C@]3(C)CC[C@]12C,C28H38O5,pos_1_1proton1acetonitrile,454.271924316,XQNCHKOLFLXEDX,Terpenoids,Triterpenoids,Friedelane triterpenoids,Monteverdia macrocarpa,7631453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Monteverdia'],['Monteverdia macrocarpa'],6,0,6.0 33186,1056,7,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.40075904,ISDB,PENUWXDRGVMHGY-BRSBDYLESA-N,"InChI=1S/C20H36O6/c1-3-5-7-9-17-11-15(21)13-20(24)26-18(10-8-6-4-2)12-16(22)14-19(23)25-17/h15-18,21-22H,3-14H2,1-2H3/t15-,16-,17-,18-/m1/s1",CCCCC[C@@H]1C[C@@H](O)CC(=O)O[C@H](CCCCC)C[C@@H](O)CC(=O)O1,C20H36O6,,372.2511888719999,PENUWXDRGVMHGY,Polyketides,,,Verbascum undulatum,6075297.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Scrophulariaceae'],['Scrophularieae'],['Verbascum'],['Verbascum undulatum'],4,0,5.603036165237427 33175,1054,632,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,LJYVUWQWNJKRNS-SXTZIVMFSA-N,"InChI=1S/C24H33NO4/c1-5-25-11-22(4)7-6-19(28)24-17(22)8-15(20(24)25)23-10-14(16(27)9-18(23)24)12(2)21(23)29-13(3)26/h14-15,17-21,28H,2,5-11H2,1,3-4H3/t14-,15+,17-,18-,19-,20-,21-,22+,23+,24+/m1/s1",C=C1[C@H]2C[C@@]3([C@@H]1OC(C)=O)[C@@H](CC2=O)[C@@]12[C@H](O)CC[C@@]4(C)CN(CC)[C@@H]1[C@@H]3C[C@H]42,C24H33NO4,pos_1_minus1proton2potassium,399.240958536,LJYVUWQWNJKRNS,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Aconitum firmum,5737794.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum firmum'],6,1,6.5 33176,1054,632,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,LJYVUWQWNJKRNS-UHFFFAOYSA-N,"InChI=1S/C24H33NO4/c1-5-25-11-22(4)7-6-19(28)24-17(22)8-15(20(24)25)23-10-14(16(27)9-18(23)24)12(2)21(23)29-13(3)26/h14-15,17-21,28H,2,5-11H2,1,3-4H3",C=C1C2CC3(C1OC(C)=O)C1CC4C5(C)CCC(O)C4(C1N(CC)C5)C3CC2=O,C24H33NO4,pos_1_minus1proton2potassium,399.240958536,LJYVUWQWNJKRNS,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Aconitum soongoricum,6131511.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum soongoricum'],6,1,6.5 33177,1054,632,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,LJYVUWQWNJKRNS-SXTZIVMFSA-N,"InChI=1S/C24H33NO4/c1-5-25-11-22(4)7-6-19(28)24-17(22)8-15(20(24)25)23-10-14(16(27)9-18(23)24)12(2)21(23)29-13(3)26/h14-15,17-21,28H,2,5-11H2,1,3-4H3/t14-,15+,17-,18-,19-,20-,21-,22+,23+,24+/m1/s1",C=C1[C@H]2C[C@@]3([C@@H]1OC(C)=O)[C@@H](CC2=O)[C@@]12[C@H](O)CC[C@@]4(C)CN(CC)[C@@H]1[C@@H]3C[C@H]42,C24H33NO4,pos_1_minus1proton2potassium,399.240958536,LJYVUWQWNJKRNS,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Aconitum soongaricum,5143682.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum soongaricum'],6,1,6.5 33173,1051,-1,,,,0.0,MS1_match,YFNGFDLAUMVQDZ-YSZGHJDFSA-N,"InChI=1S/C43H48N2O10/c1-45-14-12-28-31(21-38(49-4)43(53-8)42(28)52-7)33(45)16-26-10-9-25(40(50-5)41(26)51-6)15-27-18-36-37(55-23-54-36)19-29(27)32(22-46)39-30-20-35(48-3)34(47-2)17-24(30)11-13-44-39/h9-10,17-22,33,44H,11-16,23H2,1-8H3/b39-32+/t33-/m1/s1",COc1cc2c(cc1OC)/C(=C(/C=O)c1cc3c(cc1Cc1ccc(C[C@@H]4c5cc(OC)c(OC)c(OC)c5CCN4C)c(OC)c1OC)OCO3)NCC2,C43H48N2O10,pos_2_1proton1potassium,752.330895736,YFNGFDLAUMVQDZ,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Isopyrum thalictroides,949657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Isopyrum'],['Isopyrum thalictroides'],6,0,6.0 33174,1051,-1,,,,0.0,MS1_match,JPDSPHUAHNLFAY-CONSDPRKSA-N,"InChI=1S/C43H48N2O10/c1-23(46)53-36-21-28-26(18-34(36)49-6)12-14-44(3)30(28)16-25-10-11-32(48-5)35(17-25)55-33-22-38(51-8)43(54-24(2)47)40-29(33)20-31-39-27(13-15-45(31)4)19-37(50-7)42(52-9)41(39)40/h10-11,17-19,21-22,30-31H,12-16,20H2,1-9H3/t30-,31-/m0/s1",COc1cc2c(cc1OC(C)=O)[C@H](Cc1ccc(OC)c(Oc3cc(OC)c(OC(C)=O)c4c3C[C@H]3c5c(cc(OC)c(OC)c5-4)CCN3C)c1)N(C)CC2,C43H48N2O10,pos_2_1proton1potassium,752.330895736,JPDSPHUAHNLFAY,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Thalictrum tuberiferum,338809.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum tuberiferum'],6,0,6.0 33161,1050,602,Shikimates and Phenylpropanoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,XPMOQRHVZJDUKK-SWZHBTMOSA-N,"InChI=1S/C16H24O8/c1-2-9-10-3-4-21-6-8(10)7-22-15(9)24-16-14(20)13(19)12(18)11(5-17)23-16/h2,7,9-20H,1,3-6H2/t9-,10-,11-,12-,13+,14-,15+,16+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2COCC[C@H]21,C16H24O8,pos_1_1potassium,344.1471177279999,XPMOQRHVZJDUKK,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 33159,1049,58,Polyketides,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,QUZHZFAQJATMCA-QAZQWDDOSA-N,"InChI=1S/C45H74O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,38-39,42-46,49-51H,3-4,9-10,15-16,21-37H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t38-,39-,42+,43+,44-,45-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C45H74O10,pos_1_1proton1ammonium,774.5281985680001,QUZHZFAQJATMCA,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Ranunculus fluitans,961752.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus fluitans'],6,3,7.5 33160,1049,58,Polyketides,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,QUZHZFAQJATMCA-QAZQWDDOSA-N,"InChI=1S/C45H74O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,38-39,42-46,49-51H,3-4,9-10,15-16,21-37H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t38-,39-,42+,43+,44-,45-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C45H74O10,pos_1_1proton1ammonium,774.5281985680001,QUZHZFAQJATMCA,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Ranunculus fluitans,961752.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus fluitans'],6,3,7.5 33141,1048,7,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.59388983,ISDB,KFTJQBMBWGAXNI-HCLFTBTMSA-N,"InChI=1S/C27H34O2/c1-24(2)21-11-13-27-12-10-20(26(4,29)17-27)15-22(27)25(21,3)16-19(23(24)28)14-18-8-6-5-7-9-18/h5-10,12,14,20-22,29H,11,13,15-17H2,1-4H3/b19-14+/t20-,21+,22-,25+,26-,27+/m0/s1",CC1(C)C(=O)/C(=C/c2ccccc2)C[C@]2(C)[C@@H]1CC[C@@]13C=C[C@@H](C[C@H]12)[C@@](C)(O)C3,C27H34O2,,390.255880328,KFTJQBMBWGAXNI,Terpenoids,Diterpenoids,Atisane diterpenoids,Androstachys johnsonii,510615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Picrodendraceae'],['Unknown'],['Androstachys'],['Androstachys johnsonii'],4,1,6.875559329986572 33140,1046,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,GJOKUHOJKKOIEW-UHFFFAOYSA-N,"InChI=1S/C12H14O6/c1-7(4-13)12(17)3-11(18-8(2)16)9(5-14)10(12)6-15/h4,6,11,14,17H,1,3,5H2,2H3",C=C(C=O)C1(O)CC(OC(C)=O)C(CO)=C1C=O,C12H14O6,pos_1_1proton1methanol,254.079038168,GJOKUHOJKKOIEW,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,0,6.0 33130,1045,1758,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,VWDLOXMZIGUBKM-AUGXRQBFSA-N,"InChI=1S/C35H58O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h8-10,20-22,24-33,36-39H,7,11-19H2,1-6H3/b9-8+/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H58O6,pos_1_1sodium1acetonitrile,574.423339576,VWDLOXMZIGUBKM,Terpenoids,Steroids,Stigmastane steroids,Eriocapitella tomentosa,5737682.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Anemone'],['Anemone tomentosa'],7,3,8.5 33131,1045,1758,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,VWDLOXMZIGUBKM-AUGXRQBFSA-N,"InChI=1S/C35H58O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h8-10,20-22,24-33,36-39H,7,11-19H2,1-6H3/b9-8+/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H58O6,pos_1_1sodium1acetonitrile,574.423339576,VWDLOXMZIGUBKM,Terpenoids,Steroids,Stigmastane steroids,Eriocapitella tomentosa,5737682.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Anemone'],['Anemone tomentosa'],7,3,8.5 33051,1041,53,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.26170954,ISDB,JJRYPZMXNLLZFH-URWSZGRFSA-N,"InChI=1S/C13H18O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,16H,8H2,1-4H3/b6-5+/t13-/m1/s1",CC(=O)/C=C/[C@@]1(O)C(C)=CC(=O)CC1(C)C,C13H18O3,,222.125594436,JJRYPZMXNLLZFH,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Tripterygium regelii,483028.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium regelii'],6,3,8.546838164329529 33052,1041,53,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.26170954,ISDB,JJRYPZMXNLLZFH-URWSZGRFSA-N,"InChI=1S/C13H18O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,16H,8H2,1-4H3/b6-5+/t13-/m1/s1",CC(=O)/C=C/[C@@]1(O)C(C)=CC(=O)CC1(C)C,C13H18O3,,222.125594436,JJRYPZMXNLLZFH,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Tripterygium wilfordii,300831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium wilfordii'],6,3,8.546838164329529 33050,1039,-1,,,,0.38722184,ISDB,,,,,,,HFQPKOQLZSCHPI,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.5488873720169067 32944,1037,431,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.42045614,ISDB,LJEHGUMLAXBRJI-GYPOYYOSSA-N,"InChI=1S/C30H26O14/c31-10-3-17(36)23-22(4-10)43-28(9-1-19(38)26(41)20(39)2-9)27(42)25(23)24-18(37)8-14(33)12-6-21(40)29(44-30(12)24)11-5-15(34)16(35)7-13(11)32/h1-5,7-8,21,25,27-29,31-42H,6H2/t21-,25-,27-,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1cc(O)c(O)cc1O)[C@H](O)C2,C30H26O14,,610.132255512,LJEHGUMLAXBRJI,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Limonium gmelinii,387499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Plumbaginaceae'],['Unknown'],['Limonium'],['Limonium gmelinii'],4,3,7.181824564933777 32928,1035,-1,,,,0.33430687,ISDB,FGPOGAUCGOZVPS-XBLVEGMJSA-N,"InChI=1S/C18H26O/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(19)16-14-17/h7-10,13-16,19H,2-6,11-12H2,1H3/b8-7+,10-9+",CCCCCC/C=C/C=C/CCc1ccc(O)cc1,C18H26O,,258.198365452,FGPOGAUCGOZVPS,Polyketides,Aromatic polyketides,Catechols with side chains,Piper villiramulum,865488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper villiramulum'],4,0,5.337227463722229 32927,1034,-1,,,,0.0,MS1_match,VTCDZPUMZAZMSB-UHFFFAOYSA-N,"InChI=1S/C9H12O4/c1-11-7-4-6(10)5-8(12-2)9(7)13-3/h4-5,10H,1-3H3",COc1cc(O)cc(OC)c1OC,C9H12O4,pos_2MHNH3,184.073558864,VTCDZPUMZAZMSB,,,,Tripterygium wilfordii,300831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium wilfordii'],6,0,6.0 32925,1033,-1,,,,0.0,MS1_match,NBCWSGSBMHILQP-GAGVYUBLSA-N,"InChI=1S/C17H26O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h6-7,12-15,17-22H,3-5,8H2,1-2H3/t12-,13-,14+,15-,17+/m1/s1",COc1cc(CCCO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H26O9,pos_1_1proton1ammonium,374.1576824119999,NBCWSGSBMHILQP,,,,Salacia chinensis,380833.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Salacia'],['Salacia chinensis'],6,0,6.0 32926,1033,-1,,,,0.0,MS1_match,NBCWSGSBMHILQP-GAGVYUBLSA-N,"InChI=1S/C17H26O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h6-7,12-15,17-22H,3-5,8H2,1-2H3/t12-,13-,14+,15-,17+/m1/s1",COc1cc(CCCO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H26O9,pos_1_1proton1ammonium,374.1576824119999,NBCWSGSBMHILQP,,,,Salacia chinensis,380833.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Salacia'],['Salacia chinensis'],6,0,6.0 32923,1032,677,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,FOHXFLPXBUAOJM-MGMURXEASA-N,"InChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2/t12-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O13,pos_1_1proton,480.0903907,FOHXFLPXBUAOJM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Catha edulis,282743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Catha'],['Catha edulis'],6,3,7.5 32924,1032,677,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,FOHXFLPXBUAOJM-MGMURXEASA-N,"InChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2/t12-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O13,pos_1_1proton,480.0903907,FOHXFLPXBUAOJM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Catha edulis,282743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Catha'],['Catha edulis'],6,3,7.5 32921,1029,1023,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,XPMOQRHVZJDUKK-SWZHBTMOSA-N,"InChI=1S/C16H24O8/c1-2-9-10-3-4-21-6-8(10)7-22-15(9)24-16-14(20)13(19)12(18)11(5-17)23-16/h2,7,9-20H,1,3-6H2/t9-,10-,11-,12-,13+,14-,15+,16+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2COCC[C@H]21,C16H24O8,pos_2_1proton1sodium,344.1471177279999,XPMOQRHVZJDUKK,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 32903,1027,80,Terpenoids,Tryptophan alkaloids,Carbazole alkaloids,0.0,MS1_match,KLBGJKBYPWKZDT-OBYWQNJGSA-N,"InChI=1S/C33H38O11/c1-20(34)40-19-32-25(41-21(2)35)13-15-31(5,38)33(32)28(43-29(37)23-14-16-39-18-23)24(30(3,4)44-33)17-26(32)42-27(36)12-11-22-9-7-6-8-10-22/h6-12,14,16,18,24-26,28,38H,13,15,17,19H2,1-5H3/b12-11+/t24-,25+,26+,28-,31+,32+,33+/m1/s1",CC(=O)OC[C@@]12[C@@H](OC(C)=O)CC[C@](C)(O)[C@]13OC(C)(C)[C@H](C[C@@H]2OC(=O)/C=C/c1ccccc1)[C@H]3OC(=O)c1ccoc1,C33H38O11,pos_1_1proton,610.241412036,KLBGJKBYPWKZDT,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Euonymus nanoides,5513354.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus nanoides'],7,1,7.5 32904,1027,80,Terpenoids,Tryptophan alkaloids,Carbazole alkaloids,0.0,MS1_match,ZYDOFCQFZCENDE-PFUPTIRUSA-N,"InChI=1S/C33H38O11/c1-20(34)40-19-32-25(43-29(37)23-14-16-39-18-23)13-15-31(5,38)33(32)28(41-21(2)35)24(30(3,4)44-33)17-26(32)42-27(36)12-11-22-9-7-6-8-10-22/h6-12,14,16,18,24-26,28,38H,13,15,17,19H2,1-5H3/b12-11+/t24-,25+,26-,28-,31+,32+,33+/m1/s1",CC(=O)OC[C@@]12[C@@H](OC(=O)c3ccoc3)CC[C@](C)(O)[C@]13OC(C)(C)[C@H](C[C@H]2OC(=O)/C=C/c1ccccc1)[C@H]3OC(C)=O,C33H38O11,pos_1_1proton,610.241412036,ZYDOFCQFZCENDE,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Euonymus nanoides,5513354.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus nanoides'],7,1,7.5 32896,1026,82,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.80811745,ISDB,IHNKQIMGVNPMTC-RUZDIDTESA-N,"InChI=1S/C26H54NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h25,28H,5-24H2,1-4H3/t25-/m1/s1",CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C,C26H54NO7P,,523.3637896979999,IHNKQIMGVNPMTC,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Trypanosoma brucei,494245.0,['Eukaryota'],['Unknown'],['Unknown'],['Unknown'],['Kinetoplastea'],['Unknown'],['Unknown'],['Trypanosoma'],['Trypanosoma brucei'],1,3,5.732469797134399 32897,1026,82,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.80811745,ISDB,IHNKQIMGVNPMTC-RUZDIDTESA-N,"InChI=1S/C26H54NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h25,28H,5-24H2,1-4H3/t25-/m1/s1",CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C,C26H54NO7P,,523.3637896979999,IHNKQIMGVNPMTC,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Homo sapiens,770315.0,['Eukaryota'],['Metazoa'],['Chordata'],['Mammalia'],['Primates'],['Hominidae'],['Unknown'],['Homo'],['Homo sapiens'],1,3,5.732469797134399 32898,1026,82,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.80811745,ISDB,IHNKQIMGVNPMTC-RUZDIDTESA-N,"InChI=1S/C26H54NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h25,28H,5-24H2,1-4H3/t25-/m1/s1",CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C,C26H54NO7P,,523.3637896979999,IHNKQIMGVNPMTC,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Ailuropoda melanoleuca,872573.0,['Eukaryota'],['Metazoa'],['Chordata'],['Mammalia'],['Carnivora'],['Ursidae'],['Unknown'],['Ailuropoda'],['Ailuropoda melanoleuca'],1,3,5.732469797134399 32899,1026,82,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.80811745,ISDB,IHNKQIMGVNPMTC-RUZDIDTESA-N,"InChI=1S/C26H54NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h25,28H,5-24H2,1-4H3/t25-/m1/s1",CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C,C26H54NO7P,,523.3637896979999,IHNKQIMGVNPMTC,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Aphis gossypii,1026471.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hemiptera'],['Aphididae'],['Aphidini'],['Aphis'],['Aphis gossypii'],1,3,5.732469797134399 32900,1026,82,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.80811745,ISDB,IHNKQIMGVNPMTC-RUZDIDTESA-N,"InChI=1S/C26H54NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h25,28H,5-24H2,1-4H3/t25-/m1/s1",CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C,C26H54NO7P,,523.3637896979999,IHNKQIMGVNPMTC,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Lysiphlebia japonica,697724.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hymenoptera'],['Braconidae'],['Unknown'],['Lysiphlebia'],['Lysiphlebia japonica'],1,3,5.732469797134399 32895,1024,116,Alkaloids,Ornithine alkaloids,Polyamines,0.30171856,ISDB,,,,,,,REPZVFPZZXRMMQ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.2068742513656616 32861,1021,411,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RTATXGUCZHCSNG-QHWHWDPRSA-N,"InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O15,pos_1_sodium,594.15847026,RTATXGUCZHCSNG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Clematis terniflora,21289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis terniflora'],8,3,9.5 32860,1020,73,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,BSOROLZKYXGRJC-LVXXQJFHSA-N,"InChI=1S/C23H34N2O3/c1-4-21-10-16(28-3)23-13-8-12-6-7-22(27,18(13)17(12)20(24)26)14(9-15(21)23)19(23)25(5-2)11-21/h4,12-19,27H,1,5-11H2,2-3H3,(H2,24,26)/t12?,13?,14?,15?,16-,17?,18?,19?,21+,22-,23?/m0/s1",C=C[C@]12C[C@H](OC)C34C5CC6CC[C@](O)(C(CC31)C4N(CC)C2)C5C6C(N)=O,C23H34N2O3,pos_2MNa,386.256942948,BSOROLZKYXGRJC,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum racemulosum,892121.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum racemulosum'],6,0,6.0 32842,1019,290,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.81696707,ISDB,LUGJNXFXIGAHTI-SPDAVFANSA-N,"InChI=1S/C36H36O19/c37-12-25-34(55-27(44)6-2-14-1-4-17(38)19(40)7-14)31(47)33(49)35(53-25)50-13-26-29(45)30(46)32(48)36(54-26)51-16-9-21(42)28-22(43)11-23(52-24(28)10-16)15-3-5-18(39)20(41)8-15/h1-11,25-26,29-42,45-49H,12-13H2/b6-2+/t25-,26-,29-,30+,31-,32-,33-,34-,35-,36-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O)[C@@H](O)[C@H](OC[C@H]2O[C@@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O)c(O)c5)oc4c3)[C@H](O)[C@@H](O)[C@@H]2O)O[C@@H]1CO,C36H36O19,,772.185078932,LUGJNXFXIGAHTI,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Lonicera implexa,692207.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera implexa'],8,2,12.267868280410767 31874,1018,-1,,,,0.6005394,ISDB,ZGRPWWDOSQIIIF-UHFFFAOYSA-N,"InChI=1S/C15H26O2/c1-10-5-8-13(16)12-7-6-11(14(2,3)17)9-15(10,12)4/h10-12,17H,5-9H2,1-4H3",CC1CCC(=O)C2CCC(C(C)(C)O)CC12C,C15H26O2,,238.193280072,ZGRPWWDOSQIIIF,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,8.402157545089722 31857,1016,7,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.0,MS1_match,TYPSVDGIQAOBAD-DZGCQCFKSA-N,"InChI=1S/C15H20O/c1-10-5-4-6-15(3)8-14-12(7-13(10)15)11(2)9-16-14/h9,13H,1,4-8H2,2-3H3/t13-,15+/m0/s1",C=C1CCC[C@]2(C)Cc3occ(C)c3C[C@@H]12,C15H20O,pos_2MH,216.15141526,TYPSVDGIQAOBAD,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Cimicifuga simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],6,1,6.5 31858,1016,7,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.0,MS1_match,TYPSVDGIQAOBAD-DZGCQCFKSA-N,"InChI=1S/C15H20O/c1-10-5-4-6-15(3)8-14-12(7-13(10)15)11(2)9-16-14/h9,13H,1,4-8H2,2-3H3/t13-,15+/m0/s1",C=C1CCC[C@]2(C)Cc3occ(C)c3C[C@@H]12,C15H20O,pos_2MH,216.15141526,TYPSVDGIQAOBAD,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Actaea simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],6,1,6.5 31667,1015,-1,,,,0.806561,ISDB,OUYCCCASQSFEME-QMMMGPOBSA-N,"InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1",N[C@@H](Cc1ccc(O)cc1)C(=O)O,C9H11NO3,,181.073893212,OUYCCCASQSFEME,Amino acids and Peptides,Small peptides,Aminoacids,Coptis japonica,387829.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Coptis'],['Coptis japonica'],6,0,9.22624397277832 31668,1015,-1,,,,0.806561,ISDB,OUYCCCASQSFEME-QMMMGPOBSA-N,"InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1",N[C@@H](Cc1ccc(O)cc1)C(=O)O,C9H11NO3,,181.073893212,OUYCCCASQSFEME,Amino acids and Peptides,Small peptides,Aminoacids,Catha edulis,282743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Catha'],['Catha edulis'],6,0,9.22624397277832 31665,1013,-1,,,,0.0,MS1_match,NDQUXJOAVAMALR-UHFFFAOYSA-N,"InChI=1S/C31H44O11/c1-9-18(4)26(34)41-24-22(39-25(33)17(2)3)14-29(8,36)31-13-21(28(6,7)42-31)12-23(30(24,31)16-38-19(5)32)40-27(35)20-10-11-37-15-20/h10-11,15,17-18,21-24,36H,9,12-14,16H2,1-8H3",CCC(C)C(=O)OC1C(OC(=O)C(C)C)CC(C)(O)C23CC(CC(OC(=O)c4ccoc4)C12COC(C)=O)C(C)(C)O3,C31H44O11,pos_1_1potassium,592.288362228,NDQUXJOAVAMALR,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Euonymus nanoides,5513354.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus nanoides'],7,0,7.0 31640,1012,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.48785183,ISDB,YMBIFCWAAQZSSV-SCNAZFEJSA-N,"InChI=1S/C21H38O8/c1-6-21(5,11-7-8-13(2)9-10-15(23)20(3,4)27)29-19-18(26)17(25)16(24)14(12-22)28-19/h6,8,14-19,22-27H,1,7,9-12H2,2-5H3/b13-8+/t14-,15+,16-,17+,18-,19+,21-/m1/s1",C=C[C@](C)(CC/C=C(\C)CC[C@H](O)C(C)(C)O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C21H38O8,,418.256668176,YMBIFCWAAQZSSV,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Epimedium grandiflorum,655264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Berberidaceae'],['Unknown'],['Epimedium'],['Epimedium grandiflorum'],5,1,7.451407313346863 31557,1008,158,Polyketides,Cyclic polyketides,Cinnamic acids and derivatives,0.0,MS1_match,RUVINXPYWBROJD-ONEGZZNKSA-N,"InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3/b4-3+",C/C=C/c1ccc(OC)cc1,C10H12O,pos_1_1proton1methanol,148.088815004,RUVINXPYWBROJD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Nigella sativa,142360.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Nigelleae'],['Nigella'],['Nigella sativa'],6,3,7.5 31558,1008,158,Polyketides,Cyclic polyketides,Cinnamic acids and derivatives,0.0,MS1_match,ZFMSMUAANRJZFM-UHFFFAOYSA-N,"InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3,5-8H,1,4H2,2H3",C=CCc1ccc(OC)cc1,C10H12O,pos_1_1proton1methanol,148.088815004,ZFMSMUAANRJZFM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Nigella sativa,142360.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Nigelleae'],['Nigella'],['Nigella sativa'],6,3,7.5 31507,1005,7,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.28740084,ISDB,JVHYYZMBYJJGJM-ZMDGZUOKSA-N,"InChI=1S/C40H54O4/c1-29(17-13-19-31(3)21-22-35(42)38(9)26-33(41)25-36(38,5)6)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)27-34(44-40)28-39(40,10)43/h11-24,34,43H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,38-,39+,40+/m0/s1",CC(/C=C/C=C(C)/C=C/C(=O)[C@]1(C)CC(=O)CC1(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]12O[C@@H](CC1(C)C)C[C@@]2(C)O,C40H54O4,,598.402210208,JVHYYZMBYJJGJM,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],4,2,6.149603366851807 31500,1003,-1,,,,0.0,MS1_match,UZVALMFEKMFXEX-LLBHZJIVSA-N,"InChI=1S/C21H33NO3/c1-18-5-3-6-20-14(18)9-13(16(20)22(2)10-18)19-7-4-12(8-15(19)20)21(25,11-23)17(19)24/h12-17,23-25H,3-11H2,1-2H3/t12-,13-,14+,15?,16?,17-,18-,19-,20-,21-/m0/s1",CN1C[C@]2(C)CCC[C@]34C1[C@H](C[C@H]23)[C@@]12CC[C@@H](CC41)[C@@](O)(CO)[C@H]2O,C21H33NO3,pos_2MCH3CNNa,347.246043916,UZVALMFEKMFXEX,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium dictyocarpum,6131639.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium dictyocarpum'],6,0,6.0 31501,1003,-1,,,,0.0,MS1_match,UZVALMFEKMFXEX-VSMATSSMSA-N,"InChI=1S/C21H33NO3/c1-18-5-3-6-20-14(18)9-13(16(20)22(2)10-18)19-7-4-12(8-15(19)20)21(25,11-23)17(19)24/h12-17,23-25H,3-11H2,1-2H3/t12-,13?,14+,15+,16?,17-,18-,19-,20-,21-/m0/s1",CN1C[C@]2(C)CCC[C@]34C1C(C[C@H]23)[C@@]12CC[C@@H](C[C@H]14)[C@@](O)(CO)[C@H]2O,C21H33NO3,pos_2MCH3CNNa,347.246043916,UZVALMFEKMFXEX,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium iliense,5737883.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium iliense'],6,0,6.0 31502,1003,-1,,,,0.0,MS1_match,UZVALMFEKMFXEX-VSMATSSMSA-N,"InChI=1S/C21H33NO3/c1-18-5-3-6-20-14(18)9-13(16(20)22(2)10-18)19-7-4-12(8-15(19)20)21(25,11-23)17(19)24/h12-17,23-25H,3-11H2,1-2H3/t12-,13?,14+,15+,16?,17-,18-,19-,20-,21-/m0/s1",CN1C[C@]2(C)CCC[C@]34C1C(C[C@H]23)[C@@]12CC[C@@H](C[C@H]14)[C@@](O)(CO)[C@H]2O,C21H33NO3,pos_2MCH3CNNa,347.246043916,UZVALMFEKMFXEX,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium corymbosum,5737883.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium iliense'],6,0,6.0 31503,1003,-1,,,,0.0,MS1_match,UZVALMFEKMFXEX-VSMATSSMSA-N,"InChI=1S/C21H33NO3/c1-18-5-3-6-20-14(18)9-13(16(20)22(2)10-18)19-7-4-12(8-15(19)20)21(25,11-23)17(19)24/h12-17,23-25H,3-11H2,1-2H3/t12-,13?,14+,15+,16?,17-,18-,19-,20-,21-/m0/s1",CN1C[C@]2(C)CCC[C@]34C1C(C[C@H]23)[C@@]12CC[C@@H](C[C@H]14)[C@@](O)(CO)[C@H]2O,C21H33NO3,pos_2MCH3CNNa,347.246043916,UZVALMFEKMFXEX,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium brunonianum,259375.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium minjanense'],6,0,6.0 31504,1003,-1,,,,0.0,MS1_match,UZVALMFEKMFXEX-UZCJZQEYSA-N,"InChI=1S/C21H33NO3/c1-18-5-3-6-20-14(18)9-13(16(20)22(2)10-18)19-7-4-12(8-15(19)20)21(25,11-23)17(19)24/h12-17,23-25H,3-11H2,1-2H3/t12-,13-,14+,15+,16+,17-,18-,19-,20-,21-/m0/s1",CN1C[C@]2(C)CCC[C@@]34[C@@H]5C[C@@H]6CC[C@]5([C@H](O)[C@]6(O)CO)[C@@H](C[C@H]23)[C@@H]14,C21H33NO3,pos_2MCH3CNNa,347.246043916,UZVALMFEKMFXEX,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium scabriflorum,6131796.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium scabriflorum'],6,0,6.0 31505,1003,-1,,,,0.0,MS1_match,UZVALMFEKMFXEX-LLBHZJIVSA-N,"InChI=1S/C21H33NO3/c1-18-5-3-6-20-14(18)9-13(16(20)22(2)10-18)19-7-4-12(8-15(19)20)21(25,11-23)17(19)24/h12-17,23-25H,3-11H2,1-2H3/t12-,13-,14+,15?,16?,17-,18-,19-,20-,21-/m0/s1",CN1C[C@]2(C)CCC[C@]34C1[C@H](C[C@H]23)[C@@]12CC[C@@H](CC41)[C@@](O)(CO)[C@H]2O,C21H33NO3,pos_2MCH3CNNa,347.246043916,UZVALMFEKMFXEX,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium tatsienense,176347.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium tatsienense'],6,0,6.0 31506,1003,-1,,,,0.0,MS1_match,RQWUCKAGEHUROY-LQQWKNMVSA-N,"InChI=1S/C21H33NO3/c1-3-22-10-19(2)6-5-15(23)21-12-8-11-4-7-20(25,16(12)17(11)24)13(18(21)22)9-14(19)21/h11-18,23-25H,3-10H2,1-2H3/t11-,12+,13-,14+,15-,16+,17-,18+,19-,20-,21+/m0/s1",CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@@H]5C[C@@H]6CC[C@@](O)([C@H]5[C@H]6O)[C@@H](C[C@H]23)[C@@H]14,C21H33NO3,pos_2MCH3CNNa,347.246043916,RQWUCKAGEHUROY,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium cossonianum,209868.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium cossonianum'],6,0,6.0 31499,1002,1577,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.23467718,ISDB,QSGAITMJUHFIII-CEZLRWQGSA-N,"InChI=1S/C17H24O7/c1-9(2)12-4-5-17(22)8-24-16(21)14(17)13(12)6-11(15(19)20)7-23-10(3)18/h6,9,12-14,22H,4-5,7-8H2,1-3H3,(H,19,20)/b11-6+/t12-,13-,14-,17-/m1/s1",CC(=O)OC/C(=C\[C@@H]1[C@@H](C(C)C)CC[C@@]2(O)COC(=O)[C@@H]12)C(=O)O,C17H24O7,,340.152203108,QSGAITMJUHFIII,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Aspergillus flavus,188996.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Aspergillus'],['Aspergillus flavus'],1,3,3.4387087225914 31498,1001,80,Terpenoids,Tryptophan alkaloids,Carbazole alkaloids,0.0,MS1_match,QGMXLNCOBCGXMO-HNNXBMFYSA-N,"InChI=1S/C16H25N3O2/c20-16-13-15(14-7-2-1-3-8-14)17-9-4-5-11-19(21)12-6-10-18-16/h1-3,7-8,15,17,21H,4-6,9-13H2,(H,18,20)/t15-/m0/s1",O=C1C[C@@H](c2ccccc2)NCCCCN(O)CCCN1,C16H25N3O2,pos_2MK,291.19467704,QGMXLNCOBCGXMO,Alkaloids,Ornithine alkaloids,Polyamines,Maytenus buxifolia,1060181.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Maytenus'],['Maytenus buxifolia'],6,0,6.0 31491,999,58,Polyketides,Glycerolipids,Glycosyldiacylglycerols,0.42673105,ISDB,MAIRBOUIUZTTQK-UHFFFAOYSA-N,"InChI=1S/C39H62O5/c1-4-6-8-10-12-14-16-18-20-22-24-26-31-28-32(40)29-34(41)37(31)38-33(39(43)36(44-3)30-35(38)42)27-25-23-21-19-17-15-13-11-9-7-5-2/h28-30,40-41H,4-27H2,1-3H3",CCCCCCCCCCCCCC1=C(c2c(O)cc(O)cc2CCCCCCCCCCCCC)C(=O)C=C(OC)C1=O,C39H62O5,,610.459725084,MAIRBOUIUZTTQK,Polyketides,Aromatic polyketides,Catechols with side chains,Ardisia brevicaulis,223967.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Primulaceae'],['Unknown'],['Ardisia'],['Ardisia brevicaulis'],4,1,6.206924200057983 30650,993,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.61411434,ISDB,QAIPRVGONGVQAS-DUXPYHPUSA-N,"InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+",O=C(O)/C=C/c1ccc(O)c(O)c1,C9H8O4,,180.042258736,QAIPRVGONGVQAS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis vitalba,756499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis vitalba'],9,3,12.956457376480103 30614,992,1,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,VSJGJMKGNMDJCI-ZASXJUAOSA-N,"InChI=1S/C16H22O9/c1-2-7-8-3-4-22-14(21)9(8)6-23-15(7)25-16-13(20)12(19)11(18)10(5-17)24-16/h2,6-8,10-13,15-20H,1,3-5H2/t7-,8+,10-,11-,12+,13-,15+,16+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCC[C@H]21,C16H22O9,pos_1_1proton1ammonium,358.126382284,VSJGJMKGNMDJCI,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera quinquelocularis,118025.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera quinquelocularis'],7,2,8.0 30615,992,1,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,VSJGJMKGNMDJCI-ZASXJUAOSA-N,"InChI=1S/C16H22O9/c1-2-7-8-3-4-22-14(21)9(8)6-23-15(7)25-16-13(20)12(19)11(18)10(5-17)24-16/h2,6-8,10-13,15-20H,1,3-5H2/t7-,8+,10-,11-,12+,13-,15+,16+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCC[C@H]21,C16H22O9,pos_1_1proton1ammonium,358.126382284,VSJGJMKGNMDJCI,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera angustifolia,6061340.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera angustifolia'],7,2,8.0 30616,992,1,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,VSJGJMKGNMDJCI-ZASXJUAOSA-N,"InChI=1S/C16H22O9/c1-2-7-8-3-4-22-14(21)9(8)6-23-15(7)25-16-13(20)12(19)11(18)10(5-17)24-16/h2,6-8,10-13,15-20H,1,3-5H2/t7-,8+,10-,11-,12+,13-,15+,16+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCC[C@H]21,C16H22O9,pos_1_1proton1ammonium,358.126382284,VSJGJMKGNMDJCI,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,2,8.0 30617,992,1,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,VSJGJMKGNMDJCI-ZASXJUAOSA-N,"InChI=1S/C16H22O9/c1-2-7-8-3-4-22-14(21)9(8)6-23-15(7)25-16-13(20)12(19)11(18)10(5-17)24-16/h2,6-8,10-13,15-20H,1,3-5H2/t7-,8+,10-,11-,12+,13-,15+,16+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCC[C@H]21,C16H22O9,pos_1_1proton1ammonium,358.126382284,VSJGJMKGNMDJCI,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],7,2,8.0 30618,992,1,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,VSJGJMKGNMDJCI-ZASXJUAOSA-N,"InChI=1S/C16H22O9/c1-2-7-8-3-4-22-14(21)9(8)6-23-15(7)25-16-13(20)12(19)11(18)10(5-17)24-16/h2,6-8,10-13,15-20H,1,3-5H2/t7-,8+,10-,11-,12+,13-,15+,16+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCC[C@H]21,C16H22O9,pos_1_1proton1ammonium,358.126382284,VSJGJMKGNMDJCI,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera quinquelocularis,118025.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera quinquelocularis'],7,2,8.0 30619,992,1,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,VSJGJMKGNMDJCI-ZASXJUAOSA-N,"InChI=1S/C16H22O9/c1-2-7-8-3-4-22-14(21)9(8)6-23-15(7)25-16-13(20)12(19)11(18)10(5-17)24-16/h2,6-8,10-13,15-20H,1,3-5H2/t7-,8+,10-,11-,12+,13-,15+,16+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCC[C@H]21,C16H22O9,pos_1_1proton1ammonium,358.126382284,VSJGJMKGNMDJCI,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera angustifolia,6061340.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera angustifolia'],7,2,8.0 30620,992,1,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,VSJGJMKGNMDJCI-ZASXJUAOSA-N,"InChI=1S/C16H22O9/c1-2-7-8-3-4-22-14(21)9(8)6-23-15(7)25-16-13(20)12(19)11(18)10(5-17)24-16/h2,6-8,10-13,15-20H,1,3-5H2/t7-,8+,10-,11-,12+,13-,15+,16+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCC[C@H]21,C16H22O9,pos_1_1proton1ammonium,358.126382284,VSJGJMKGNMDJCI,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera morrowii,484242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],7,2,8.0 30621,992,1,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,VSJGJMKGNMDJCI-ZASXJUAOSA-N,"InChI=1S/C16H22O9/c1-2-7-8-3-4-22-14(21)9(8)6-23-15(7)25-16-13(20)12(19)11(18)10(5-17)24-16/h2,6-8,10-13,15-20H,1,3-5H2/t7-,8+,10-,11-,12+,13-,15+,16+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCC[C@H]21,C16H22O9,pos_1_1proton1ammonium,358.126382284,VSJGJMKGNMDJCI,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera morrowii,484242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],7,2,8.0 30622,992,1,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,VSJGJMKGNMDJCI-ZASXJUAOSA-N,"InChI=1S/C16H22O9/c1-2-7-8-3-4-22-14(21)9(8)6-23-15(7)25-16-13(20)12(19)11(18)10(5-17)24-16/h2,6-8,10-13,15-20H,1,3-5H2/t7-,8+,10-,11-,12+,13-,15+,16+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCC[C@H]21,C16H22O9,pos_1_1proton1ammonium,358.126382284,VSJGJMKGNMDJCI,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,2,8.0 30623,992,1,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,VSJGJMKGNMDJCI-ZASXJUAOSA-N,"InChI=1S/C16H22O9/c1-2-7-8-3-4-22-14(21)9(8)6-23-15(7)25-16-13(20)12(19)11(18)10(5-17)24-16/h2,6-8,10-13,15-20H,1,3-5H2/t7-,8+,10-,11-,12+,13-,15+,16+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCC[C@H]21,C16H22O9,pos_1_1proton1ammonium,358.126382284,VSJGJMKGNMDJCI,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],7,2,8.0 30613,990,72,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.2971563,ISDB,ODRDPUNVAUMJOH-QFWMQHCXSA-N,"InChI=1S/C30H43N3O4/c1-10-29(5,6)26-22(16-23-28(36)31-18(4)27(35)32-23)21-14-19(12-11-17(2)3)13-20(25(21)33-26)15-24(34)30(7,8)37-9/h10-11,13-14,18,23-24,33-34H,1,12,15-16H2,2-9H3,(H,31,36)(H,32,35)/t18-,23-,24+/m1/s1",C=CC(C)(C)c1[nH]c2c(C[C@H](O)C(C)(C)OC)cc(CC=C(C)C)cc2c1C[C@H]1NC(=O)[C@@H](C)NC1=O,C30H43N3O4,,509.325356856,ODRDPUNVAUMJOH,Alkaloids,Peptide alkaloids,"Indole diketopiperazine alkaloids (L-Trp, L-Ala)",Aspergillus,550772.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Aspergillus'],['Unknown'],1,0,2.18862521648407 30612,989,-1,,,,0.0,MS1_match,RUVINXPYWBROJD-UHFFFAOYSA-N,"InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3",CC=Cc1ccc(OC)cc1,C10H12O,pos_1_1proton,148.088815004,RUVINXPYWBROJD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 30602,987,72,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.65799195,ISDB,OTKJDMGTUTTYMP-ZWKOTPCHSA-N,"InChI=1S/C18H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h17-18,20-21H,2-16,19H2,1H3/t17-,18+/m0/s1",CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CO,C18H39NO2,,301.298079488,OTKJDMGTUTTYMP,Fatty acids,Sphingolipids,Sphingoid bases,Vitis vinifera,756728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Vitales'],['Vitaceae'],['Viteae'],['Vitis'],['Vitis vinifera'],4,2,7.631967782974243 30351,986,-1,,,,0.2367384,ISDB,GVJHHUAWPYXKBD-IHMCZWCLSA-N,"InChI=1S/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3/t21-,22-,29+/m0/s1",Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)O2,C29H50O2,,430.3810808399999,GVJHHUAWPYXKBD,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Argemone mexicana,408476.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Argemone'],['Argemone mexicana'],5,0,5.946953594684601 30333,985,204,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.27099,ISDB,DKVQOAMBVKKPAM-MDZDMXLPSA-N,"InChI=1S/C13H16O/c1-4-13(2,3)10-9-11-5-7-12(14)8-6-11/h4-10,14H,1H2,2-3H3/b10-9+",C=CC(C)(C)/C=C/c1ccc(O)cc1,C13H16O,,188.120115132,DKVQOAMBVKKPAM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cullen corylifolia,541330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Psoraleeae'],['Cullen'],['Cullen corylifolium'],4,3,6.583960056304932 30334,985,204,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.27099,ISDB,DKVQOAMBVKKPAM-MDZDMXLPSA-N,"InChI=1S/C13H16O/c1-4-13(2,3)10-9-11-5-7-12(14)8-6-11/h4-10,14H,1H2,2-3H3/b10-9+",C=CC(C)(C)/C=C/c1ccc(O)cc1,C13H16O,,188.120115132,DKVQOAMBVKKPAM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cullen corylifolium,541330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Psoraleeae'],['Cullen'],['Cullen corylifolium'],4,3,6.583960056304932 30327,981,7,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.35418126,ISDB,ABTMNXMGKVGBEE-UHFFFAOYSA-N,"InChI=1S/C30H38O/c1-14-18(10-17-11-19(14)28(17,4)5)26-22-12-20(29(22,6)7)15(2)24(26)25-16(3)21-13-23(27(25)31)30(21,8)9/h10,17,22-23,31H,11-13H2,1-9H3",CC1=C2CC(C=C1C1=C(C3=C(O)C4CC(=C3C)C4(C)C)C(C)=C3CC1C3(C)C)C2(C)C,C30H38O,,414.292265836,ABTMNXMGKVGBEE,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Origanum cordifolium,5801117.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Origanum'],['Origanum cordifolium'],0,1,1.9167250394821167 29987,972,1124,Terpenoids,Sesquiterpenoids,Bufadienolides,0.6588022,ISDB,QRGXNNLNKJPFIX-LBPRGKRZSA-N,"InChI=1S/C12H16O3/c1-9-4-6-11(7-5-9)12(3,14)8-15-10(2)13/h4-7,14H,8H2,1-3H3/t12-/m0/s1",CC(=O)OC[C@](C)(O)c1ccc(C)cc1,C12H16O3,,208.109944372,QRGXNNLNKJPFIX,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Haplopappus remyanus,7599243.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Haplopappus'],['Haplopappus remyanus'],4,2,7.63520884513855 29957,971,199,Terpenoids,Diterpenoids,Guaiane sesquiterpenoids,0.53482896,ISDB,PMDCKDXMRHEFLJ-YJRNTSOCSA-N,"InChI=1S/C27H44O8/c1-7-9-10-11-12-13-14-15-23(28)35-24-21(33-25(29)18(3)4)16-20(27(31)32-6)17-22(24)34-26(30)19(5)8-2/h17-19,21-22,24H,7-16H2,1-6H3/t19-,21-,22-,24+/m1/s1",CCCCCCCCCC(=O)O[C@@H]1[C@H](OC(=O)[C@H](C)CC)C=C(C(=O)OC)C[C@H]1OC(=O)C(C)C,C27H44O8,,496.303618368,PMDCKDXMRHEFLJ,Terpenoids,,,Senecio lividus,962482.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio lividus'],4,1,6.639315843582153 29286,963,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.46914464,ISDB,VMYXUZSZMNBRCN-UHFFFAOYSA-N,"InChI=1S/C15H22/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8-11,14H,5,7H2,1-4H3",CC(C)=CCCC(C)c1ccc(C)cc1,C15H22,,202.172150704,VMYXUZSZMNBRCN,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Valeriana wolgensis,5746446.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana wolgensis'],6,2,8.876578569412231 29287,963,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.46914464,ISDB,VMYXUZSZMNBRCN-UHFFFAOYSA-N,"InChI=1S/C15H22/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8-11,14H,5,7H2,1-4H3",CC(C)=CCCC(C)c1ccc(C)cc1,C15H22,,202.172150704,VMYXUZSZMNBRCN,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,2,8.876578569412231 29288,963,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.46914464,ISDB,VMYXUZSZMNBRCN-UHFFFAOYSA-N,"InChI=1S/C15H22/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8-11,14H,5,7H2,1-4H3",CC(C)=CCCC(C)c1ccc(C)cc1,C15H22,,202.172150704,VMYXUZSZMNBRCN,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,2,8.876578569412231 29284,960,-1,,,,0.0,MS1_match,HXXFEZGVIOLPLF-YMIKPDPTSA-N,"InChI=1S/C31H34O11/c1-18(32)39-17-30-21(40-22(33)13-12-19-9-6-5-7-10-19)14-15-29(4,37)31(30)25(35)23(28(2,3)42-31)24(34)26(30)41-27(36)20-11-8-16-38-20/h5-13,16,21,23,25-26,35,37H,14-15,17H2,1-4H3/b13-12-/t21-,23+,25+,26+,29-,30-,31+/m0/s1",CC(=O)OC[C@@]12[C@@H](OC(=O)/C=C\c3ccccc3)CC[C@](C)(O)[C@@]13OC(C)(C)[C@H](C(=O)[C@H]2OC(=O)c1ccco1)[C@H]3O,C31H34O11,pos_1_1proton,582.210111908,HXXFEZGVIOLPLF,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Tripterygium wilfordii,300831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium wilfordii'],6,0,6.0 29281,957,72,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.3616679,ISDB,NHVGKAGJOWJYCD-XDIPGYKVSA-N,"InChI=1S/C39H73NO9/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-27-32(42)31(30-48-39-37(46)36(45)35(44)34(29-41)49-39)40-38(47)33(43)28-26-24-22-20-17-14-12-10-8-6-4-2/h18-19,25,27,31-37,39,41-46H,3-17,20-24,26,28-30H2,1-2H3,(H,40,47)/b19-18+,27-25+/t31-,32+,33+,34+,35+,36-,37+,39+/m0/s1",CCCCCCCCC/C=C/CC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCC,C39H73NO9,,699.5285329159999,NHVGKAGJOWJYCD,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Allium sativum,748370.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Allieae'],['Allium'],['Allium sativum'],4,3,6.9466716051101685 29256,956,37,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.32495207,ISDB,IESVDEZGAHUQJU-PYFUMDFMSA-N,"InChI=1S/C46H80NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2/h8,10,14,16,20-21,23-24,27,29,33,35,44H,6-7,9,11-13,15,17-19,22,25-26,28,30-32,34,36-43H2,1-5H3/b10-8+,16-14+,21-20+,24-23+,29-27+,35-33+/t44-/m1/s1",CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C,C46H80NO8P,,805.56215515,IESVDEZGAHUQJU,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Aphis gossypii,1026471.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hemiptera'],['Aphididae'],['Aphidini'],['Aphis'],['Aphis gossypii'],1,3,3.7998082637786865 29257,956,37,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.32495207,ISDB,IESVDEZGAHUQJU-PYFUMDFMSA-N,"InChI=1S/C46H80NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2/h8,10,14,16,20-21,23-24,27,29,33,35,44H,6-7,9,11-13,15,17-19,22,25-26,28,30-32,34,36-43H2,1-5H3/b10-8+,16-14+,21-20+,24-23+,29-27+,35-33+/t44-/m1/s1",CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C,C46H80NO8P,,805.56215515,IESVDEZGAHUQJU,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Lysiphlebia japonica,697724.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hymenoptera'],['Braconidae'],['Unknown'],['Lysiphlebia'],['Lysiphlebia japonica'],1,3,3.7998082637786865 29247,955,-1,,,,0.0,MS1_match,VRYWDBDPXMHHGE-HRPPYHBASA-N,"InChI=1S/C33H40O20/c1-10-19(38)23(42)26(45)31(47-10)48-13-6-14(37)18-15(7-13)49-28(11-2-4-12(36)5-3-11)29(22(18)41)52-33-30(25(44)21(40)17(9-35)51-33)53-32-27(46)24(43)20(39)16(8-34)50-32/h2-7,10,16-17,19-21,23-27,30-40,42-46H,8-9H2,1H3/t10-,16+,17+,19-,20+,21-,23+,24-,25-,26+,27+,30+,31-,32-,33-/m0/s1",C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@H](O)[C@H]1O,C33H40O20,pos_1_sodium,756.21129368,VRYWDBDPXMHHGE,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Nigella damascena,387814.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Nigelleae'],['Nigella'],['Nigella damascena'],6,0,6.0 29248,955,-1,,,,0.0,MS1_match,HKNBJSRIYRDSLB-UHFFFAOYSA-N,"InChI=1S/C33H40O20/c1-9-19(38)23(42)26(45)31(48-9)47-8-17-21(40)25(44)30(53-32-27(46)24(43)20(39)10(2)49-32)33(51-17)52-29-22(41)18-15(37)6-12(34)7-16(18)50-28(29)11-3-4-13(35)14(36)5-11/h3-7,9-10,17,19-21,23-27,30-40,42-46H,8H2,1-2H3",CC1OC(OCC2OC(Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O,C33H40O20,pos_1_sodium,756.21129368,HKNBJSRIYRDSLB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Monteverdia truncata,7054806.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Monteverdia'],['Monteverdia truncata'],6,0,6.0 29249,955,-1,,,,0.0,MS1_match,HKNBJSRIYRDSLB-MIORVHIISA-N,"InChI=1S/C33H40O20/c1-9-19(38)23(42)26(45)31(48-9)47-8-17-21(40)25(44)30(53-32-27(46)24(43)20(39)10(2)49-32)33(51-17)52-29-22(41)18-15(37)6-12(34)7-16(18)50-28(29)11-3-4-13(35)14(36)5-11/h3-7,9-10,17,19-21,23-27,30-40,42-46H,8H2,1-2H3/t9-,10-,17+,19-,20-,21-,23+,24+,25-,26+,27+,30+,31+,32-,33-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C33H40O20,pos_1_sodium,756.21129368,HKNBJSRIYRDSLB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Monteverdia ilicifolia,433235.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Monteverdia'],['Monteverdia ilicifolia'],6,0,6.0 29250,955,-1,,,,0.0,MS1_match,HKNBJSRIYRDSLB-MIORVHIISA-N,"InChI=1S/C33H40O20/c1-9-19(38)23(42)26(45)31(48-9)47-8-17-21(40)25(44)30(53-32-27(46)24(43)20(39)10(2)49-32)33(51-17)52-29-22(41)18-15(37)6-12(34)7-16(18)50-28(29)11-3-4-13(35)14(36)5-11/h3-7,9-10,17,19-21,23-27,30-40,42-46H,8H2,1-2H3/t9-,10-,17+,19-,20-,21-,23+,24+,25-,26+,27+,30+,31+,32-,33-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C33H40O20,pos_1_sodium,756.21129368,HKNBJSRIYRDSLB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Monteverdia aquifolium,1060183.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Monteverdia'],['Monteverdia aquifolia'],6,0,6.0 29251,955,-1,,,,0.0,MS1_match,HKNBJSRIYRDSLB-UHFFFAOYSA-N,"InChI=1S/C33H40O20/c1-9-19(38)23(42)26(45)31(48-9)47-8-17-21(40)25(44)30(53-32-27(46)24(43)20(39)10(2)49-32)33(51-17)52-29-22(41)18-15(37)6-12(34)7-16(18)50-28(29)11-3-4-13(35)14(36)5-11/h3-7,9-10,17,19-21,23-27,30-40,42-46H,8H2,1-2H3",CC1OC(OCC2OC(Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O,C33H40O20,pos_1_sodium,756.21129368,HKNBJSRIYRDSLB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Monteverdia truncata,7054806.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Monteverdia'],['Monteverdia truncata'],6,0,6.0 29252,955,-1,,,,0.0,MS1_match,HKNBJSRIYRDSLB-MIORVHIISA-N,"InChI=1S/C33H40O20/c1-9-19(38)23(42)26(45)31(48-9)47-8-17-21(40)25(44)30(53-32-27(46)24(43)20(39)10(2)49-32)33(51-17)52-29-22(41)18-15(37)6-12(34)7-16(18)50-28(29)11-3-4-13(35)14(36)5-11/h3-7,9-10,17,19-21,23-27,30-40,42-46H,8H2,1-2H3/t9-,10-,17+,19-,20-,21-,23+,24+,25-,26+,27+,30+,31+,32-,33-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C33H40O20,pos_1_sodium,756.21129368,HKNBJSRIYRDSLB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Monteverdia ilicifolia,433235.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Monteverdia'],['Monteverdia ilicifolia'],6,0,6.0 29253,955,-1,,,,0.0,MS1_match,HKNBJSRIYRDSLB-MIORVHIISA-N,"InChI=1S/C33H40O20/c1-9-19(38)23(42)26(45)31(48-9)47-8-17-21(40)25(44)30(53-32-27(46)24(43)20(39)10(2)49-32)33(51-17)52-29-22(41)18-15(37)6-12(34)7-16(18)50-28(29)11-3-4-13(35)14(36)5-11/h3-7,9-10,17,19-21,23-27,30-40,42-46H,8H2,1-2H3/t9-,10-,17+,19-,20-,21-,23+,24+,25-,26+,27+,30+,31+,32-,33-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C33H40O20,pos_1_sodium,756.21129368,HKNBJSRIYRDSLB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Monteverdia aquifolium,1060183.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Monteverdia'],['Monteverdia aquifolia'],6,0,6.0 29254,955,-1,,,,0.0,MS1_match,BFCXCFJUDBNEMU-QPIZCGMOSA-N,"InChI=1S/C33H40O20/c1-9-19(37)23(41)26(44)31(48-9)47-8-17-21(39)25(43)28(46)33(52-17)53-30-22(40)18-15(36)6-12(50-32-27(45)24(42)20(38)10(2)49-32)7-16(18)51-29(30)11-3-4-13(34)14(35)5-11/h3-7,9-10,17,19-21,23-28,31-39,41-46H,8H2,1-2H3/t9-,10-,17+,19-,20-,21-,23+,24+,25-,26+,27+,28+,31+,32-,33-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C33H40O20,pos_1_sodium,756.2112936800003,BFCXCFJUDBNEMU,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Aconitum anthora,14057.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum anthora'],6,0,6.0 29255,955,-1,,,,0.0,MS1_match,BFCXCFJUDBNEMU-QPIZCGMOSA-N,"InChI=1S/C33H40O20/c1-9-19(37)23(41)26(44)31(48-9)47-8-17-21(39)25(43)28(46)33(52-17)53-30-22(40)18-15(36)6-12(50-32-27(45)24(42)20(38)10(2)49-32)7-16(18)51-29(30)11-3-4-13(34)14(35)5-11/h3-7,9-10,17,19-21,23-28,31-39,41-46H,8H2,1-2H3/t9-,10-,17+,19-,20-,21-,23+,24+,25-,26+,27+,28+,31+,32-,33-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C33H40O20,pos_1_sodium,756.2112936800003,BFCXCFJUDBNEMU,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Aconitum anthora,14057.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum anthora'],6,0,6.0 29245,954,171,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KVSQIVFQSWVUGM-GHADIOTFSA-N,"InChI=1S/C21H36O8/c1-9-5-12(23)15-10(9)6-11-13(7-21(15,4)29-20(11,2)3)27-19-18(26)17(25)16(24)14(8-22)28-19/h9-19,22-26H,5-8H2,1-4H3/t9-,10-,11+,12-,13+,14-,15+,16-,17+,18-,19+,21+/m1/s1",C[C@@H]1C[C@@H](O)[C@@H]2[C@@H]1C[C@H]1[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C[C@]2(C)OC1(C)C,C21H36O8,pos_1_1proton1ammonium,416.241018112,KVSQIVFQSWVUGM,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,3,7.5 29246,954,171,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KVSQIVFQSWVUGM-GHADIOTFSA-N,"InChI=1S/C21H36O8/c1-9-5-12(23)15-10(9)6-11-13(7-21(15,4)29-20(11,2)3)27-19-18(26)17(25)16(24)14(8-22)28-19/h9-19,22-26H,5-8H2,1-4H3/t9-,10-,11+,12-,13+,14-,15+,16-,17+,18-,19+,21+/m1/s1",C[C@@H]1C[C@@H](O)[C@@H]2[C@@H]1C[C@H]1[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C[C@]2(C)OC1(C)C,C21H36O8,pos_1_1proton1ammonium,416.241018112,KVSQIVFQSWVUGM,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Valeriana fauriei,228778.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana fauriei'],6,3,7.5 29244,951,15,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,0.0,MS1_match,HCDXIYYTHGLFFA-TXWGWWACSA-N,"InChI=1S/C20H34O5/c1-17-8-5-9-18(2,16(23)24)13(17)6-10-19(3)14(17)7-11-20(4,25-19)15(22)12-21/h13-15,21-22H,5-12H2,1-4H3,(H,23,24)/t13-,14-,15+,17+,18+,19-,20-/m1/s1",C[C@]12CCC[C@](C)(C(=O)O)[C@@H]1CC[C@@]1(C)O[C@@](C)([C@@H](O)CO)CC[C@H]21,C20H34O5,pos_1_1proton1ammonium,354.2406241879999,HCDXIYYTHGLFFA,Terpenoids,Diterpenoids,Norlabdane diterpenoids,Tripterygium wilfordii,300831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium wilfordii'],6,1,6.5 29243,950,737,,,,0.23745094,ISDB,,,,,,,ACQDTADHVBZARB,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.9498037695884705 29194,948,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.6261525,ISDB,QHZLMUACJMDIAE-GOSISDBHSA-N,"InChI=1S/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h18,20-21H,2-17H2,1H3/t18-/m1/s1",CCCCCCCCCCCCCCCC(=O)OC[C@H](O)CO,C19H38O4,,330.27700969599994,QHZLMUACJMDIAE,Fatty acids,Glycerolipids,Monoacylglycerols,Camellia sinensis,1058509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Theaceae'],['Unknown'],['Camellia'],['Camellia sinensis'],4,3,8.004610061645508 29195,948,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.6261525,ISDB,QHZLMUACJMDIAE-UHFFFAOYSA-N,"InChI=1S/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h18,20-21H,2-17H2,1H3",CCCCCCCCCCCCCCCC(=O)OCC(O)CO,C19H38O4,,330.277009696,QHZLMUACJMDIAE,Fatty acids,Glycerolipids,Monoacylglycerols,Saussurea parviflora,40100.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea parviflora'],4,3,8.004610061645508 29196,948,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.6261525,ISDB,QHZLMUACJMDIAE-SFHVURJKSA-N,"InChI=1S/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h18,20-21H,2-17H2,1H3/t18-/m0/s1",CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)CO,C19H38O4,,330.27700969599994,QHZLMUACJMDIAE,Fatty acids,Glycerolipids,Monoacylglycerols,Acorus calamus,1008193.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Acorales'],['Acoraceae'],['Unknown'],['Acorus'],['Acorus calamus'],4,3,8.004610061645508 29197,948,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.6261525,ISDB,QHZLMUACJMDIAE-UHFFFAOYSA-N,"InChI=1S/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h18,20-21H,2-17H2,1H3",CCCCCCCCCCCCCCCC(=O)OCC(O)CO,C19H38O4,,330.277009696,QHZLMUACJMDIAE,Fatty acids,Glycerolipids,Monoacylglycerols,Senna tora,1084528.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Senna'],['Senna tora'],4,3,8.004610061645508 29198,948,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.6261525,ISDB,QHZLMUACJMDIAE-UHFFFAOYSA-N,"InChI=1S/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h18,20-21H,2-17H2,1H3",CCCCCCCCCCCCCCCC(=O)OCC(O)CO,C19H38O4,,330.277009696,QHZLMUACJMDIAE,Fatty acids,Glycerolipids,Monoacylglycerols,Sigesbeckia glabrescens,407247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Millerieae'],['Sigesbeckia'],['Sigesbeckia glabrescens'],4,3,8.004610061645508 29199,948,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.6261525,ISDB,QHZLMUACJMDIAE-GOSISDBHSA-N,"InChI=1S/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h18,20-21H,2-17H2,1H3/t18-/m1/s1",CCCCCCCCCCCCCCCC(=O)OC[C@H](O)CO,C19H38O4,,330.27700969599994,QHZLMUACJMDIAE,Fatty acids,Glycerolipids,Monoacylglycerols,Asparagus officinalis,748359.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Asparagaceae'],['Unknown'],['Asparagus'],['Asparagus officinalis'],4,3,8.004610061645508 29200,948,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.6261525,ISDB,QHZLMUACJMDIAE-GOSISDBHSA-N,"InChI=1S/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h18,20-21H,2-17H2,1H3/t18-/m1/s1",CCCCCCCCCCCCCCCC(=O)OC[C@H](O)CO,C19H38O4,,330.27700969599994,QHZLMUACJMDIAE,Fatty acids,Glycerolipids,Monoacylglycerols,Pentanema britannicum,587344.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Pentanema'],['Pentanema britannicum'],4,3,8.004610061645508 29201,948,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.6261525,ISDB,QHZLMUACJMDIAE-GOSISDBHSA-N,"InChI=1S/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h18,20-21H,2-17H2,1H3/t18-/m1/s1",CCCCCCCCCCCCCCCC(=O)OC[C@H](O)CO,C19H38O4,,330.27700969599994,QHZLMUACJMDIAE,Fatty acids,Glycerolipids,Monoacylglycerols,Inula japonica,552416.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Inula'],['Inula japonica'],4,3,8.004610061645508 29202,948,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.6261525,ISDB,QHZLMUACJMDIAE-GOSISDBHSA-N,"InChI=1S/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h18,20-21H,2-17H2,1H3/t18-/m1/s1",CCCCCCCCCCCCCCCC(=O)OC[C@H](O)CO,C19H38O4,,330.27700969599994,QHZLMUACJMDIAE,Fatty acids,Glycerolipids,Monoacylglycerols,Inula britannica,587344.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Pentanema'],['Pentanema britannicum'],4,3,8.004610061645508 29203,948,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.6261525,ISDB,QHZLMUACJMDIAE-UHFFFAOYSA-N,"InChI=1S/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h18,20-21H,2-17H2,1H3",CCCCCCCCCCCCCCCC(=O)OCC(O)CO,C19H38O4,,330.277009696,QHZLMUACJMDIAE,Fatty acids,Glycerolipids,Monoacylglycerols,Astragalus trimestris,263091.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus membranaceus'],4,3,8.004610061645508 29204,948,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.6261525,ISDB,QHZLMUACJMDIAE-UHFFFAOYSA-N,"InChI=1S/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h18,20-21H,2-17H2,1H3",CCCCCCCCCCCCCCCC(=O)OCC(O)CO,C19H38O4,,330.277009696,QHZLMUACJMDIAE,Fatty acids,Glycerolipids,Monoacylglycerols,Astragalus membranaceus,263091.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus membranaceus'],4,3,8.004610061645508 29205,948,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.6261525,ISDB,QHZLMUACJMDIAE-UHFFFAOYSA-N,"InChI=1S/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h18,20-21H,2-17H2,1H3",CCCCCCCCCCCCCCCC(=O)OCC(O)CO,C19H38O4,,330.277009696,QHZLMUACJMDIAE,Fatty acids,Glycerolipids,Monoacylglycerols,Astragalus mongholicus,445993.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus mongholicus'],4,3,8.004610061645508 29206,948,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.6261525,ISDB,QHZLMUACJMDIAE-GOSISDBHSA-N,"InChI=1S/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h18,20-21H,2-17H2,1H3/t18-/m1/s1",CCCCCCCCCCCCCCCC(=O)OC[C@H](O)CO,C19H38O4,,330.27700969599994,QHZLMUACJMDIAE,Fatty acids,Glycerolipids,Monoacylglycerols,Brassica rapa,833632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica rapa'],4,3,8.004610061645508 29207,948,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.6261525,ISDB,QHZLMUACJMDIAE-UHFFFAOYSA-N,"InChI=1S/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h18,20-21H,2-17H2,1H3",CCCCCCCCCCCCCCCC(=O)OCC(O)CO,C19H38O4,,330.277009696,QHZLMUACJMDIAE,Fatty acids,Glycerolipids,Monoacylglycerols,Perilla frutescens,295678.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Elsholtzieae'],['Perilla'],['Perilla frutescens'],4,3,8.004610061645508 29208,948,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.6261525,ISDB,QHZLMUACJMDIAE-UHFFFAOYSA-N,"InChI=1S/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h18,20-21H,2-17H2,1H3",CCCCCCCCCCCCCCCC(=O)OCC(O)CO,C19H38O4,,330.277009696,QHZLMUACJMDIAE,Fatty acids,Glycerolipids,Monoacylglycerols,Oryza sativa,709894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza sativa'],4,3,8.004610061645508 29209,948,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.6261525,ISDB,QHZLMUACJMDIAE-UHFFFAOYSA-N,"InChI=1S/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h18,20-21H,2-17H2,1H3",CCCCCCCCCCCCCCCC(=O)OCC(O)CO,C19H38O4,,330.277009696,QHZLMUACJMDIAE,Fatty acids,Glycerolipids,Monoacylglycerols,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],4,3,8.004610061645508 29210,948,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.6261525,ISDB,QHZLMUACJMDIAE-UHFFFAOYSA-N,"InChI=1S/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h18,20-21H,2-17H2,1H3",CCCCCCCCCCCCCCCC(=O)OCC(O)CO,C19H38O4,,330.277009696,QHZLMUACJMDIAE,Fatty acids,Glycerolipids,Monoacylglycerols,Euphorbia micractina,3912390.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia micractina'],4,3,8.004610061645508 29211,948,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.6261525,ISDB,QHZLMUACJMDIAE-GOSISDBHSA-N,"InChI=1S/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h18,20-21H,2-17H2,1H3/t18-/m1/s1",CCCCCCCCCCCCCCCC(=O)OC[C@H](O)CO,C19H38O4,,330.27700969599994,QHZLMUACJMDIAE,Fatty acids,Glycerolipids,Monoacylglycerols,Dendrobium thyrsiflorum,400376.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Malaxideae'],['Dendrobium'],['Dendrobium thyrsiflorum'],4,3,8.004610061645508 29212,948,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.6261525,ISDB,QHZLMUACJMDIAE-UHFFFAOYSA-N,"InChI=1S/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h18,20-21H,2-17H2,1H3",CCCCCCCCCCCCCCCC(=O)OCC(O)CO,C19H38O4,,330.277009696,QHZLMUACJMDIAE,Fatty acids,Glycerolipids,Monoacylglycerols,Isodon eriocalyx,1067788.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Ocimeae'],['Isodon'],['Isodon eriocalyx'],4,3,8.004610061645508 29213,948,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.6261525,ISDB,QHZLMUACJMDIAE-UHFFFAOYSA-N,"InChI=1S/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h18,20-21H,2-17H2,1H3",CCCCCCCCCCCCCCCC(=O)OCC(O)CO,C19H38O4,,330.277009696,QHZLMUACJMDIAE,Fatty acids,Glycerolipids,Monoacylglycerols,Lemna perpusilla,483451.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Alismatales'],['Araceae'],['Unknown'],['Lemna'],['Lemna perpusilla'],4,3,8.004610061645508 29214,948,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.6261525,ISDB,QHZLMUACJMDIAE-UHFFFAOYSA-N,"InChI=1S/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h18,20-21H,2-17H2,1H3",CCCCCCCCCCCCCCCC(=O)OCC(O)CO,C19H38O4,,330.277009696,QHZLMUACJMDIAE,Fatty acids,Glycerolipids,Monoacylglycerols,Actaea racemosa,512702.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea racemosa'],4,3,8.004610061645508 29215,948,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.6261525,ISDB,QHZLMUACJMDIAE-SFHVURJKSA-N,"InChI=1S/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h18,20-21H,2-17H2,1H3/t18-/m0/s1",CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)CO,C19H38O4,,330.27700969599994,QHZLMUACJMDIAE,Fatty acids,Glycerolipids,Monoacylglycerols,Corchorus olitorius,578269.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Apeibeae'],['Corchorus'],['Corchorus olitorius'],4,3,8.004610061645508 29216,948,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.6261525,ISDB,QHZLMUACJMDIAE-UHFFFAOYSA-N,"InChI=1S/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h18,20-21H,2-17H2,1H3",CCCCCCCCCCCCCCCC(=O)OCC(O)CO,C19H38O4,,330.277009696,QHZLMUACJMDIAE,Fatty acids,Glycerolipids,Monoacylglycerols,Nelumbo nucifera,532288.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Proteales'],['Nelumbonaceae'],['Unknown'],['Nelumbo'],['Nelumbo nucifera'],4,3,8.004610061645508 29217,948,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.6261525,ISDB,QHZLMUACJMDIAE-UHFFFAOYSA-N,"InChI=1S/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h18,20-21H,2-17H2,1H3",CCCCCCCCCCCCCCCC(=O)OCC(O)CO,C19H38O4,,330.277009696,QHZLMUACJMDIAE,Fatty acids,Glycerolipids,Monoacylglycerols,Glycine max,681762.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Glycine max'],4,3,8.004610061645508 29218,948,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.6261525,ISDB,QHZLMUACJMDIAE-GOSISDBHSA-N,"InChI=1S/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h18,20-21H,2-17H2,1H3/t18-/m1/s1",CCCCCCCCCCCCCCCC(=O)OC[C@H](O)CO,C19H38O4,,330.27700969599994,QHZLMUACJMDIAE,Fatty acids,Glycerolipids,Monoacylglycerols,Adenocaulon himalaicum,935632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Mutisieae'],['Adenocaulon'],['Adenocaulon himalaicum'],4,3,8.004610061645508 29219,948,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.6261525,ISDB,QHZLMUACJMDIAE-UHFFFAOYSA-N,"InChI=1S/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h18,20-21H,2-17H2,1H3",CCCCCCCCCCCCCCCC(=O)OCC(O)CO,C19H38O4,,330.277009696,QHZLMUACJMDIAE,Fatty acids,Glycerolipids,Monoacylglycerols,Trichosanthes tricuspidata,201406.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cucurbitales'],['Cucurbitaceae'],['Sicyoeae'],['Trichosanthes'],['Trichosanthes tricuspidata'],4,3,8.004610061645508 29220,948,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.6261525,ISDB,QHZLMUACJMDIAE-UHFFFAOYSA-N,"InChI=1S/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h18,20-21H,2-17H2,1H3",CCCCCCCCCCCCCCCC(=O)OCC(O)CO,C19H38O4,,330.277009696,QHZLMUACJMDIAE,Fatty acids,Glycerolipids,Monoacylglycerols,Neolitsea daibuensis,6027050.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Neolitsea'],['Neolitsea daibuensis'],4,3,8.004610061645508 29221,948,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.6261525,ISDB,QHZLMUACJMDIAE-UHFFFAOYSA-N,"InChI=1S/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h18,20-21H,2-17H2,1H3",CCCCCCCCCCCCCCCC(=O)OCC(O)CO,C19H38O4,,330.277009696,QHZLMUACJMDIAE,Fatty acids,Glycerolipids,Monoacylglycerols,Lemna aequinoctialis,290.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Alismatales'],['Araceae'],['Unknown'],['Lemna'],['Lemna aequinoctialis'],4,3,8.004610061645508 29222,948,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.6261525,ISDB,QHZLMUACJMDIAE-UHFFFAOYSA-N,"InChI=1S/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h18,20-21H,2-17H2,1H3",CCCCCCCCCCCCCCCC(=O)OCC(O)CO,C19H38O4,,330.277009696,QHZLMUACJMDIAE,Fatty acids,Glycerolipids,Monoacylglycerols,Morinda citrifolia,559722.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Morindeae'],['Morinda'],['Morinda citrifolia'],4,3,8.004610061645508 29223,948,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.6261525,ISDB,QHZLMUACJMDIAE-UHFFFAOYSA-N,"InChI=1S/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h18,20-21H,2-17H2,1H3",CCCCCCCCCCCCCCCC(=O)OCC(O)CO,C19H38O4,,330.277009696,QHZLMUACJMDIAE,Fatty acids,Glycerolipids,Monoacylglycerols,Zingiber officinale,1063866.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Zingiber'],['Zingiber officinale'],4,3,8.004610061645508 29224,948,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.6261525,ISDB,QHZLMUACJMDIAE-GOSISDBHSA-N,"InChI=1S/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h18,20-21H,2-17H2,1H3/t18-/m1/s1",CCCCCCCCCCCCCCCC(=O)OC[C@H](O)CO,C19H38O4,,330.27700969599994,QHZLMUACJMDIAE,Fatty acids,Glycerolipids,Monoacylglycerols,Gynura japonica,5921027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Gynura'],['Gynura japonica'],4,3,8.004610061645508 29192,946,73,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.38164487,ISDB,OFKUJHJJCQCWLX-UWVXJICLSA-N,"InChI=1S/C47H72O12/c1-13-25(3)39(53)58-37-38(59-40(54)26(4)14-2)47(24-55-41-36(52)35(51)30(23-48)57-41)29(21-42(37,6)7)28-15-16-32-44(10)19-18-33(50)43(8,9)31(44)17-20-45(32,11)46(28,12)22-34(47)56-27(5)49/h13-15,29-38,41,48,50-52H,16-24H2,1-12H3/b25-13+,26-14+/t29-,30+,31-,32+,33-,34+,35-,36-,37-,38-,41+,44-,45+,46+,47-/m0/s1",C/C=C(\C)C(=O)O[C@H]1[C@H](OC(=O)/C(C)=C/C)[C@]2(CO[C@@H]3O[C@H](CO)[C@H](O)[C@@H]3O)[C@H](OC(C)=O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2CC1(C)C,C47H72O12,,828.502377744,OFKUJHJJCQCWLX,Terpenoids,Triterpenoids,Oleanane triterpenoids,Planchonia careya,3901629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Lecythidaceae'],['Unknown'],['Planchonia'],['Planchonia careya'],4,3,7.02657949924469 29187,944,80,Terpenoids,Tryptophan alkaloids,Carbazole alkaloids,0.0,MS1_match,BWOVJJVWAQOXMJ-UHFFFAOYSA-N,"InChI=1S/C28H36O11/c1-15(29)35-14-27-19(32)12-13-26(6,34)28(27)22(37-17(3)31)20(25(4,5)39-28)21(36-16(2)30)23(27)38-24(33)18-10-8-7-9-11-18/h7-11,19-23,32,34H,12-14H2,1-6H3",CC(=O)OCC12C(O)CCC(C)(O)C13OC(C)(C)C(C(OC(C)=O)C2OC(=O)c1ccccc1)C3OC(C)=O,C28H36O11,pos_1_minus1proton2sodium,548.225761972,BWOVJJVWAQOXMJ,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Maytenus canariensis,458948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Gymnosporia'],['Gymnosporia cassinoides'],6,1,6.5 29188,944,80,Terpenoids,Tryptophan alkaloids,Carbazole alkaloids,0.0,MS1_match,BWOVJJVWAQOXMJ-WAPJGYJGSA-N,"InChI=1S/C28H36O11/c1-15(29)35-14-27-19(32)12-13-26(6,34)28(27)22(37-17(3)31)20(25(4,5)39-28)21(36-16(2)30)23(27)38-24(33)18-10-8-7-9-11-18/h7-11,19-23,32,34H,12-14H2,1-6H3/t19-,20+,21+,22+,23+,26-,27-,28-/m0/s1",CC(=O)OC[C@]12[C@H](OC(=O)c3ccccc3)[C@H](OC(C)=O)[C@@H]3[C@@H](OC(C)=O)[C@]1(OC3(C)C)[C@@](C)(O)CC[C@@H]2O,C28H36O11,pos_1_minus1proton2sodium,548.225761972,BWOVJJVWAQOXMJ,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Gymnosporia cassinoides,458948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Gymnosporia'],['Gymnosporia cassinoides'],6,1,6.5 29189,944,80,Terpenoids,Tryptophan alkaloids,Carbazole alkaloids,0.0,MS1_match,FOFXBHAKMNFCKG-UHFFFAOYSA-N,"InChI=1S/C28H36O11/c1-15(29)35-14-27-19(36-16(2)30)12-13-26(6,34)28(27)22(37-17(3)31)20(25(4,5)39-28)21(32)23(27)38-24(33)18-10-8-7-9-11-18/h7-11,19-23,32,34H,12-14H2,1-6H3",CC(=O)OCC12C(OC(C)=O)CCC(C)(O)C13OC(C)(C)C(C(O)C2OC(=O)c1ccccc1)C3OC(C)=O,C28H36O11,pos_1_minus1proton2sodium,548.225761972,FOFXBHAKMNFCKG,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Maytenus canariensis,458948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Gymnosporia'],['Gymnosporia cassinoides'],6,1,6.5 29190,944,80,Terpenoids,Tryptophan alkaloids,Carbazole alkaloids,0.0,MS1_match,FOFXBHAKMNFCKG-WAPJGYJGSA-N,"InChI=1S/C28H36O11/c1-15(29)35-14-27-19(36-16(2)30)12-13-26(6,34)28(27)22(37-17(3)31)20(25(4,5)39-28)21(32)23(27)38-24(33)18-10-8-7-9-11-18/h7-11,19-23,32,34H,12-14H2,1-6H3/t19-,20+,21+,22+,23+,26-,27-,28-/m0/s1",CC(=O)OC[C@@]12[C@@H](OC(C)=O)CC[C@](C)(O)[C@]13OC(C)(C)[C@H]([C@@H](O)[C@H]2OC(=O)c1ccccc1)[C@H]3OC(C)=O,C28H36O11,pos_1_minus1proton2sodium,548.225761972,FOFXBHAKMNFCKG,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Gymnosporia cassinoides,458948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Gymnosporia'],['Gymnosporia cassinoides'],6,1,6.5 29191,944,80,Terpenoids,Tryptophan alkaloids,Carbazole alkaloids,0.0,MS1_match,IIRHMKNKDSLPSJ-TWTSRNLUSA-N,"InChI=1S/C28H36O11/c1-15(29)35-14-27-19(38-24(33)18-10-8-7-9-11-18)12-13-26(6,34)28(27)22(36-16(2)30)20(25(4,5)39-28)21(32)23(27)37-17(3)31/h7-11,19-23,32,34H,12-14H2,1-6H3/t19-,20+,21-,22+,23+,26-,27-,28-/m0/s1",CC(=O)OC[C@@]12[C@@H](OC(=O)c3ccccc3)CC[C@](C)(O)[C@]13OC(C)(C)[C@H]([C@H](O)[C@H]2OC(C)=O)[C@H]3OC(C)=O,C28H36O11,pos_1_minus1proton2sodium,548.225761972,IIRHMKNKDSLPSJ,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Rzedowskia tolantonguensis,332590.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Rzedowskia'],['Rzedowskia tolantonguensis'],6,1,6.5 29154,942,-1,,,,0.4049693,ISDB,,,,,,,FLJZRYZNZZHWSS,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.6198772192001343 29153,941,-1,,,,0.0,MS1_match,XQFHNOITSVLCHN-TWCWKPIJSA-N,"InChI=1S/C28H42O3/c1-16-13-23-25(3,15-21(16)30)9-11-27(5)22-8-7-18-17(2)24(31)20(29)14-19(18)26(22,4)10-12-28(23,27)6/h16,19-20,22-23,29H,7-15H2,1-6H3/t16-,19-,20+,22+,23-,25+,26+,27-,28+/m1/s1",CC1=C2CC[C@H]3[C@@](C)(CC[C@@]4(C)[C@@H]5C[C@@H](C)C(=O)C[C@]5(C)CC[C@]34C)[C@@H]2C[C@H](O)C1=O,C28H42O3,pos_1_1potassium,426.313395204,XQFHNOITSVLCHN,Terpenoids,Triterpenoids,Friedelane triterpenoids,Microtropis triflora,1045126.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Microtropis'],['Microtropis triflora'],6,0,6.0 29136,937,73,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.5276928,ISDB,XSAHNTUFQBWEMI-PUNDARRNSA-N,"InChI=1S/C38H58O11/c1-18(15-20(46-19(2)40)31-34(5,6)49-31)25-27(42)30(45)36(8)23-10-9-22-33(3,4)24(48-32-29(44)28(43)26(41)21(16-39)47-32)11-12-37(22)17-38(23,37)14-13-35(25,36)7/h10,18,20-22,24-26,28-32,39,41,43-45H,9,11-17H2,1-8H3/t18-,20-,21-,22+,24+,25+,26+,28+,29-,30+,31+,32+,35-,36-,37-,38+/m1/s1",CC(=O)O[C@H](C[C@@H](C)[C@H]1C(=O)[C@H](O)[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)CC[C@@]45C[C@@]35CC[C@]12C)[C@@H]1OC1(C)C,C38H58O11,,690.397912676,XSAHNTUFQBWEMI,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Actaea simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],6,2,9.110771179199219 29137,937,73,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.5276928,ISDB,XSAHNTUFQBWEMI-PUNDARRNSA-N,"InChI=1S/C38H58O11/c1-18(15-20(46-19(2)40)31-34(5,6)49-31)25-27(42)30(45)36(8)23-10-9-22-33(3,4)24(48-32-29(44)28(43)26(41)21(16-39)47-32)11-12-37(22)17-38(23,37)14-13-35(25,36)7/h10,18,20-22,24-26,28-32,39,41,43-45H,9,11-17H2,1-8H3/t18-,20-,21-,22+,24+,25+,26+,28+,29-,30+,31+,32+,35-,36-,37-,38+/m1/s1",CC(=O)O[C@H](C[C@@H](C)[C@H]1C(=O)[C@H](O)[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)CC[C@@]45C[C@@]35CC[C@]12C)[C@@H]1OC1(C)C,C38H58O11,,690.397912676,XSAHNTUFQBWEMI,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Cimicifuga simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],6,2,9.110771179199219 29134,936,-1,,,,0.0,MS1_match,LSYKFBZWBDMZLQ-NRFANRHFSA-N,"InChI=1S/C23H29N3O2/c27-22-18-21(19-10-3-1-4-11-19)24-14-7-8-16-26(17-9-15-25-22)23(28)20-12-5-2-6-13-20/h1-6,10-13,21,24H,7-9,14-18H2,(H,25,27)/t21-/m0/s1",O=C1C[C@@H](c2ccccc2)NCCCCN(C(=O)c2ccccc2)CCCN1,C23H29N3O2,pos_1_sodium,379.225977168,LSYKFBZWBDMZLQ,Alkaloids,Ornithine alkaloids,Polyamines,Tripterygium wilfordii,300831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium wilfordii'],6,0,6.0 29135,936,-1,,,,0.0,MS1_match,LSYKFBZWBDMZLQ-NRFANRHFSA-N,"InChI=1S/C23H29N3O2/c27-22-18-21(19-10-3-1-4-11-19)24-14-7-8-16-26(17-9-15-25-22)23(28)20-12-5-2-6-13-20/h1-6,10-13,21,24H,7-9,14-18H2,(H,25,27)/t21-/m0/s1",O=C1C[C@@H](c2ccccc2)NCCCCN(C(=O)c2ccccc2)CCCN1,C23H29N3O2,pos_1_sodium,379.225977168,LSYKFBZWBDMZLQ,Alkaloids,Ornithine alkaloids,Polyamines,Gymnosporia mossambicensis,617157.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Gymnosporia'],['Gymnosporia mossambicensis'],6,0,6.0 29130,934,955,,,,0.5281809,ISDB,,,,,,,DBELLPBYTZDJHZ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.1127235889434814 29129,933,602,Shikimates and Phenylpropanoids,Monoterpenoids,Secoiridoid monoterpenoids,0.227303,ISDB,NHFOSXIOFJJQTP-FSDJSFAOSA-N,"InChI=1S/C16H19NO6S/c1-9-13(19)14(20)15(22-10(2)18)16(21-9)23-12-5-3-11(4-6-12)7-17-8-24/h3-6,9,13-16,19-20H,7H2,1-2H3/t9-,13-,14+,15+,16-/m0/s1",CC(=O)O[C@H]1[C@H](Oc2ccc(CN=C=S)cc2)O[C@@H](C)[C@H](O)[C@H]1O,C16H19NO6S,,353.0933083279999,NHFOSXIOFJJQTP,Shikimates and Phenylpropanoids,,,Moringa oleifera,883783.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Moringaceae'],['Unknown'],['Moringa'],['Moringa oleifera'],4,1,5.409211993217468 29110,932,1262,Polyketides,Chromanes,Chromones,0.696574,ISDB,OIQRCBINTJVAGZ-HNNXBMFYSA-N,"InChI=1S/C15H14O8/c1-15(20)4-9-6(5-22-15)12(16)10-7(23-9)3-8(21-2)13(17)11(10)14(18)19/h3,17,20H,4-5H2,1-2H3,(H,18,19)/t15-/m0/s1",COc1cc2oc3c(c(=O)c2c(C(=O)O)c1O)CO[C@](C)(O)C3,C15H14O8,,322.068867408,OIQRCBINTJVAGZ,Polyketides,Chromanes,Chromones,Penicillium dodgei,5310733.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Penicillium'],['Penicillium dodgei'],1,3,5.2862958908081055 29111,932,1262,Polyketides,Chromanes,Chromones,0.696574,ISDB,OIQRCBINTJVAGZ-HNNXBMFYSA-N,"InChI=1S/C15H14O8/c1-15(20)4-9-6(5-22-15)12(16)10-7(23-9)3-8(21-2)13(17)11(10)14(18)19/h3,17,20H,4-5H2,1-2H3,(H,18,19)/t15-/m0/s1",COc1cc2oc3c(c(=O)c2c(C(=O)O)c1O)CO[C@](C)(O)C3,C15H14O8,,322.068867408,OIQRCBINTJVAGZ,Polyketides,Chromanes,Chromones,Penicillium brefeldianum,5310733.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Penicillium'],['Penicillium dodgei'],1,3,5.2862958908081055 29091,929,7,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.20657943,ISDB,JVHYYZMBYJJGJM-ZMDGZUOKSA-N,"InChI=1S/C40H54O4/c1-29(17-13-19-31(3)21-22-35(42)38(9)26-33(41)25-36(38,5)6)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)27-34(44-40)28-39(40,10)43/h11-24,34,43H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,38-,39+,40+/m0/s1",CC(/C=C/C=C(C)/C=C/C(=O)[C@]1(C)CC(=O)CC1(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]12O[C@@H](CC1(C)C)C[C@@]2(C)O,C40H54O4,,598.402210208,JVHYYZMBYJJGJM,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],4,2,5.826317727565765 29089,925,62,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,SFLJKERWIWKVDG-TVAJMVSCSA-N,"InChI=1S/C16H26O10/c1-15(22)7-5-24-14(21)16(2,23)6(7)3-9(15)26-13-12(20)11(19)10(18)8(4-17)25-13/h6-13,17-20,22-23H,3-5H2,1-2H3/t6-,7-,8+,9-,10+,11-,12+,13-,15-,16-/m0/s1",C[C@@]1(O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C[C@H]2[C@@H]1COC(=O)[C@@]2(C)O,C16H26O10,pos_1_1proton1acetonitrile,378.152597032,SFLJKERWIWKVDG,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia scabra,68239.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia scabra'],6,3,7.5 29087,922,-1,,,,0.0,MS1_match,USMYUFNGIMZGOD-VVYIQUKOSA-N,"InChI=1S/C32H56O14/c1-29(2)17-6-10-31(4)18(30(17,3)9-8-19(29)44-27-25(40)23(38)21(36)15(12-33)42-27)7-11-32(5,46-31)20(14-35)45-28-26(41)24(39)22(37)16(13-34)43-28/h15-28,33-41H,6-14H2,1-5H3/t15-,16-,17-,18+,19-,20+,21-,22-,23+,24+,25-,26-,27+,28+,30-,31+,32-/m1/s1",CC1(C)[C@H]2CC[C@]3(C)O[C@@](C)([C@H](CO)O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)CC[C@H]3[C@]2(C)CC[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C32H56O14,pos_1_sodium,664.367006472,USMYUFNGIMZGOD,Terpenoids,Diterpenoids,,Microtropis japonica,828316.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Microtropis'],['Microtropis japonica'],6,0,6.0 29088,922,-1,,,,0.0,MS1_match,UGXGNDFGUYJPTJ-SVVOPOECSA-N,"InChI=1S/C32H56O14/c1-29(2)17-6-10-31(4)18(30(17,3)9-8-20(29)45-28-26(41)24(39)22(37)16(13-34)44-28)7-11-32(5,46-31)19(35)14-42-27-25(40)23(38)21(36)15(12-33)43-27/h15-28,33-41H,6-14H2,1-5H3/t15-,16-,17-,18+,19+,20-,21-,22-,23+,24+,25-,26-,27-,28+,30-,31+,32-/m1/s1",CC1(C)[C@H]2CC[C@]3(C)O[C@@](C)([C@@H](O)CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)CC[C@H]3[C@]2(C)CC[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C32H56O14,pos_1_sodium,664.367006472,UGXGNDFGUYJPTJ,Terpenoids,Diterpenoids,,Microtropis japonica,828316.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Microtropis'],['Microtropis japonica'],6,0,6.0 29081,921,-1,,,,0.0,MS1_match,HXMXOBXOPPGJHP-XFUTXVRSSA-N,"InChI=1S/C19H28O8/c1-5-23-8-13-9-24-17(27-15(21)6-11(2)3)16-18(13,22)7-14(26-12(4)20)19(16)10-25-19/h9,11,14,16-17,22H,5-8,10H2,1-4H3/t14-,16-,17-,18-,19+/m0/s1",CCOCC1=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]3(CO3)[C@@H](OC(C)=O)C[C@]12O,C19H28O8,pos_3_3proton,384.1784178559999,HXMXOBXOPPGJHP,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,0,6.0 29082,921,-1,,,,0.0,MS1_match,HXMXOBXOPPGJHP-GPFWEFOESA-N,"InChI=1S/C19H28O8/c1-5-23-8-13-9-24-17(27-15(21)6-11(2)3)16-18(13,22)7-14(26-12(4)20)19(16)10-25-19/h9,11,14,16-17,22H,5-8,10H2,1-4H3/t14-,16-,17-,18+,19+/m0/s1",CCOCC1=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]3(CO3)[C@@H](OC(C)=O)C[C@@]12O,C19H28O8,pos_3_3proton,384.178417856,HXMXOBXOPPGJHP,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Nardostachys jatamansi,24101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Nardostachys'],['Nardostachys jatamansi'],6,0,6.0 29083,921,-1,,,,0.0,MS1_match,HXMXOBXOPPGJHP-XFUTXVRSSA-N,"InChI=1S/C19H28O8/c1-5-23-8-13-9-24-17(27-15(21)6-11(2)3)16-18(13,22)7-14(26-12(4)20)19(16)10-25-19/h9,11,14,16-17,22H,5-8,10H2,1-4H3/t14-,16-,17-,18-,19+/m0/s1",CCOCC1=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]3(CO3)[C@@H](OC(C)=O)C[C@]12O,C19H28O8,pos_3_3proton,384.1784178559999,HXMXOBXOPPGJHP,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,0,6.0 29084,921,-1,,,,0.0,MS1_match,HXMXOBXOPPGJHP-GPFWEFOESA-N,"InChI=1S/C19H28O8/c1-5-23-8-13-9-24-17(27-15(21)6-11(2)3)16-18(13,22)7-14(26-12(4)20)19(16)10-25-19/h9,11,14,16-17,22H,5-8,10H2,1-4H3/t14-,16-,17-,18+,19+/m0/s1",CCOCC1=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]3(CO3)[C@@H](OC(C)=O)C[C@@]12O,C19H28O8,pos_3_3proton,384.178417856,HXMXOBXOPPGJHP,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Nardostachys jatamansi,24101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Nardostachys'],['Nardostachys jatamansi'],6,0,6.0 29085,921,-1,,,,0.0,MS1_match,PCWLZMIAWSKQEO-HCXYKTFWSA-N,"InChI=1S/C19H28O8/c1-11(2)8-15(22)26-18-16-13(6-7-19(16,10-20)24-5)14(9-25-12(3)21)17(23-4)27-18/h6-7,11,16-18,20H,8-10H2,1-5H3/t16-,17+,18-,19+/m1/s1",CO[C@H]1O[C@@H](OC(=O)CC(C)C)[C@H]2C(=C1COC(C)=O)C=C[C@@]2(CO)OC,C19H28O8,pos_3_3proton,384.178417856,PCWLZMIAWSKQEO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,0,6.0 29080,918,-1,,,,0.21995993,ISDB,,,,,,,WEHKZGYZEFGSOC,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.8798397183418274 29056,915,841,Terpenoids,Monoterpenoids,Camphane monoterpenoids,0.5388957,ISDB,BVEVSYQMQABMQM-UHFFFAOYSA-N,"InChI=1S/C21H36O11/c1-19(2)9-4-12(20(19,3)5-10(9)23)32-17-15(26)14(25)13(24)11(31-17)6-29-18-16(27)21(28,7-22)8-30-18/h9-18,22-28H,4-8H2,1-3H3",CC1(C)C2CC(OC3OC(COC4OCC(O)(CO)C4O)C(O)C(O)C3O)C1(C)CC2O,C21H36O11,,464.225761972,BVEVSYQMQABMQM,Terpenoids,Monoterpenoids,Camphane monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,3,9.655582904815674 29016,914,739,Alkaloids,Triterpenoids,Oleanane triterpenoids,0.6297727,ISDB,VRYRMXWYCOQDIY-FHXSIZRNSA-N,"InChI=1S/C48H78O17/c1-21-30(52)33(55)36(58)39(60-21)64-38-35(57)32(54)23(19-49)62-41(38)65-37-34(56)31(53)22(2)61-40(37)63-29-12-13-44(7)24(43(29,5)6)10-14-45(8)25(44)11-15-48-26-16-42(3,4)27(50)18-47(26,20-59-48)28(51)17-46(45,48)9/h11,15,21-41,49-58H,10,12-14,16-20H2,1-9H3/t21-,22+,23+,24-,25+,26+,27+,28+,29-,30-,31-,32+,33+,34-,35-,36+,37+,38+,39-,40-,41-,44-,45+,46-,47+,48-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3[C@H](O[C@H]4CC[C@]5(C)[C@H]6C=C[C@]78OC[C@@]9(C[C@@H](O)C(C)(C)C[C@H]97)[C@H](O)C[C@@]8(C)[C@]6(C)CC[C@H]5C4(C)C)O[C@H](C)[C@H](O)[C@@H]3O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C48H78O17,,926.523901036,VRYRMXWYCOQDIY,Terpenoids,Triterpenoids,Oleanane triterpenoids,Bupleurum rotundifolium,184703.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Bupleureae'],['Bupleurum'],['Bupleurum rotundifolium'],4,3,8.0190908908844 28964,913,7,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.2475022,ISDB,RGAZJYSRPZSBTF-GVVOHZSFSA-N,"InChI=1S/C40H52O2/c1-29(18-13-20-31(3)23-25-35-33(5)22-15-27-39(35,7)8)16-11-12-17-30(2)19-14-21-32(4)24-26-36-34(6)38(42)37(41)28-40(36,9)10/h11-14,16-21,23-26,28,41H,15,22,27H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,29-16+,30-17+,31-20+,32-21+",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C(=O)C(O)=CC2(C)C)C(C)(C)CCC1,C40H52O2,,564.396730904,RGAZJYSRPZSBTF,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Adonis annua,804994.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Adonideae'],['Adonis'],['Adonis annua'],6,3,8.490008771419525 28926,912,62,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.918053,ISDB,YGSIRXHFAUFUEJ-UHFFFAOYSA-N,"InChI=1S/C12H16O8/c1-5-11(6(14)2-3-18-5)20-12-10(17)9(16)8(15)7(4-13)19-12/h2-3,7-10,12-13,15-17H,4H2,1H3",Cc1occc(=O)c1OC1OC(CO)C(O)C(O)C1O,C12H16O8,,288.084517472,YGSIRXHFAUFUEJ,Polyketides,Cyclic polyketides,4-pyrone derivatives,Gamblea innovans,709202.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Gamblea'],['Gamblea innovans'],4,0,7.6722118854522705 28927,912,62,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.918053,ISDB,YGSIRXHFAUFUEJ-GPTQDWHKSA-N,"InChI=1S/C12H16O8/c1-5-11(6(14)2-3-18-5)20-12-10(17)9(16)8(15)7(4-13)19-12/h2-3,7-10,12-13,15-17H,4H2,1H3/t7-,8-,9+,10-,12+/m1/s1",Cc1occc(=O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C12H16O8,,288.084517472,YGSIRXHFAUFUEJ,Polyketides,Cyclic polyketides,4-pyrone derivatives,Panax ginseng,524063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax ginseng'],4,0,7.6722118854522705 28928,912,62,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.918053,ISDB,YGSIRXHFAUFUEJ-GPTQDWHKSA-N,"InChI=1S/C12H16O8/c1-5-11(6(14)2-3-18-5)20-12-10(17)9(16)8(15)7(4-13)19-12/h2-3,7-10,12-13,15-17H,4H2,1H3/t7-,8-,9+,10-,12+/m1/s1",Cc1occc(=O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C12H16O8,,288.084517472,YGSIRXHFAUFUEJ,Polyketides,Cyclic polyketides,4-pyrone derivatives,Chaerophyllum hirsutum,815187.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Scandiceae'],['Chaerophyllum'],['Chaerophyllum hirsutum'],4,0,7.6722118854522705 28929,912,62,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.918053,ISDB,YGSIRXHFAUFUEJ-GPTQDWHKSA-N,"InChI=1S/C12H16O8/c1-5-11(6(14)2-3-18-5)20-12-10(17)9(16)8(15)7(4-13)19-12/h2-3,7-10,12-13,15-17H,4H2,1H3/t7-,8-,9+,10-,12+/m1/s1",Cc1occc(=O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C12H16O8,,288.084517472,YGSIRXHFAUFUEJ,Polyketides,Cyclic polyketides,4-pyrone derivatives,Aeschynanthus bracteatus,154188.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Gesneriaceae'],['Trichosporeae'],['Aeschynanthus'],['Aeschynanthus bracteatus'],4,0,7.6722118854522705 28930,912,62,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.918053,ISDB,YGSIRXHFAUFUEJ-GPTQDWHKSA-N,"InChI=1S/C12H16O8/c1-5-11(6(14)2-3-18-5)20-12-10(17)9(16)8(15)7(4-13)19-12/h2-3,7-10,12-13,15-17H,4H2,1H3/t7-,8-,9+,10-,12+/m1/s1",Cc1occc(=O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C12H16O8,,288.084517472,YGSIRXHFAUFUEJ,Polyketides,Cyclic polyketides,4-pyrone derivatives,Turnera diffusa,92073.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Passifloraceae'],['Unknown'],['Turnera'],['Turnera diffusa'],4,0,7.6722118854522705 28931,912,62,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.918053,ISDB,YGSIRXHFAUFUEJ-GPTQDWHKSA-N,"InChI=1S/C12H16O8/c1-5-11(6(14)2-3-18-5)20-12-10(17)9(16)8(15)7(4-13)19-12/h2-3,7-10,12-13,15-17H,4H2,1H3/t7-,8-,9+,10-,12+/m1/s1",Cc1occc(=O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C12H16O8,,288.084517472,YGSIRXHFAUFUEJ,Polyketides,Cyclic polyketides,4-pyrone derivatives,Inulanthera nuda,7596867.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Inulanthera'],['Inulanthera nuda'],4,0,7.6722118854522705 28932,912,62,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.918053,ISDB,YGSIRXHFAUFUEJ-GPTQDWHKSA-N,"InChI=1S/C12H16O8/c1-5-11(6(14)2-3-18-5)20-12-10(17)9(16)8(15)7(4-13)19-12/h2-3,7-10,12-13,15-17H,4H2,1H3/t7-,8-,9+,10-,12+/m1/s1",Cc1occc(=O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C12H16O8,,288.084517472,YGSIRXHFAUFUEJ,Polyketides,Cyclic polyketides,4-pyrone derivatives,Prangos uloptera,413490.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Unknown'],['Prangos'],['Prangos uloptera'],4,0,7.6722118854522705 28933,912,62,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.918053,ISDB,YGSIRXHFAUFUEJ-GPTQDWHKSA-N,"InChI=1S/C12H16O8/c1-5-11(6(14)2-3-18-5)20-12-10(17)9(16)8(15)7(4-13)19-12/h2-3,7-10,12-13,15-17H,4H2,1H3/t7-,8-,9+,10-,12+/m1/s1",Cc1occc(=O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C12H16O8,,288.084517472,YGSIRXHFAUFUEJ,Polyketides,Cyclic polyketides,4-pyrone derivatives,Prangos tschimganica,3888519.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Unknown'],['Prangos'],['Prangos tschimganica'],4,0,7.6722118854522705 28934,912,62,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.918053,ISDB,YGSIRXHFAUFUEJ-GPTQDWHKSA-N,"InChI=1S/C12H16O8/c1-5-11(6(14)2-3-18-5)20-12-10(17)9(16)8(15)7(4-13)19-12/h2-3,7-10,12-13,15-17H,4H2,1H3/t7-,8-,9+,10-,12+/m1/s1",Cc1occc(=O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C12H16O8,,288.084517472,YGSIRXHFAUFUEJ,Polyketides,Cyclic polyketides,4-pyrone derivatives,Petrorhagia prolifera,312857.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Caryophylleae'],['Petrorhagia'],['Petrorhagia prolifera'],4,0,7.6722118854522705 28935,912,62,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.918053,ISDB,YGSIRXHFAUFUEJ-GPTQDWHKSA-N,"InChI=1S/C12H16O8/c1-5-11(6(14)2-3-18-5)20-12-10(17)9(16)8(15)7(4-13)19-12/h2-3,7-10,12-13,15-17H,4H2,1H3/t7-,8-,9+,10-,12+/m1/s1",Cc1occc(=O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C12H16O8,,288.084517472,YGSIRXHFAUFUEJ,Polyketides,Cyclic polyketides,4-pyrone derivatives,Petrorhagia nanteuilii,5143926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Caryophylleae'],['Petrorhagia'],['Petrorhagia nanteuilii'],4,0,7.6722118854522705 28936,912,62,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.918053,ISDB,YGSIRXHFAUFUEJ-GPTQDWHKSA-N,"InChI=1S/C12H16O8/c1-5-11(6(14)2-3-18-5)20-12-10(17)9(16)8(15)7(4-13)19-12/h2-3,7-10,12-13,15-17H,4H2,1H3/t7-,8-,9+,10-,12+/m1/s1",Cc1occc(=O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C12H16O8,,288.084517472,YGSIRXHFAUFUEJ,Polyketides,Cyclic polyketides,4-pyrone derivatives,Helichrysum italicum,54015.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Helichrysum'],['Helichrysum italicum'],4,0,7.6722118854522705 28924,908,-1,,,,0.0,MS1_match,CTRWBXOZUNMXCL-UHFFFAOYSA-N,"InChI=1S/C35H38O11/c1-21(36)42-20-34-25(44-26(38)17-16-23-12-8-6-9-13-23)18-19-33(5,41)35(34)29(43-22(2)37)27(32(3,4)46-35)28(39)30(34)45-31(40)24-14-10-7-11-15-24/h6-17,25,27,29-30,41H,18-20H2,1-5H3",CC(=O)OCC12C(OC(=O)C=Cc3ccccc3)CCC(C)(O)C13OC(C)(C)C(C(=O)C2OC(=O)c1ccccc1)C3OC(C)=O,C35H38O11,pos_1_1proton1methanol,634.241412036,CTRWBXOZUNMXCL,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Tripterygium wilfordii,300831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium wilfordii'],6,0,6.0 28925,908,-1,,,,0.0,MS1_match,CTRWBXOZUNMXCL-UHFFFAOYSA-N,"InChI=1S/C35H38O11/c1-21(36)42-20-34-25(44-26(38)17-16-23-12-8-6-9-13-23)18-19-33(5,41)35(34)29(43-22(2)37)27(32(3,4)46-35)28(39)30(34)45-31(40)24-14-10-7-11-15-24/h6-17,25,27,29-30,41H,18-20H2,1-5H3",CC(=O)OCC12C(OC(=O)C=Cc3ccccc3)CCC(C)(O)C13OC(C)(C)C(C(=O)C2OC(=O)c1ccccc1)C3OC(C)=O,C35H38O11,pos_1_1proton1methanol,634.241412036,CTRWBXOZUNMXCL,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Tripterygium hypoglaucum,906992.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium hypoglaucum'],6,0,6.0 28890,907,-1,,,,0.0,MS1_match,GWTUHAXUUFROTF-AVXJPILUSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-16(15(23)24)6-11(19)14(22)12(20)7-16/h1-5,11-12,14,17-20,22H,6-7H2,(H,23,24)/b4-2+/t11-,12-,14?,16?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC1(C(=O)O)C[C@@H](O)C(O)[C@H](O)C1,C16H18O9,pos_1_1potassium,354.0950821559999,GWTUHAXUUFROTF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],8,0,8.0 28891,907,-1,,,,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1potassium,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],8,0,8.0 28892,907,-1,,,,0.0,MS1_match,GWTUHAXUUFROTF-AVXJPILUSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-16(15(23)24)6-11(19)14(22)12(20)7-16/h1-5,11-12,14,17-20,22H,6-7H2,(H,23,24)/b4-2+/t11-,12-,14?,16?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC1(C(=O)O)C[C@@H](O)C(O)[C@H](O)C1,C16H18O9,pos_1_1potassium,354.0950821559999,GWTUHAXUUFROTF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],8,0,8.0 28893,907,-1,,,,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1potassium,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],8,0,8.0 28894,907,-1,,,,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1potassium,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera macrantha,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],8,0,8.0 28895,907,-1,,,,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1potassium,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera macrantha,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],8,0,8.0 28884,906,621,Alkaloids,Peptide alkaloids,Simple amide alkaloids,0.5204491,ISDB,ZOKXIFXOULCJPE-SAUXFKQKSA-N,"InChI=1S/C13H23NO2/c1-5-7-8-11(4)13(16)14-12(9-15)10(3)6-2/h5,7-8,10,12,15H,6,9H2,1-4H3,(H,14,16)/b7-5+,11-8+/t10-,12-/m0/s1",C/C=C/C=C(\C)C(=O)N[C@@H](CO)[C@@H](C)CC,C13H23NO2,,225.172878976,ZOKXIFXOULCJPE,Alkaloids,Peptide alkaloids,Simple amide alkaloids,Acremonium furcatum,871254.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Hypocreales'],['Bionectriaceae'],['Unknown'],['Acremonium'],['Acremonium furcatum'],1,3,4.581796407699585 28883,904,-1,,,,0.0,MS1_match,LSFCBUIGYCTVGI-UHFFFAOYSA-N,"InChI=1S/C26H28O14/c1-9-17(30)20(33)22(35)26(37-9)39-15-8-36-25(21(34)18(15)31)40-24-19(32)16-13(29)6-12(28)7-14(16)38-23(24)10-2-4-11(27)5-3-10/h2-7,9,15,17-18,20-22,25-31,33-35H,8H2,1H3",CC1OC(OC2COC(Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)C(O)C2O)C(O)C(O)C1O,C26H28O14,pos_1_sodium,564.147905576,LSFCBUIGYCTVGI,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euonymus alatus,601141.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus alatus'],8,0,8.0 28882,903,7,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.0,MS1_match,OOUTWVMJGMVRQF-NWYYEFBESA-N,"InChI=1S/C40H52O3/c1-28(17-13-19-30(3)21-23-34-32(5)36(41)25-26-39(34,7)8)15-11-12-16-29(2)18-14-20-31(4)22-24-35-33(6)38(43)37(42)27-40(35,9)10/h11-24,37,42H,25-27H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,28-15+,29-16+,30-19+,31-20+/t37-/m0/s1",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C(=O)[C@@H](O)CC2(C)C)C(C)(C)CCC1=O,C40H52O3,pos_1_1proton1methanol,580.391645524,OOUTWVMJGMVRQF,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Adonis annua,804994.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Adonideae'],['Adonis'],['Adonis annua'],6,3,7.5 28875,902,-1,,,,0.0,MS1_match,OFAIHLUXGCZDTK-SEDIIXAXSA-N,"InChI=1S/C33H44O11/c1-9-18(2)29(37)43-28-25(40-21(5)35)15-19(3)33-27(41-22(6)36)24(31(7,8)44-33)16-26(32(28,33)17-39-20(4)34)42-30(38)23-13-11-10-12-14-23/h10-14,18-19,24-28H,9,15-17H2,1-8H3/t18-,19-,24-,25+,26-,27-,28+,32-,33-/m1/s1",CC[C@@H](C)C(=O)O[C@H]1[C@@H](OC(C)=O)C[C@@H](C)[C@]23OC(C)(C)[C@H](C[C@@H](OC(=O)c4ccccc4)[C@]12COC(C)=O)[C@H]3OC(C)=O,C33H44O11,pos_1_minus1proton2sodium,616.288362228,OFAIHLUXGCZDTK,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Euonymus nanoides,5513354.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus nanoides'],7,0,7.0 28802,901,486,Shikimates and Phenylpropanoids,Cyclic polyketides,Cinnamic acids and derivatives,0.0,MS1_match,RUVINXPYWBROJD-UHFFFAOYSA-N,"InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3",CC=Cc1ccc(OC)cc1,C10H12O,pos_1_1proton1methanol,148.088815004,RUVINXPYWBROJD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,3,7.5 28738,900,-1,,,,0.20576283,ISDB,JJRYPZMXNLLZFH-URWSZGRFSA-N,"InChI=1S/C13H18O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,16H,8H2,1-4H3/b6-5+/t13-/m1/s1",CC(=O)/C=C/[C@@]1(O)C(C)=CC(=O)CC1(C)C,C13H18O3,,222.125594436,JJRYPZMXNLLZFH,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Tripterygium regelii,483028.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium regelii'],6,0,6.823051333427429 28739,900,-1,,,,0.20576283,ISDB,JJRYPZMXNLLZFH-URWSZGRFSA-N,"InChI=1S/C13H18O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,16H,8H2,1-4H3/b6-5+/t13-/m1/s1",CC(=O)/C=C/[C@@]1(O)C(C)=CC(=O)CC1(C)C,C13H18O3,,222.125594436,JJRYPZMXNLLZFH,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Tripterygium wilfordii,300831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium wilfordii'],6,0,6.823051333427429 28727,899,490,Terpenoids,Meroterpenoids,Merohemiterpenoids,0.27484983,ISDB,DHWMEIUMQKRKAS-XJKSGUPXSA-N,"InChI=1S/C18H22O6/c1-8(19)10-12(20)9-6-7-17(2,3)23-14(9)11-13(21)16(22)18(4,5)24-15(10)11/h6-7,13,16,20-22H,1-5H3/t13-,16+/m0/s1",CC(=O)c1c(O)c2c(c3c1OC(C)(C)[C@H](O)[C@H]3O)OC(C)(C)C=C2,C18H22O6,,334.141638424,DHWMEIUMQKRKAS,Terpenoids,Meroterpenoids,Merohemiterpenoids,Melicope erromangensis,6125470.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Melicope'],['Melicope erromangensis'],4,3,6.5993993282318115 28701,895,178,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.72572273,ISDB,VEZIKIAGFYZTCI-UHFFFAOYSA-N,"InChI=1S/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3",COC(=O)C=Cc1ccc(OC)cc1,C11H12O3,,192.078644244,VEZIKIAGFYZTCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Philotheca obovalis,6126545.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Philotheca'],['Philotheca obovalis'],4,1,7.402890920639038 28702,895,178,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.72572273,ISDB,VEZIKIAGFYZTCI-UHFFFAOYSA-N,"InChI=1S/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3",COC(=O)C=Cc1ccc(OC)cc1,C11H12O3,,192.078644244,VEZIKIAGFYZTCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Piper philippinum,290828.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper nudibaccatum'],4,1,7.402890920639038 28703,895,178,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.72572273,ISDB,VEZIKIAGFYZTCI-YVMONPNESA-N,"InChI=1S/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3/b8-5-",COC(=O)/C=C\c1ccc(OC)cc1,C11H12O3,,192.078644244,VEZIKIAGFYZTCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Haplophyllum latifolium,762596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Haplophyllum'],['Haplophyllum latifolium'],4,1,7.402890920639038 28704,895,178,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.72572273,ISDB,VEZIKIAGFYZTCI-UHFFFAOYSA-N,"InChI=1S/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3",COC(=O)C=Cc1ccc(OC)cc1,C11H12O3,,192.078644244,VEZIKIAGFYZTCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Scrophularia buergeriana,764427.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Scrophulariaceae'],['Scrophularieae'],['Scrophularia'],['Scrophularia buergeriana'],4,1,7.402890920639038 28705,895,178,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.72572273,ISDB,VEZIKIAGFYZTCI-UHFFFAOYSA-N,"InChI=1S/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3",COC(=O)C=Cc1ccc(OC)cc1,C11H12O3,,192.078644244,VEZIKIAGFYZTCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Gmelina asiatica,3883027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Gmelina'],['Gmelina asiatica'],4,1,7.402890920639038 28706,895,178,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.72572273,ISDB,VEZIKIAGFYZTCI-UHFFFAOYSA-N,"InChI=1S/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3",COC(=O)C=Cc1ccc(OC)cc1,C11H12O3,,192.078644244,VEZIKIAGFYZTCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Sideritis infernalis,218370.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Stachydeae'],['Sideritis'],['Sideritis infernalis'],4,1,7.402890920639038 28697,894,82,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.4150284,ISDB,WKQNRCYKYCKESD-UHFFFAOYSA-N,"InChI=1S/C26H48NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h6-7,9-10,12-13,25,28H,5,8,11,14-24H2,1-4H3",CCC=CCC=CCC=CCCCCCCCC(=O)OCC(O)COP(=O)([O-])OCC[N+](C)(C)C,C26H48NO7P,,517.316839506,WKQNRCYKYCKESD,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],4,3,7.160113573074341 28698,894,82,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.4150284,ISDB,WKQNRCYKYCKESD-YVHLTTHBSA-N,"InChI=1S/C26H48NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h6-7,9-10,12-13,25,28H,5,8,11,14-24H2,1-4H3/b7-6-,10-9-,13-12-/t25-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C,C26H48NO7P,,517.316839506,WKQNRCYKYCKESD,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Vitis vinifera,756728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Vitales'],['Vitaceae'],['Viteae'],['Vitis'],['Vitis vinifera'],4,3,7.160113573074341 28512,893,345,Shikimates and Phenylpropanoids,Lignans,Naphthalenes and derivatives,0.5741576,ISDB,VQTFXJZYQVWHJA-UHFFFAOYSA-N,"InChI=1S/C13H14O3/c1-8-6-9-4-5-10(14)13(16-3)12(9)11(7-8)15-2/h4-7,14H,1-3H3",COc1cc(C)cc2ccc(O)c(OC)c12,C13H14O3,,218.094294308,VQTFXJZYQVWHJA,Polyketides,Naphthalenes,Naphthalenes and derivatives,Diospyros celebica,1256.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ebenaceae'],['Unknown'],['Diospyros'],['Diospyros celebica'],4,3,7.796630382537842 28296,892,161,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,0.60322213,ISDB,SWYRVCGNMNAFEK-WENAFLHNSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17+,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Epimedium grandiflorum,655264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Berberidaceae'],['Unknown'],['Epimedium'],['Epimedium grandiflorum'],5,1,7.912888526916504 28286,890,607,Terpenoids,Sesquiterpenoids,Drimane sesquiterpenoids,0.0,MS1_match,SIEZSHWOPJNWFA-SQSDACCSSA-N,"InChI=1S/C32H40O14/c1-16(33)40-15-31-25(43-19(4)36)22(41-17(2)34)14-30(8,39)32(31)26(44-20(5)37)23(29(6,7)46-32)24(42-18(3)35)27(31)45-28(38)21-12-10-9-11-13-21/h9-13,22-27,39H,14-15H2,1-8H3/t22-,23+,24-,25-,26+,27-,30-,31-,32-/m0/s1",CC(=O)OC[C@]12[C@@H](OC(=O)c3ccccc3)[C@@H](OC(C)=O)[C@@H]3[C@@H](OC(C)=O)[C@]1(OC3(C)C)[C@@](C)(O)C[C@H](OC(C)=O)[C@@H]2OC(C)=O,C32H40O14,pos_2_2proton,648.2418059599999,SIEZSHWOPJNWFA,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Celastrus vulcanicola,458835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Celastrus'],['Celastrus vulcanicola'],6,2,7.0 28287,890,607,Terpenoids,Sesquiterpenoids,Drimane sesquiterpenoids,0.0,MS1_match,SIEZSHWOPJNWFA-SQSDACCSSA-N,"InChI=1S/C32H40O14/c1-16(33)40-15-31-25(43-19(4)36)22(41-17(2)34)14-30(8,39)32(31)26(44-20(5)37)23(29(6,7)46-32)24(42-18(3)35)27(31)45-28(38)21-12-10-9-11-13-21/h9-13,22-27,39H,14-15H2,1-8H3/t22-,23+,24-,25-,26+,27-,30-,31-,32-/m0/s1",CC(=O)OC[C@]12[C@@H](OC(=O)c3ccccc3)[C@@H](OC(C)=O)[C@@H]3[C@@H](OC(C)=O)[C@]1(OC3(C)C)[C@@](C)(O)C[C@H](OC(C)=O)[C@@H]2OC(C)=O,C32H40O14,pos_2_2proton,648.2418059599999,SIEZSHWOPJNWFA,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Celastrus vulcanicolus,458835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Celastrus'],['Celastrus vulcanicola'],6,2,7.0 28288,890,607,Terpenoids,Sesquiterpenoids,Drimane sesquiterpenoids,0.0,MS1_match,SIEZSHWOPJNWFA-UHFFFAOYSA-N,"InChI=1S/C32H40O14/c1-16(33)40-15-31-25(43-19(4)36)22(41-17(2)34)14-30(8,39)32(31)26(44-20(5)37)23(29(6,7)46-32)24(42-18(3)35)27(31)45-28(38)21-12-10-9-11-13-21/h9-13,22-27,39H,14-15H2,1-8H3",CC(=O)OCC12C(OC(C)=O)C(OC(C)=O)CC(C)(O)C13OC(C)(C)C(C(OC(C)=O)C2OC(=O)c1ccccc1)C3OC(C)=O,C32H40O14,pos_2_2proton,648.24180596,SIEZSHWOPJNWFA,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Celastrus angulatus,709269.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Celastrus'],['Celastrus angulatus'],6,2,7.0 28289,890,607,Terpenoids,Sesquiterpenoids,Drimane sesquiterpenoids,0.0,MS1_match,SIEZSHWOPJNWFA-SQSDACCSSA-N,"InChI=1S/C32H40O14/c1-16(33)40-15-31-25(43-19(4)36)22(41-17(2)34)14-30(8,39)32(31)26(44-20(5)37)23(29(6,7)46-32)24(42-18(3)35)27(31)45-28(38)21-12-10-9-11-13-21/h9-13,22-27,39H,14-15H2,1-8H3/t22-,23+,24-,25-,26+,27-,30-,31-,32-/m0/s1",CC(=O)OC[C@]12[C@@H](OC(=O)c3ccccc3)[C@@H](OC(C)=O)[C@@H]3[C@@H](OC(C)=O)[C@]1(OC3(C)C)[C@@](C)(O)C[C@H](OC(C)=O)[C@@H]2OC(C)=O,C32H40O14,pos_2_2proton,648.2418059599999,SIEZSHWOPJNWFA,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Celastrus vulcanicola,458835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Celastrus'],['Celastrus vulcanicola'],6,2,7.0 28290,890,607,Terpenoids,Sesquiterpenoids,Drimane sesquiterpenoids,0.0,MS1_match,SIEZSHWOPJNWFA-SQSDACCSSA-N,"InChI=1S/C32H40O14/c1-16(33)40-15-31-25(43-19(4)36)22(41-17(2)34)14-30(8,39)32(31)26(44-20(5)37)23(29(6,7)46-32)24(42-18(3)35)27(31)45-28(38)21-12-10-9-11-13-21/h9-13,22-27,39H,14-15H2,1-8H3/t22-,23+,24-,25-,26+,27-,30-,31-,32-/m0/s1",CC(=O)OC[C@]12[C@@H](OC(=O)c3ccccc3)[C@@H](OC(C)=O)[C@@H]3[C@@H](OC(C)=O)[C@]1(OC3(C)C)[C@@](C)(O)C[C@H](OC(C)=O)[C@@H]2OC(C)=O,C32H40O14,pos_2_2proton,648.2418059599999,SIEZSHWOPJNWFA,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Celastrus vulcanicolus,458835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Celastrus'],['Celastrus vulcanicola'],6,2,7.0 28291,890,607,Terpenoids,Sesquiterpenoids,Drimane sesquiterpenoids,0.0,MS1_match,SIEZSHWOPJNWFA-UHFFFAOYSA-N,"InChI=1S/C32H40O14/c1-16(33)40-15-31-25(43-19(4)36)22(41-17(2)34)14-30(8,39)32(31)26(44-20(5)37)23(29(6,7)46-32)24(42-18(3)35)27(31)45-28(38)21-12-10-9-11-13-21/h9-13,22-27,39H,14-15H2,1-8H3",CC(=O)OCC12C(OC(C)=O)C(OC(C)=O)CC(C)(O)C13OC(C)(C)C(C(OC(C)=O)C2OC(=O)c1ccccc1)C3OC(C)=O,C32H40O14,pos_2_2proton,648.24180596,SIEZSHWOPJNWFA,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Celastrus angulatus,709269.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Celastrus'],['Celastrus angulatus'],6,2,7.0 27340,889,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.64883184,ISDB,PFTAWBLQPZVEMU-UHFFFAOYSA-N,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2",Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2,C15H14O6,,290.07903816799995,PFTAWBLQPZVEMU,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Delphinium andersonii,591156.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium andersonii'],6,2,9.595327377319336 27341,889,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.64883184,ISDB,PFTAWBLQPZVEMU-UHFFFAOYSA-N,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2",Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2,C15H14O6,,290.07903816799995,PFTAWBLQPZVEMU,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Delphinium hohenackeri,591154.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitella'],['Aconitella hohenackeri'],6,2,9.595327377319336 27342,889,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.64883184,ISDB,PFTAWBLQPZVEMU-UHFFFAOYSA-N,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2",Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2,C15H14O6,,290.07903816799995,PFTAWBLQPZVEMU,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Consolida ajacis,756488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida ajacis'],6,2,9.595327377319336 27343,889,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.64883184,ISDB,PFTAWBLQPZVEMU-UHFFFAOYSA-N,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2",Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2,C15H14O6,,290.07903816799995,PFTAWBLQPZVEMU,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Delphinium ajacis,756488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida ajacis'],6,2,9.595327377319336 27339,885,-1,,,,0.0,MS1_match,GSLQFCAUUPKMEV-UHFFFAOYSA-N,"InChI=1S/C10H14O4/c1-7-2-3-8(9(13)4-7)10(14,5-11)6-12/h2-4,11-14H,5-6H2,1H3",Cc1ccc(C(O)(CO)CO)c(O)c1,C10H14O4,pos_1_1proton1methanol,198.089208928,GSLQFCAUUPKMEV,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Aconitum kongboense,723190.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum kongboense'],6,0,6.0 27337,883,595,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.33244735,ISDB,AUTADROYLXMWLA-PQWVYKBBSA-N,"InChI=1S/C41H44O22/c1-16-28(48)31(51)33(53)38(58-16)56-13-25-29(49)32(52)36(62-26(47)9-3-17-2-8-21(44)22(45)10-17)39(61-25)59-20-11-23(46)27-24(12-20)60-34(18-4-6-19(43)7-5-18)35(30(27)50)63-40-37(54)41(55,14-42)15-57-40/h2-12,16,25,28-29,31-33,36-40,42-46,48-49,51-55H,13-15H2,1H3/b9-3+/t16-,25-,28-,29+,31+,32+,33+,36-,37+,38+,39+,40+,41-/m0/s1",C[C@@H]1O[C@@H](OC[C@@H]2O[C@@H](Oc3cc(O)c4c(=O)c(O[C@H]5OC[C@@](O)(CO)[C@@H]5O)c(-c5ccc(O)cc5)oc4c3)[C@@H](OC(=O)/C=C/c3ccc(O)c(O)c3)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C41H44O22,,888.232423048,AUTADROYLXMWLA,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Silphium perfoliatum,464977.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Silphium'],['Silphium perfoliatum'],4,3,6.829789400100708 26803,881,464,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.21938713,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Catha edulis,282743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Catha'],['Catha edulis'],6,3,8.377548515796661 26789,878,541,Alkaloids,Monoterpenoids,Aporphine alkaloids,0.0,MS1_match,BGDMXWQJUGENQP-QPCLWJSESA-N,"InChI=1S/C21H34O11/c1-9(2)3-15(25)32-20-16-11(4-13(24)12(16)5-22)10(7-29-20)8-30-21-19(28)18(27)17(26)14(6-23)31-21/h7,9,11-14,16-24,26-28H,3-6,8H2,1-2H3/t11-,12+,13+,14-,16+,17-,18+,19-,20+,21-/m1/s1",CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2C[C@H](O)[C@H](CO)[C@@H]12,C21H34O11,pos_1_1proton1ammonium,462.2101119079999,BGDMXWQJUGENQP,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,2,7.0 26790,878,541,Alkaloids,Monoterpenoids,Aporphine alkaloids,0.0,MS1_match,BGDMXWQJUGENQP-QPCLWJSESA-N,"InChI=1S/C21H34O11/c1-9(2)3-15(25)32-20-16-11(4-13(24)12(16)5-22)10(7-29-20)8-30-21-19(28)18(27)17(26)14(6-23)31-21/h7,9,11-14,16-24,26-28H,3-6,8H2,1-2H3/t11-,12+,13+,14-,16+,17-,18+,19-,20+,21-/m1/s1",CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2C[C@H](O)[C@H](CO)[C@@H]12,C21H34O11,pos_1_1proton1ammonium,462.2101119079999,BGDMXWQJUGENQP,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana fauriei,228778.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana fauriei'],6,2,7.0 26791,878,541,Alkaloids,Monoterpenoids,Aporphine alkaloids,0.0,MS1_match,BGDMXWQJUGENQP-QPCLWJSESA-N,"InChI=1S/C21H34O11/c1-9(2)3-15(25)32-20-16-11(4-13(24)12(16)5-22)10(7-29-20)8-30-21-19(28)18(27)17(26)14(6-23)31-21/h7,9,11-14,16-24,26-28H,3-6,8H2,1-2H3/t11-,12+,13+,14-,16+,17-,18+,19-,20+,21-/m1/s1",CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2C[C@H](O)[C@H](CO)[C@@H]12,C21H34O11,pos_1_1proton1ammonium,462.2101119079999,BGDMXWQJUGENQP,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia gibbosa,231859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia gibbosa'],6,2,7.0 26792,878,541,Alkaloids,Monoterpenoids,Aporphine alkaloids,0.0,MS1_match,BGDMXWQJUGENQP-UHFFFAOYSA-N,"InChI=1S/C21H34O11/c1-9(2)3-15(25)32-20-16-11(4-13(24)12(16)5-22)10(7-29-20)8-30-21-19(28)18(27)17(26)14(6-23)31-21/h7,9,11-14,16-24,26-28H,3-6,8H2,1-2H3",CC(C)CC(=O)OC1OC=C(COC2OC(CO)C(O)C(O)C2O)C2CC(O)C(CO)C12,C21H34O11,pos_1_1proton1ammonium,462.2101119079999,BGDMXWQJUGENQP,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia scabiosifolia,231856.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia scabiosifolia'],6,2,7.0 26793,878,541,Alkaloids,Monoterpenoids,Aporphine alkaloids,0.0,MS1_match,BGDMXWQJUGENQP-QPCLWJSESA-N,"InChI=1S/C21H34O11/c1-9(2)3-15(25)32-20-16-11(4-13(24)12(16)5-22)10(7-29-20)8-30-21-19(28)18(27)17(26)14(6-23)31-21/h7,9,11-14,16-24,26-28H,3-6,8H2,1-2H3/t11-,12+,13+,14-,16+,17-,18+,19-,20+,21-/m1/s1",CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2C[C@H](O)[C@H](CO)[C@@H]12,C21H34O11,pos_1_1proton1ammonium,462.2101119079999,BGDMXWQJUGENQP,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,2,7.0 26794,878,541,Alkaloids,Monoterpenoids,Aporphine alkaloids,0.0,MS1_match,BGDMXWQJUGENQP-QPCLWJSESA-N,"InChI=1S/C21H34O11/c1-9(2)3-15(25)32-20-16-11(4-13(24)12(16)5-22)10(7-29-20)8-30-21-19(28)18(27)17(26)14(6-23)31-21/h7,9,11-14,16-24,26-28H,3-6,8H2,1-2H3/t11-,12+,13+,14-,16+,17-,18+,19-,20+,21-/m1/s1",CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2C[C@H](O)[C@H](CO)[C@@H]12,C21H34O11,pos_1_1proton1ammonium,462.2101119079999,BGDMXWQJUGENQP,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana fauriei,228778.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana fauriei'],6,2,7.0 26795,878,541,Alkaloids,Monoterpenoids,Aporphine alkaloids,0.0,MS1_match,BGDMXWQJUGENQP-QPCLWJSESA-N,"InChI=1S/C21H34O11/c1-9(2)3-15(25)32-20-16-11(4-13(24)12(16)5-22)10(7-29-20)8-30-21-19(28)18(27)17(26)14(6-23)31-21/h7,9,11-14,16-24,26-28H,3-6,8H2,1-2H3/t11-,12+,13+,14-,16+,17-,18+,19-,20+,21-/m1/s1",CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2C[C@H](O)[C@H](CO)[C@@H]12,C21H34O11,pos_1_1proton1ammonium,462.2101119079999,BGDMXWQJUGENQP,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia gibbosa,231859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia gibbosa'],6,2,7.0 26796,878,541,Alkaloids,Monoterpenoids,Aporphine alkaloids,0.0,MS1_match,BGDMXWQJUGENQP-UHFFFAOYSA-N,"InChI=1S/C21H34O11/c1-9(2)3-15(25)32-20-16-11(4-13(24)12(16)5-22)10(7-29-20)8-30-21-19(28)18(27)17(26)14(6-23)31-21/h7,9,11-14,16-24,26-28H,3-6,8H2,1-2H3",CC(C)CC(=O)OC1OC=C(COC2OC(CO)C(O)C(O)C2O)C2CC(O)C(CO)C12,C21H34O11,pos_1_1proton1ammonium,462.2101119079999,BGDMXWQJUGENQP,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia scabiosifolia,231856.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia scabiosifolia'],6,2,7.0 26797,878,541,Alkaloids,Monoterpenoids,Aporphine alkaloids,0.0,MS1_match,RKKLMLPXHGWOKI-FXHXVMKNSA-N,"InChI=1S/C21H34O11/c1-10-5-31-21(11(2)3-4-12(10)21)9-30-18-16(25)15(24)14(23)13(32-18)6-28-19-17(26)20(27,7-22)8-29-19/h3,10,12-19,22-27H,4-9H2,1-2H3/t10-,12-,13-,14-,15+,16-,17+,18-,19-,20-,21-/m1/s1",CC1=CC[C@@H]2[C@H](C)CO[C@]12CO[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C21H34O11,pos_1_1proton1ammonium,462.2101119079999,RKKLMLPXHGWOKI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia scabra,68239.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia scabra'],6,2,7.0 26798,878,541,Alkaloids,Monoterpenoids,Aporphine alkaloids,0.0,MS1_match,LANCLZFYVLANQS-RHMPUOGUSA-N,"InChI=1S/C21H34O11/c1-9(2)4-14(24)32-19-15-11(5-13(23)21(15,3)28)10(7-29-19)8-30-20-18(27)17(26)16(25)12(6-22)31-20/h7,9,11-13,15-20,22-23,25-28H,4-6,8H2,1-3H3/t11-,12-,13+,15-,16-,17+,18-,19+,20-,21-/m1/s1",CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2C[C@H](O)[C@@](C)(O)[C@@H]12,C21H34O11,pos_1_1proton1ammonium,462.210111908,LANCLZFYVLANQS,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,2,7.0 26799,878,541,Alkaloids,Monoterpenoids,Aporphine alkaloids,0.0,MS1_match,LANCLZFYVLANQS-RHMPUOGUSA-N,"InChI=1S/C21H34O11/c1-9(2)4-14(24)32-19-15-11(5-13(23)21(15,3)28)10(7-29-19)8-30-20-18(27)17(26)16(25)12(6-22)31-20/h7,9,11-13,15-20,22-23,25-28H,4-6,8H2,1-3H3/t11-,12-,13+,15-,16-,17+,18-,19+,20-,21-/m1/s1",CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2C[C@H](O)[C@@](C)(O)[C@@H]12,C21H34O11,pos_1_1proton1ammonium,462.210111908,LANCLZFYVLANQS,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia gibbosa,231859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia gibbosa'],6,2,7.0 26788,877,576,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),,0.0,MS1_match,LAQYHRQFABOIFD-UHFFFAOYSA-N,"InChI=1S/C7H8O3/c1-10-7-4-5(8)2-3-6(7)9/h2-4,8-9H,1H3",COc1cc(O)ccc1O,C7H8O3,pos_1_1proton1ammonium,140.047344116,LAQYHRQFABOIFD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),,Celastrus flagellaris,709260.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Celastrus'],['Celastrus flagellaris'],6,2,7.0 26529,874,571,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.9354539,ISDB,FDRQPMVGJOQVTL-DEFKTLOSSA-N,"InChI=1S/C27H30O17/c28-6-14-17(33)20(36)22(38)26(42-14)40-7-15-18(34)21(37)23(39)27(43-15)44-25-19(35)16-12(32)4-9(29)5-13(16)41-24(25)8-1-2-10(30)11(31)3-8/h1-5,14-15,17-18,20-23,26-34,36-39H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,23-,26-,27+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,,626.1482995,FDRQPMVGJOQVTL,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus pseudotrullifolius,456902.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus pseudotrullifolius'],6,3,11.241815567016602 26530,874,571,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.9354539,ISDB,FDRQPMVGJOQVTL-DEFKTLOSSA-N,"InChI=1S/C27H30O17/c28-6-14-17(33)20(36)22(38)26(42-14)40-7-15-18(34)21(37)23(39)27(43-15)44-25-19(35)16-12(32)4-9(29)5-13(16)41-24(25)8-1-2-10(30)11(31)3-8/h1-5,14-15,17-18,20-23,26-34,36-39H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,23-,26-,27+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,,626.1482995,FDRQPMVGJOQVTL,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus moseleyi,6132641.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus moseleyi'],6,3,11.241815567016602 26531,874,571,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.9354539,ISDB,FDRQPMVGJOQVTL-DEFKTLOSSA-N,"InChI=1S/C27H30O17/c28-6-14-17(33)20(36)22(38)26(42-14)40-7-15-18(34)21(37)23(39)27(43-15)44-25-19(35)16-12(32)4-9(29)5-13(16)41-24(25)8-1-2-10(30)11(31)3-8/h1-5,14-15,17-18,20-23,26-34,36-39H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,23-,26-,27+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,,626.1482995,FDRQPMVGJOQVTL,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus biternatus,692884.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus biternatus'],6,3,11.241815567016602 26464,873,15,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,0.8001274,ISDB,BXBVPYSHEOQGHP-UHFFFAOYSA-N,"InChI=1S/C17H26O4/c1-13(2)7-5-4-6-8-17(19)21-12-14-9-10-15(18)16(11-14)20-3/h9-11,13,18H,4-8,12H2,1-3H3",COc1cc(COC(=O)CCCCCC(C)C)ccc1O,C17H26O4,,294.183109312,BXBVPYSHEOQGHP,Alkaloids,Pseudoalkaloids,Capsaicins and Capsaicinoids,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],4,0,7.200509548187256 26412,872,53,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.41431364,ISDB,MLYOGKJJENFVJN-BTDICHCPSA-N,"InChI=1S/C13H18O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-7,12H,8H2,1-4H3/b6-5+/t12-/m1/s1",CC(=O)/C=C/[C@@H]1C(C)=CC(=O)CC1(C)C,C13H18O2,,206.130679816,MLYOGKJJENFVJN,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Viburnum dilatatum,205155.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Adoxaceae'],['Unknown'],['Viburnum'],['Viburnum dilatatum'],5,3,8.157254576683044 26407,869,-1,,,,0.0,MS1_match,TUOQDKWZMVPMKF-FWBAFIGCSA-N,"InChI=1S/C32H34O12/c1-17-12-23(41-27(34)19-6-9-37-14-19)26(40-18(2)33)31(5)24(42-28(35)20-7-10-38-15-20)13-22-25(32(17,31)44-30(22,3)4)43-29(36)21-8-11-39-16-21/h6-11,14-17,22-26H,12-13H2,1-5H3/t17-,22-,23+,24+,25-,26+,31-,32-/m1/s1",CC(=O)O[C@H]1[C@@H](OC(=O)c2ccoc2)C[C@@H](C)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)c4ccoc4)[C@]12C)[C@H]3OC(=O)c1ccoc1,C32H34O12,pos_1_1proton1methanol,610.2050265279998,TUOQDKWZMVPMKF,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Celastrus orbiculatus,56757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Celastrus'],['Celastrus orbiculatus'],6,0,6.0 26402,868,200,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.70533985,ISDB,YAMUFBLWGFFICM-PTGWMXDISA-N,"InChI=1S/C26H52NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h12-13,25,28H,5-11,14-24H2,1-4H3/b13-12-/t25-/m1/s1",CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C,C26H52NO7P,,521.348139634,YAMUFBLWGFFICM,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Trypanosoma brucei,494245.0,['Eukaryota'],['Unknown'],['Unknown'],['Unknown'],['Kinetoplastea'],['Unknown'],['Unknown'],['Trypanosoma'],['Trypanosoma brucei'],1,3,5.321359395980835 26401,864,72,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.20087576,ISDB,,,,,,,STNMCYGVYVEEFU,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.8035030364990234 26398,863,72,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.21589819,ISDB,,,,,,,RZNKFJZERMQCFT,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.8635927438735962 26397,862,1286,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,AYHOUUNTAVCXBN-CYBMUJFWSA-N,"InChI=1S/C15H12O6/c16-8-1-7(2-9(17)3-8)13-6-12(20)15-11(19)4-10(18)5-14(15)21-13/h1-5,13,16-19H,6H2/t13-/m1/s1",O=C1C[C@H](c2cc(O)cc(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,pos_1_1proton,288.063388104,AYHOUUNTAVCXBN,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Celastrus flagellaris,709260.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Celastrus'],['Celastrus flagellaris'],6,3,7.5 26391,861,739,Alkaloids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,YWNUNVSMOKMJMG-LJAQVGFWSA-N,"InChI=1S/C38H40N2O7/c1-40-16-14-26-34-29(40)18-23-9-12-30(41-2)32(19-23)46-25-10-7-22(8-11-25)17-28-27-21-33(31(42-3)20-24(27)13-15-39-28)47-36(34)38(45-6)37(44-5)35(26)43-4/h7-12,19-21,29H,13-18H2,1-6H3/t29-/m0/s1",COc1ccc2cc1Oc1ccc(cc1)CC1=NCCc3cc(OC)c(cc31)Oc1c(OC)c(OC)c(OC)c3c1[C@H](C2)N(C)CC3,C38H40N2O7,pos_1_1proton2acetonitrile,636.28355162,YWNUNVSMOKMJMG,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Thalictrum simplex,243507.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum simplex'],6,1,6.5 26392,861,739,Alkaloids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,YWNUNVSMOKMJMG-UHFFFAOYSA-N,"InChI=1S/C38H40N2O7/c1-40-16-14-26-34-29(40)18-23-9-12-30(41-2)32(19-23)46-25-10-7-22(8-11-25)17-28-27-21-33(31(42-3)20-24(27)13-15-39-28)47-36(34)38(45-6)37(44-5)35(26)43-4/h7-12,19-21,29H,13-18H2,1-6H3",COc1ccc2cc1Oc1ccc(cc1)CC1=NCCc3cc(OC)c(cc31)Oc1c(OC)c(OC)c(OC)c3c1C(C2)N(C)CC3,C38H40N2O7,pos_1_1proton2acetonitrile,636.28355162,YWNUNVSMOKMJMG,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Thalictrum dasycarpum,421841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum dasycarpum'],6,1,6.5 26393,861,739,Alkaloids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,YWNUNVSMOKMJMG-UHFFFAOYSA-N,"InChI=1S/C38H40N2O7/c1-40-16-14-26-34-29(40)18-23-9-12-30(41-2)32(19-23)46-25-10-7-22(8-11-25)17-28-27-21-33(31(42-3)20-24(27)13-15-39-28)47-36(34)38(45-6)37(44-5)35(26)43-4/h7-12,19-21,29H,13-18H2,1-6H3",COc1ccc2cc1Oc1ccc(cc1)CC1=NCCc3cc(OC)c(cc31)Oc1c(OC)c(OC)c(OC)c3c1C(C2)N(C)CC3,C38H40N2O7,pos_1_1proton2acetonitrile,636.28355162,YWNUNVSMOKMJMG,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Thalictrum lucidum,977702.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum lucidum'],6,1,6.5 26394,861,739,Alkaloids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,YWNUNVSMOKMJMG-UHFFFAOYSA-N,"InChI=1S/C38H40N2O7/c1-40-16-14-26-34-29(40)18-23-9-12-30(41-2)32(19-23)46-25-10-7-22(8-11-25)17-28-27-21-33(31(42-3)20-24(27)13-15-39-28)47-36(34)38(45-6)37(44-5)35(26)43-4/h7-12,19-21,29H,13-18H2,1-6H3",COc1ccc2cc1Oc1ccc(cc1)CC1=NCCc3cc(OC)c(cc31)Oc1c(OC)c(OC)c(OC)c3c1C(C2)N(C)CC3,C38H40N2O7,pos_1_1proton2acetonitrile,636.28355162,YWNUNVSMOKMJMG,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Thalictrum rugosum,421841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum dasycarpum'],6,1,6.5 26395,861,739,Alkaloids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,YWNUNVSMOKMJMG-UHFFFAOYSA-N,"InChI=1S/C38H40N2O7/c1-40-16-14-26-34-29(40)18-23-9-12-30(41-2)32(19-23)46-25-10-7-22(8-11-25)17-28-27-21-33(31(42-3)20-24(27)13-15-39-28)47-36(34)38(45-6)37(44-5)35(26)43-4/h7-12,19-21,29H,13-18H2,1-6H3",COc1ccc2cc1Oc1ccc(cc1)CC1=NCCc3cc(OC)c(cc31)Oc1c(OC)c(OC)c(OC)c3c1C(C2)N(C)CC3,C38H40N2O7,pos_1_1proton2acetonitrile,636.28355162,YWNUNVSMOKMJMG,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Thalictrum foliolosum,124406.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum foliolosum'],6,1,6.5 26396,861,739,Alkaloids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,MWGNKNYAZMCDHD-VMPREFPWSA-N,"InChI=1S/C38H40N2O7/c1-39-12-10-22-16-30(42-2)33-19-27(22)28(39)14-21-6-8-25(9-7-21)46-32-17-23-15-29-34-26(11-13-40(29)20-24(23)18-31(32)43-3)35(41)37(44-4)38(45-5)36(34)47-33/h6-9,16-19,28-29,41H,10-15,20H2,1-5H3/t28-,29-/m0/s1",COc1cc2c3cc1Oc1ccc(cc1)C[C@H]1c4cc(c(OC)cc4CCN1C)Oc1c(OC)c(OC)c(O)c4c1[C@H](C3)N(CC4)C2,C38H40N2O7,pos_1_1proton2acetonitrile,636.28355162,MWGNKNYAZMCDHD,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Thalictrum longistylum,6133329.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum longistylum'],6,1,6.5 26388,860,53,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.5590429,ISDB,JUSSIJFTWFUOLF-UHFFFAOYSA-N,"InChI=1S/C13H16O2/c1-8-4-5-12(14)11-6-9(2)13(15-3)7-10(8)11/h6-8H,4-5H2,1-3H3",COc1cc2c(cc1C)C(=O)CCC2C,C13H16O2,,204.115029752,JUSSIJFTWFUOLF,Terpenoids,,,Aristolochia constricta,6028729.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Aristolochiaceae'],['Unknown'],['Aristolochia'],['Aristolochia constricta'],4,1,6.73617148399353 26377,858,-1,,,,0.0,MS1_match,KNFOHFRALRKTOJ-SAOYRWCPSA-N,"InChI=1S/C26H34O11/c1-33-19-8-13(3-5-17(19)29)7-15-12-35-25(16(15)10-27)14-4-6-18(20(9-14)34-2)36-26-24(32)23(31)22(30)21(11-28)37-26/h3-6,8-9,15-16,21-32H,7,10-12H2,1-2H3/t15-,16-,21+,22+,23-,24+,25+,26+/m0/s1",COc1cc(C[C@H]2CO[C@H](c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c3)[C@H]2CO)ccc1O,C26H34O11,pos_1_sodium,522.2101119079998,KNFOHFRALRKTOJ,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Clematis stans,21283.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis stans'],8,0,8.0 26378,858,-1,,,,0.0,MS1_match,KNFOHFRALRKTOJ-DTIHIKGDSA-N,"InChI=1S/C26H34O11/c1-33-19-8-13(3-5-17(19)29)7-15-12-35-25(16(15)10-27)14-4-6-18(20(9-14)34-2)36-26-24(32)23(31)22(30)21(11-28)37-26/h3-6,8-9,15-16,21-32H,7,10-12H2,1-2H3/t15-,16-,21-,22-,23+,24-,25+,26-/m1/s1",COc1cc(C[C@@H]2CO[C@@H](c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c3)[C@@H]2CO)ccc1O,C26H34O11,pos_1_sodium,522.2101119079998,KNFOHFRALRKTOJ,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Clematis hexapetala,226633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis hexapetala'],8,0,8.0 26379,858,-1,,,,0.0,MS1_match,GAYKAIAESJROGN-SAOYRWCPSA-N,"InChI=1S/C26H34O11/c1-33-19-9-14(4-5-17(19)29)25-16(10-27)15(12-35-25)7-13-3-6-18(20(8-13)34-2)36-26-24(32)23(31)22(30)21(11-28)37-26/h3-6,8-9,15-16,21-32H,7,10-12H2,1-2H3/t15-,16-,21+,22+,23-,24+,25+,26+/m0/s1",COc1cc([C@H]2OC[C@H](Cc3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c3)[C@@H]2CO)ccc1O,C26H34O11,pos_1_sodium,522.2101119079998,GAYKAIAESJROGN,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Clematis stans,21283.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis stans'],8,0,8.0 26380,858,-1,,,,0.0,MS1_match,GAYKAIAESJROGN-DTIHIKGDSA-N,"InChI=1S/C26H34O11/c1-33-19-9-14(4-5-17(19)29)25-16(10-27)15(12-35-25)7-13-3-6-18(20(8-13)34-2)36-26-24(32)23(31)22(30)21(11-28)37-26/h3-6,8-9,15-16,21-32H,7,10-12H2,1-2H3/t15-,16-,21-,22-,23+,24-,25+,26-/m1/s1",COc1cc([C@@H]2OC[C@@H](Cc3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c3)[C@H]2CO)ccc1O,C26H34O11,pos_1_sodium,522.210111908,GAYKAIAESJROGN,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Clematis hexapetala,226633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis hexapetala'],8,0,8.0 26381,858,-1,,,,0.0,MS1_match,GAYKAIAESJROGN-SAOYRWCPSA-N,"InChI=1S/C26H34O11/c1-33-19-9-14(4-5-17(19)29)25-16(10-27)15(12-35-25)7-13-3-6-18(20(8-13)34-2)36-26-24(32)23(31)22(30)21(11-28)37-26/h3-6,8-9,15-16,21-32H,7,10-12H2,1-2H3/t15-,16-,21+,22+,23-,24+,25+,26+/m0/s1",COc1cc([C@H]2OC[C@H](Cc3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c3)[C@@H]2CO)ccc1O,C26H34O11,pos_1_sodium,522.2101119079998,GAYKAIAESJROGN,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Clematis stans,21283.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis stans'],8,0,8.0 26382,858,-1,,,,0.0,MS1_match,GAYKAIAESJROGN-DTIHIKGDSA-N,"InChI=1S/C26H34O11/c1-33-19-9-14(4-5-17(19)29)25-16(10-27)15(12-35-25)7-13-3-6-18(20(8-13)34-2)36-26-24(32)23(31)22(30)21(11-28)37-26/h3-6,8-9,15-16,21-32H,7,10-12H2,1-2H3/t15-,16-,21-,22-,23+,24-,25+,26-/m1/s1",COc1cc([C@@H]2OC[C@@H](Cc3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c3)[C@H]2CO)ccc1O,C26H34O11,pos_1_sodium,522.210111908,GAYKAIAESJROGN,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Clematis hexapetala,226633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis hexapetala'],8,0,8.0 26376,855,116,Alkaloids,Ornithine alkaloids,Polyamines,0.0,MS1_match,DLNKOYKMWOXYQA-VXNVDRBHSA-N,"InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3/t7-,9-/m1/s1",C[C@@H](N)[C@@H](O)c1ccccc1,C9H13NO,pos_1_1proton1acetonitrile,151.099714036,DLNKOYKMWOXYQA,Alkaloids,Pseudoalkaloids,Phenylalanine-derived alkaloids,Catha edulis,282743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Catha'],['Catha edulis'],6,1,6.5 26369,854,6,Terpenoids,Diterpenoids,Oleanane triterpenoids,0.0,MS1_match,USMYUFNGIMZGOD-VVYIQUKOSA-N,"InChI=1S/C32H56O14/c1-29(2)17-6-10-31(4)18(30(17,3)9-8-19(29)44-27-25(40)23(38)21(36)15(12-33)42-27)7-11-32(5,46-31)20(14-35)45-28-26(41)24(39)22(37)16(13-34)43-28/h15-28,33-41H,6-14H2,1-5H3/t15-,16-,17-,18+,19-,20+,21-,22-,23+,24+,25-,26-,27+,28+,30-,31+,32-/m1/s1",CC1(C)[C@H]2CC[C@]3(C)O[C@@](C)([C@H](CO)O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)CC[C@H]3[C@]2(C)CC[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C32H56O14,pos_1_1proton2acetonitrile,664.367006472,USMYUFNGIMZGOD,Terpenoids,Diterpenoids,,Microtropis japonica,828316.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Microtropis'],['Microtropis japonica'],6,2,7.0 26370,854,6,Terpenoids,Diterpenoids,Oleanane triterpenoids,0.0,MS1_match,UGXGNDFGUYJPTJ-SVVOPOECSA-N,"InChI=1S/C32H56O14/c1-29(2)17-6-10-31(4)18(30(17,3)9-8-20(29)45-28-26(41)24(39)22(37)16(13-34)44-28)7-11-32(5,46-31)19(35)14-42-27-25(40)23(38)21(36)15(12-33)43-27/h15-28,33-41H,6-14H2,1-5H3/t15-,16-,17-,18+,19+,20-,21-,22-,23+,24+,25-,26-,27-,28+,30-,31+,32-/m1/s1",CC1(C)[C@H]2CC[C@]3(C)O[C@@](C)([C@@H](O)CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)CC[C@H]3[C@]2(C)CC[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C32H56O14,pos_1_1proton2acetonitrile,664.367006472,UGXGNDFGUYJPTJ,Terpenoids,Diterpenoids,,Microtropis japonica,828316.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Microtropis'],['Microtropis japonica'],6,2,7.0 26365,853,58,Polyketides,Glycerolipids,Glycosyldiacylglycerols,0.59199685,ISDB,DBHKHNGBVGWQJE-USWSLJGRSA-N,"InChI=1S/C23H44NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)29-20-22(25)21-31-32(27,28)30-19-18-24/h6-7,9-10,22,25H,2-5,8,11-21,24H2,1H3,(H,27,28)/b7-6-,10-9-/t22-/m1/s1",CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OCCN,C23H44NO7P,,477.285539378,DBHKHNGBVGWQJE,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,Vitis vinifera,756728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Vitales'],['Vitaceae'],['Viteae'],['Vitis'],['Vitis vinifera'],4,0,6.367987394332886 26360,850,432,Polyketides,Glycerolipids,Glycosyldiacylglycerols,0.507152,ISDB,DKCTUWGBNPXOKV-FNJLGOJISA-N,"InChI=1S/C52H80O15/c1-30-24-41(65-52(27-30)43(55)13-12-37(64-52)28-49(7,58)48(57)60-29-31(2)25-42-38(53)17-23-59-42)32(3)10-11-36-15-20-51(63-36)21-16-40-47(67-51)44(56)35(6)46(62-40)39(54)26-34(5)45-33(4)14-19-50(66-45)18-8-9-22-61-50/h10-11,25,27,32-34,36-47,53-56,58H,6,8-9,12-24,26,28-29H2,1-5,7H3/b11-10+,31-25+/t32-,33-,34+,36+,37+,38-,39+,40-,41+,42+,43-,44-,45-,46+,47-,49-,50+,51-,52-/m1/s1",C=C1[C@@H](O)[C@@H]2O[C@]3(CC[C@H](/C=C/[C@@H](C)[C@@H]4CC(C)=C[C@@]5(O[C@H](C[C@@](C)(O)C(=O)OC/C(C)=C/[C@@H]6OCC[C@H]6O)CC[C@H]5O)O4)O3)CC[C@H]2O[C@@H]1[C@@H](O)C[C@H](C)[C@@H]1O[C@@]2(CCCCO2)CC[C@H]1C,C52H80O15,,944.54972186,DKCTUWGBNPXOKV,Polyketides,Polyethers,Polyether ionophores,Prorocentrum lima,5986377.0,['Eukaryota'],['Unknown'],['Ciliophora'],['Colpodea'],['Cyrtolophosidida'],['Unknown'],['Unknown'],['Aristerostoma'],['Prorocentrum lima'],1,1,3.5286080837249756 26361,850,432,Polyketides,Glycerolipids,Glycosyldiacylglycerols,0.507152,ISDB,DKCTUWGBNPXOKV-FNJLGOJISA-N,"InChI=1S/C52H80O15/c1-30-24-41(65-52(27-30)43(55)13-12-37(64-52)28-49(7,58)48(57)60-29-31(2)25-42-38(53)17-23-59-42)32(3)10-11-36-15-20-51(63-36)21-16-40-47(67-51)44(56)35(6)46(62-40)39(54)26-34(5)45-33(4)14-19-50(66-45)18-8-9-22-61-50/h10-11,25,27,32-34,36-47,53-56,58H,6,8-9,12-24,26,28-29H2,1-5,7H3/b11-10+,31-25+/t32-,33-,34+,36+,37+,38-,39+,40-,41+,42+,43-,44-,45-,46+,47-,49-,50+,51-,52-/m1/s1",C=C1[C@@H](O)[C@@H]2O[C@]3(CC[C@H](/C=C/[C@@H](C)[C@@H]4CC(C)=C[C@@]5(O[C@H](C[C@@](C)(O)C(=O)OC/C(C)=C/[C@@H]6OCC[C@H]6O)CC[C@H]5O)O4)O3)CC[C@H]2O[C@@H]1[C@@H](O)C[C@H](C)[C@@H]1O[C@@]2(CCCCO2)CC[C@H]1C,C52H80O15,,944.54972186,DKCTUWGBNPXOKV,Polyketides,Polyethers,Polyether ionophores,Conticribra weissflogii,932038.0,['Eukaryota'],['Unknown'],['Bacillariophyta'],['Mediophyceae'],['Unknown'],['Unknown'],['Unknown'],['Thalassiosira'],['Unknown'],1,1,3.5286080837249756 26357,847,-1,,,,0.0,MS1_match,WKOLLVMJNQIZCI-UHFFFAOYSA-N,"InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)",COc1cc(C(=O)O)ccc1O,C8H8O4,pos_2MH,168.042258736,WKOLLVMJNQIZCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Dipsacus inermis,776357.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Dipsacus'],['Dipsacus inermis'],6,0,6.0 26358,847,-1,,,,0.0,MS1_match,WKOLLVMJNQIZCI-UHFFFAOYSA-N,"InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)",COc1cc(C(=O)O)ccc1O,C8H8O4,pos_2MH,168.042258736,WKOLLVMJNQIZCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Dipsacus asper,365911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Dipsacus'],['Dipsacus asper'],6,0,6.0 26012,846,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.5561653,ISDB,FNUPUYFWZXZMIE-UHFFFAOYSA-N,"InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H",O=C1c2ccc(O)cc2OC(c2ccc(O)c(O)c2)C1O,C15H12O6,,288.063388104,FNUPUYFWZXZMIE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Acacia fasciculifera,633799.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia fasciculifera'],4,2,7.224661111831665 26013,846,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.5561653,ISDB,FNUPUYFWZXZMIE-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2ccc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O6,,288.063388104,FNUPUYFWZXZMIE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Virgilia oroboides,761236.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Podalyrieae'],['Virgilia'],['Virgilia oroboides'],4,2,7.224661111831665 26014,846,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.5561653,ISDB,FNUPUYFWZXZMIE-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2ccc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O6,,288.063388104,FNUPUYFWZXZMIE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Toxicodendron vernicifluum,350856.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Anacardiaceae'],['Unknown'],['Toxicodendron'],['Toxicodendron vernicifluum'],4,2,7.224661111831665 26015,846,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.5561653,ISDB,FNUPUYFWZXZMIE-UHFFFAOYSA-N,"InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H",O=C1c2ccc(O)cc2OC(c2ccc(O)c(O)c2)C1O,C15H12O6,,288.063388104,FNUPUYFWZXZMIE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Solanum pseudocapsicum,121218.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum pseudocapsicum'],4,2,7.224661111831665 26016,846,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.5561653,ISDB,FNUPUYFWZXZMIE-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2ccc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O6,,288.063388104,FNUPUYFWZXZMIE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Acacia pycnantha,39866.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia pycnantha'],4,2,7.224661111831665 26017,846,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.5561653,ISDB,FNUPUYFWZXZMIE-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2ccc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O6,,288.063388104,FNUPUYFWZXZMIE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Acacia mearnsii,343265.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia mearnsii'],4,2,7.224661111831665 26018,846,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.5561653,ISDB,FNUPUYFWZXZMIE-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2ccc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O6,,288.063388104,FNUPUYFWZXZMIE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Acacia neriifolia,618995.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia neriifolia'],4,2,7.224661111831665 26019,846,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.5561653,ISDB,FNUPUYFWZXZMIE-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2ccc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O6,,288.063388104,FNUPUYFWZXZMIE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Acacia dealbata,274405.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia dealbata'],4,2,7.224661111831665 26020,846,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.5561653,ISDB,FNUPUYFWZXZMIE-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2ccc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O6,,288.063388104,FNUPUYFWZXZMIE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Baptisia lecontei,3928764.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Baptisia'],['Baptisia lecontei'],4,2,7.224661111831665 26021,846,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.5561653,ISDB,FNUPUYFWZXZMIE-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2ccc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O6,,288.063388104,FNUPUYFWZXZMIE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Acacia clunies-rossiae,3918081.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia clunies-rossiae'],4,2,7.224661111831665 26022,846,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.5561653,ISDB,FNUPUYFWZXZMIE-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2ccc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O6,,288.063388104,FNUPUYFWZXZMIE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Acacia oshanesii,485960.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia oshanesii'],4,2,7.224661111831665 26023,846,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.5561653,ISDB,FNUPUYFWZXZMIE-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2ccc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O6,,288.063388104,FNUPUYFWZXZMIE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Acacia mollifolia,882772.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia mollifolia'],4,2,7.224661111831665 26024,846,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.5561653,ISDB,FNUPUYFWZXZMIE-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2ccc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O6,,288.063388104,FNUPUYFWZXZMIE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Acacia terminalis,485967.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia terminalis'],4,2,7.224661111831665 26025,846,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.5561653,ISDB,FNUPUYFWZXZMIE-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2ccc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O6,,288.063388104,FNUPUYFWZXZMIE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Acacia leucoclada,1081334.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia leucoclada'],4,2,7.224661111831665 26026,846,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.5561653,ISDB,FNUPUYFWZXZMIE-UHFFFAOYSA-N,"InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H",O=C1c2ccc(O)cc2OC(c2ccc(O)c(O)c2)C1O,C15H12O6,,288.063388104,FNUPUYFWZXZMIE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Acacia peuce,3918125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia peuce'],4,2,7.224661111831665 26027,846,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.5561653,ISDB,FNUPUYFWZXZMIE-UHFFFAOYSA-N,"InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H",O=C1c2ccc(O)cc2OC(c2ccc(O)c(O)c2)C1O,C15H12O6,,288.063388104,FNUPUYFWZXZMIE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Acacia crombiei,3918220.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia crombiei'],4,2,7.224661111831665 26028,846,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.5561653,ISDB,FNUPUYFWZXZMIE-UHFFFAOYSA-N,"InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H",O=C1c2ccc(O)cc2OC(c2ccc(O)c(O)c2)C1O,C15H12O6,,288.063388104,FNUPUYFWZXZMIE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Acacia saxatilis,3918435.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia saxatilis'],4,2,7.224661111831665 26029,846,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.5561653,ISDB,FNUPUYFWZXZMIE-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2ccc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O6,,288.063388104,FNUPUYFWZXZMIE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Acacia filicifolia,1062329.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia filicifolia'],4,2,7.224661111831665 26030,846,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.5561653,ISDB,FNUPUYFWZXZMIE-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2ccc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O6,,288.063388104,FNUPUYFWZXZMIE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Acacia buxifolia,3918242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia buxifolia'],4,2,7.224661111831665 26031,846,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.5561653,ISDB,FNUPUYFWZXZMIE-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2ccc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O6,,288.063388104,FNUPUYFWZXZMIE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Acacia binervata,997695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia binervata'],4,2,7.224661111831665 26032,846,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.5561653,ISDB,FNUPUYFWZXZMIE-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2ccc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O6,,288.063388104,FNUPUYFWZXZMIE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Acacia fimbriata,452614.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia fimbriata'],4,2,7.224661111831665 26033,846,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.5561653,ISDB,FNUPUYFWZXZMIE-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2ccc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O6,,288.063388104,FNUPUYFWZXZMIE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Acacia constablei,1062325.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia constablei'],4,2,7.224661111831665 26034,846,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.5561653,ISDB,FNUPUYFWZXZMIE-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2ccc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O6,,288.063388104,FNUPUYFWZXZMIE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Acacia calamifolia,867933.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia calamifolia'],4,2,7.224661111831665 26035,846,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.5561653,ISDB,FNUPUYFWZXZMIE-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2ccc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O6,,288.063388104,FNUPUYFWZXZMIE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Acacia mabellae,1062323.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia mabellae'],4,2,7.224661111831665 26036,846,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.5561653,ISDB,FNUPUYFWZXZMIE-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2ccc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O6,,288.063388104,FNUPUYFWZXZMIE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Acacia falciformis,867937.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia falciformis'],4,2,7.224661111831665 26037,846,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.5561653,ISDB,FNUPUYFWZXZMIE-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2ccc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O6,,288.063388104,FNUPUYFWZXZMIE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Acacia kettlewelliae,3917832.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia kettlewelliae'],4,2,7.224661111831665 26038,846,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.5561653,ISDB,FNUPUYFWZXZMIE-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2ccc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O6,,288.063388104,FNUPUYFWZXZMIE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Acacia cultriformis,1081327.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia cultriformis'],4,2,7.224661111831665 26039,846,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.5561653,ISDB,FNUPUYFWZXZMIE-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2ccc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O6,,288.063388104,FNUPUYFWZXZMIE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Acacia irrorata,1062318.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia irrorata'],4,2,7.224661111831665 26040,846,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.5561653,ISDB,FNUPUYFWZXZMIE-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2ccc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O6,,288.063388104,FNUPUYFWZXZMIE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Acacia rubida,3918444.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia rubida'],4,2,7.224661111831665 26041,846,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.5561653,ISDB,FNUPUYFWZXZMIE-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2ccc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O6,,288.063388104,FNUPUYFWZXZMIE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Acacia silvestris,97456.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia silvestris'],4,2,7.224661111831665 26042,846,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.5561653,ISDB,FNUPUYFWZXZMIE-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2ccc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O6,,288.063388104,FNUPUYFWZXZMIE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Acacia cardiophylla,639796.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia cardiophylla'],4,2,7.224661111831665 26043,846,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.5561653,ISDB,FNUPUYFWZXZMIE-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2ccc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O6,,288.063388104,FNUPUYFWZXZMIE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Acacia decora,3918328.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia decora'],4,2,7.224661111831665 26044,846,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.5561653,ISDB,FNUPUYFWZXZMIE-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2ccc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O6,,288.063388104,FNUPUYFWZXZMIE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Acacia deanei,103860.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia deanei'],4,2,7.224661111831665 26045,846,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.5561653,ISDB,FNUPUYFWZXZMIE-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2ccc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O6,,288.063388104,FNUPUYFWZXZMIE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Acacia lanigera,3917633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia lanigera'],4,2,7.224661111831665 26046,846,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.5561653,ISDB,FNUPUYFWZXZMIE-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2ccc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O6,,288.063388104,FNUPUYFWZXZMIE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Acacia parramattensis,60602.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia parramattensis'],4,2,7.224661111831665 26047,846,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.5561653,ISDB,FNUPUYFWZXZMIE-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2ccc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O6,,288.063388104,FNUPUYFWZXZMIE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Acacia trachyphloia,730413.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia trachyphloia'],4,2,7.224661111831665 26048,846,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.5561653,ISDB,FNUPUYFWZXZMIE-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2ccc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O6,,288.063388104,FNUPUYFWZXZMIE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Acacia vestita,660545.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia vestita'],4,2,7.224661111831665 26049,846,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.5561653,ISDB,FNUPUYFWZXZMIE-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2ccc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O6,,288.063388104,FNUPUYFWZXZMIE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Acacia elata,633797.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia elata'],4,2,7.224661111831665 26050,846,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.5561653,ISDB,FNUPUYFWZXZMIE-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2ccc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O6,,288.063388104,FNUPUYFWZXZMIE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Acacia chrysotricha,3918470.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia chrysotricha'],4,2,7.224661111831665 26051,846,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.5561653,ISDB,FNUPUYFWZXZMIE-UHFFFAOYSA-N,"InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H",O=C1c2ccc(O)cc2OC(c2ccc(O)c(O)c2)C1O,C15H12O6,,288.063388104,FNUPUYFWZXZMIE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Acacia carneorum,3918002.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia carneorum'],4,2,7.224661111831665 26052,846,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.5561653,ISDB,FNUPUYFWZXZMIE-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2ccc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O6,,288.063388104,FNUPUYFWZXZMIE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Acacia adunca,33827.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia adunca'],4,2,7.224661111831665 26053,846,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.5561653,ISDB,FNUPUYFWZXZMIE-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2ccc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O6,,288.063388104,FNUPUYFWZXZMIE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],4,2,7.224661111831665 26054,846,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.5561653,ISDB,FNUPUYFWZXZMIE-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2ccc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O6,,288.063388104,FNUPUYFWZXZMIE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Acacia baileyana,639792.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia baileyana'],4,2,7.224661111831665 26055,846,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.5561653,ISDB,FNUPUYFWZXZMIE-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2ccc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O6,,288.063388104,FNUPUYFWZXZMIE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Lawsonia inermis,996694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Lythraceae'],['Unknown'],['Lawsonia'],['Lawsonia inermis'],4,2,7.224661111831665 26056,846,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.5561653,ISDB,FNUPUYFWZXZMIE-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2ccc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O6,,288.063388104,FNUPUYFWZXZMIE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Gleditsia japonica,787616.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Gleditsia'],['Gleditsia japonica'],4,2,7.224661111831665 26057,846,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.5561653,ISDB,FNUPUYFWZXZMIE-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2ccc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O6,,288.063388104,FNUPUYFWZXZMIE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Brucea javanica,841359.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Simaroubaceae'],['Unknown'],['Brucea'],['Brucea javanica'],4,2,7.224661111831665 26058,846,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.5561653,ISDB,FNUPUYFWZXZMIE-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2ccc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O6,,288.063388104,FNUPUYFWZXZMIE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prosopidastrum globosum,3918763.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Mimoseae'],['Prosopidastrum'],['Prosopidastrum globosum'],4,2,7.224661111831665 26059,846,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.5561653,ISDB,FNUPUYFWZXZMIE-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2ccc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O6,,288.063388104,FNUPUYFWZXZMIE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Rhus typhina,1010430.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Anacardiaceae'],['Unknown'],['Rhus'],['Rhus typhina'],4,2,7.224661111831665 26060,846,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.5561653,ISDB,FNUPUYFWZXZMIE-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2ccc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O6,,288.063388104,FNUPUYFWZXZMIE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Cotinus coggygria,876714.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Anacardiaceae'],['Unknown'],['Cotinus'],['Cotinus coggygria'],4,2,7.224661111831665 26061,846,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.5561653,ISDB,FNUPUYFWZXZMIE-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2ccc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O6,,288.063388104,FNUPUYFWZXZMIE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Robinia pseudoacacia,928416.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Robinieae'],['Robinia'],['Robinia pseudoacacia'],4,2,7.224661111831665 26010,844,219,Fatty acids,Fatty acyls,Fatty aldehydes,0.28173319,ISDB,WQLFXXMSVDKBCS-UQKDKWODSA-N,"InChI=1S/C41H62O5/c1-27-11-21-34-38(3,23-9-25-40(34,5)36(43)45-7)31(27)18-15-29-13-16-30(17-14-29)33(42)20-19-32-28(2)12-22-35-39(32,4)24-10-26-41(35,6)37(44)46-8/h13,30-32,34-35H,1-2,9-12,14-26H2,3-8H3/t30-,31+,32+,34-,35-,38-,39-,40-,41-/m0/s1",C=C1CC[C@H]2[C@@](C)(CCC[C@]2(C)C(=O)OC)[C@@H]1CCC(=O)[C@H]1CC=C(CC[C@@H]2C(=C)CC[C@H]3[C@@]2(C)CCC[C@]3(C)C(=O)OC)CC1,C41H62O5,,634.459725084,WQLFXXMSVDKBCS,Terpenoids,Diterpenoids,Labdane diterpenoids,Xylopia aromatica,3867945.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Xylopieae'],['Xylopia'],['Xylopia aromatica'],4,0,5.126932740211487 26005,842,595,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.5673077,ISDB,BHZKXYVGAILXRA-DUXRVPMWSA-N,"InChI=1S/C41H44O23/c1-14-35(62-26(49)7-3-15-2-5-18(43)20(45)8-15)32(54)34(56)39(58-14)64-38-28(50)23(48)13-57-41(38)63-37-30(52)27-22(47)10-17(59-40-33(55)31(53)29(51)25(12-42)61-40)11-24(27)60-36(37)16-4-6-19(44)21(46)9-16/h2-11,14,23,25,28-29,31-35,38-48,50-51,53-56H,12-13H2,1H3/b7-3+/t14-,23-,25+,28-,29+,31-,32-,33+,34+,35-,38+,39-,40+,41-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc(O)c4c3=O)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1OC(=O)/C=C/c1ccc(O)c(O)c1,C41H44O23,,904.227337668,BHZKXYVGAILXRA,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Plocama calabrica,877661.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Putorieae'],['Plocama'],['Plocama calabrica'],4,3,7.769230842590332 25951,841,-1,,,,0.0,MS1_match,IKGXIBQEEMLURG-NVPNHPEKSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O16,pos_1_sodium,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Clematis terniflora,21289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis terniflora'],9,0,9.0 25952,841,-1,,,,0.0,MS1_match,IKGXIBQEEMLURG-NVPNHPEKSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O16,pos_1_sodium,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Clematis terniflora,21289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis terniflora'],9,0,9.0 25949,840,1234,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,NKFZLEYLWAFYEH-NSSLBSGISA-N,"InChI=1S/C26H28O16/c27-6-15-18(34)20(36)24(42-25-21(37)17(33)13(32)7-38-25)26(40-15)41-23-19(35)16-12(31)4-9(28)5-14(16)39-22(23)8-1-2-10(29)11(30)3-8/h1-5,13,15,17-18,20-21,24-34,36-37H,6-7H2/t13-,15+,17-,18-,20-,21+,24+,25-,26-/m0/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C26H28O16,pos_1_sodium,596.1377348159999,NKFZLEYLWAFYEH,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Helleborus viridis,948053.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Helleboreae'],['Helleborus'],['Helleborus viridis'],6,3,7.5 25950,840,1234,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,NKFZLEYLWAFYEH-NSSLBSGISA-N,"InChI=1S/C26H28O16/c27-6-15-18(34)20(36)24(42-25-21(37)17(33)13(32)7-38-25)26(40-15)41-23-19(35)16-12(31)4-9(28)5-14(16)39-22(23)8-1-2-10(29)11(30)3-8/h1-5,13,15,17-18,20-21,24-34,36-37H,6-7H2/t13-,15+,17-,18-,20-,21+,24+,25-,26-/m0/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C26H28O16,pos_1_sodium,596.1377348159999,NKFZLEYLWAFYEH,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Helleborus viridis,948053.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Helleboreae'],['Helleborus'],['Helleborus viridis'],6,3,7.5 25947,839,1,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BVEVSYQMQABMQM-UHFFFAOYSA-N,"InChI=1S/C21H36O11/c1-19(2)9-4-12(20(19,3)5-10(9)23)32-17-15(26)14(25)13(24)11(31-17)6-29-18-16(27)21(28,7-22)8-30-18/h9-18,22-28H,4-8H2,1-3H3",CC1(C)C2CC(OC3OC(COC4OCC(O)(CO)C4O)C(O)C(O)C3O)C1(C)CC2O,C21H36O11,pos_1_1potassium,464.225761972,BVEVSYQMQABMQM,Terpenoids,Monoterpenoids,Camphane monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,2,7.0 25649,838,173,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.5024454,ISDB,BVKKHPBKRVEHGR-UHFFFAOYSA-N,"InChI=1S/C10H10O3/c11-5-6-4-9(12)10(13)8-3-1-2-7(6)8/h4-5,12-13H,1-3H2",O=Cc1cc(O)c(O)c2c1CCC2,C10H10O3,,178.06299418,BVKKHPBKRVEHGR,Terpenoids,,,Amomum tsao-ko,698763.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Lanxangia'],['Lanxangia tsaoko'],4,1,6.5097815990448 25650,838,173,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.5024454,ISDB,BVKKHPBKRVEHGR-UHFFFAOYSA-N,"InChI=1S/C10H10O3/c11-5-6-4-9(12)10(13)8-3-1-2-7(6)8/h4-5,12-13H,1-3H2",O=Cc1cc(O)c(O)c2c1CCC2,C10H10O3,,178.06299418,BVKKHPBKRVEHGR,Terpenoids,,,Lanxangia tsao-ko,698763.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Lanxangia'],['Lanxangia tsaoko'],4,1,6.5097815990448 25623,837,-1,,,,0.36739108,ISDB,LBFWHQSJIPPDSZ-UHFFFAOYSA-N,"InChI=1S/C37H66O5/c1-3-4-5-6-7-8-14-17-20-23-26-33(38)35-28-29-36(42-35)34(39)27-24-21-18-15-12-10-9-11-13-16-19-22-25-32-30-31(2)41-37(32)40/h17,20,30-31,33-36,38-39H,3-16,18-19,21-29H2,1-2H3",CCCCCCCCC=CCCC(O)C1CCC(C(O)CCCCCCCCCCCCCCC2=CC(C)OC2=O)O1,C37H66O5,,590.491025212,LBFWHQSJIPPDSZ,Polyketides,Linear polyketides,Acetogenins,Annona squamosa,915056.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Annoneae'],['Annona'],['Annona squamosa'],4,0,5.469564318656921 25621,830,217,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.7726514,ISDB,DPTUTXWBBUARQB-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-2-6-4-5-8(11)12-9(6)7/h1-5,10H",O=c1ccc2cccc(O)c2o1,C9H6O3,,162.031694052,DPTUTXWBBUARQB,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Murraya paniculata,81668.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Murraya'],['Murraya paniculata'],4,3,8.59060549736023 25622,830,217,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.7726514,ISDB,DPTUTXWBBUARQB-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-2-6-4-5-8(11)12-9(6)7/h1-5,10H",O=c1ccc2cccc(O)c2o1,C9H6O3,,162.031694052,DPTUTXWBBUARQB,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Murraya exotica,755734.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Murraya'],['Murraya exotica'],4,3,8.59060549736023 25588,829,15,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,0.8273564,ISDB,NJDITOSUCXZLIG-AUWJEWJLSA-N,"InChI=1S/C17H24O3/c1-13(2)5-4-6-14(12-18)7-8-15-11-16(19)9-10-17(15)20-3/h5,7,9-11,18-19H,4,6,8,12H2,1-3H3/b14-7-",COc1ccc(O)cc1C/C=C(\CO)CCC=C(C)C,C17H24O3,,276.172544628,NJDITOSUCXZLIG,Terpenoids,Meroterpenoids,Merosesquiterpenoids,Heliotropium glutinosum,172317.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Heliotropiaceae'],['Unknown'],['Heliotropium'],['Heliotropium glutinosum'],4,1,7.809425592422485 25571,828,-1,,,,0.26580182,ISDB,,,,,,,HGXSLICBELZODC,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.0632072687149048 25462,819,7,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.32771954,ISDB,BMQNSHDVIYZULR-FZJJXLMSSA-N,"InChI=1S/C40H54O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-26,36,41H,27-29H2,1-10H3/b12-11+,18-13-,19-14-,25-23+,26-24+,30-16+,31-17+,32-20-,33-21-",CC1=C(/C=C/C(C)=C\C=C/C(C)=C/C=C/C=C(C)/C=C\C=C(C)/C=C/C2=C(C)CC(O)CC2(C)C)C(C)(C)CC=C1,C40H54O,,550.417466348,BMQNSHDVIYZULR,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Celastrus orbiculatus,56757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Celastrus'],['Celastrus orbiculatus'],4,3,6.810878157615662 25458,817,72,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.39556432,ISDB,,,,,,,BKPBDNJGYXIRBK,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.5822572708129883 25292,816,-1,,,,0.7375663,ISDB,KQBASRSRJMDOBH-GOSISDBHSA-N,"InChI=1S/C21H34O3/c1-3-4-5-6-7-8-9-10-11-12-18-13-17-14-19(23-2)15-21(22)20(17)16-24-18/h14-15,18,22H,3-13,16H2,1-2H3/t18-/m1/s1",CCCCCCCCCCC[C@@H]1Cc2cc(OC)cc(O)c2CO1,C21H34O3,,334.250794948,KQBASRSRJMDOBH,Polyketides,Chromanes,Azaphilones,Ononis natrix,1072855.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Ononis'],['Ononis natrix'],4,0,6.950265169143677 25288,815,73,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.2077749,ISDB,OBTMNFZFNXQANA-PSRVQCNGSA-N,"InChI=1S/C45H70O10/c1-12-25(3)37(50)54-35-36(55-38(51)26(4)13-2)45(24-52-39-34(49)33(48)29(23-46)53-39)21-20-43(10)27(28(45)22-40(35,5)6)14-15-31-42(9)18-17-32(47)41(7,8)30(42)16-19-44(31,43)11/h12-14,28-36,39,46-49H,15-24H2,1-11H3/b25-12+,26-13+/t28-,29+,30-,31+,32-,33-,34-,35-,36-,39-,42-,43+,44+,45-/m0/s1",C/C=C(\C)C(=O)O[C@H]1[C@H](OC(=O)/C(C)=C/C)[C@]2(CO[C@H]3O[C@H](CO)[C@H](O)[C@@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2CC1(C)C,C45H70O10,,770.49689844,OBTMNFZFNXQANA,Terpenoids,Triterpenoids,Oleanane triterpenoids,Planchonia careya,3901629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Lecythidaceae'],['Unknown'],['Planchonia'],['Planchonia careya'],4,3,6.331099629402161 25185,814,-1,,,,0.0,MS1_match,ODBRNZZJSYPIDI-VJXVFPJBSA-N,"InChI=1S/C21H20O11/c22-6-14-17(27)19(29)20(30)21(32-14)16-11(26)5-13-15(18(16)28)10(25)4-12(31-13)7-1-2-8(23)9(24)3-7/h1-5,14,17,19-24,26-30H,6H2/t14-,17-,19+,20-,21+/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12,C21H20O11,pos_1_sodium,448.10056145999977,ODBRNZZJSYPIDI,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Clematis rehderiana,289952.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis rehderiana'],8,0,8.0 25186,814,-1,,,,0.0,MS1_match,ODBRNZZJSYPIDI-VJXVFPJBSA-N,"InChI=1S/C21H20O11/c22-6-14-17(27)19(29)20(30)21(32-14)16-11(26)5-13-15(18(16)28)10(25)4-12(31-13)7-1-2-8(23)9(24)3-7/h1-5,14,17,19-24,26-30H,6H2/t14-,17-,19+,20-,21+/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12,C21H20O11,pos_1_sodium,448.10056145999977,ODBRNZZJSYPIDI,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Clematis rehderiana,289952.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis rehderiana'],8,0,8.0 25187,814,-1,,,,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_sodium,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Clematis terniflora,21289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis terniflora'],8,0,8.0 25188,814,-1,,,,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_sodium,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Clematis terniflora,21289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis terniflora'],8,0,8.0 25189,814,-1,,,,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_sodium,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Clematis terniflora,21289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis terniflora'],8,0,8.0 25153,813,-1,,,,0.0,MS1_match,OCNYGKNIVPVPPX-UHFFFAOYSA-N,"InChI=1S/C10H10O4/c1-14-10(13)5-3-7-2-4-8(11)9(12)6-7/h2-6,11-12H,1H3",COC(=O)C=Cc1ccc(O)c(O)c1,C10H10O4,pos_1_1sodium1acetonitrile,194.0579088,OCNYGKNIVPVPPX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis delavayi,72769.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis delavayi'],8,0,8.0 25154,813,-1,,,,0.0,MS1_match,QURCVMIEKCOAJU-UHFFFAOYSA-N,"InChI=1S/C10H10O4/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)",COc1ccc(C=CC(=O)O)cc1O,C10H10O4,pos_1_1sodium1acetonitrile,194.0579088,QURCVMIEKCOAJU,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis delavayi,72769.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis delavayi'],8,0,8.0 25155,813,-1,,,,0.0,MS1_match,KSEBMYQBYZTDHS-UHFFFAOYSA-N,"InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)",COc1cc(C=CC(=O)O)ccc1O,C10H10O4,pos_1_1sodium1acetonitrile,194.0579088,KSEBMYQBYZTDHS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis delavayi,72769.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis delavayi'],8,0,8.0 25156,813,-1,,,,0.0,MS1_match,KSEBMYQBYZTDHS-HWKANZROSA-N,"InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+",COc1cc(/C=C/C(=O)O)ccc1O,C10H10O4,pos_1_1sodium1acetonitrile,194.0579088,KSEBMYQBYZTDHS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis terniflora var. mandshurica,446556.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis terniflora'],8,0,8.0 25150,811,80,Terpenoids,Tryptophan alkaloids,Carbazole alkaloids,0.60461825,ISDB,FKPBTDMCIDWKNL-VAHIBMBZSA-N,"InChI=1S/C37H40N4O5/c1-9-21-17(4)24-14-26-19(6)23(12-13-30(42)46-11-3)34(40-26)32-33(37(44)45-8)36(43)31-20(7)27(41-35(31)32)16-29-22(10-2)18(5)25(39-29)15-28(21)38-24/h9,14-16,19,23,33,40,43H,1,10-13H2,2-8H3/t19-,23-,33+/m0/s1",C=CC1=C(C)C2=NC1=CC1=NC(=CC3=C(C)C4=C(O)[C@H](C(=O)OC)C(=C5NC(=C2)[C@@H](C)[C@@H]5CCC(=O)OCC)C4=N3)C(CC)=C1C,C37H40N4O5,,620.29987038,FKPBTDMCIDWKNL,Alkaloids,,,Neptunia prostrata,8611.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Mimoseae'],['Neptunia'],['Neptunia oleracea'],4,0,6.4184730052948 25151,811,80,Terpenoids,Tryptophan alkaloids,Carbazole alkaloids,0.60461825,ISDB,FKPBTDMCIDWKNL-VAHIBMBZSA-N,"InChI=1S/C37H40N4O5/c1-9-21-17(4)24-14-26-19(6)23(12-13-30(42)46-11-3)34(40-26)32-33(37(44)45-8)36(43)31-20(7)27(41-35(31)32)16-29-22(10-2)18(5)25(39-29)15-28(21)38-24/h9,14-16,19,23,33,40,43H,1,10-13H2,2-8H3/t19-,23-,33+/m0/s1",C=CC1=C(C)C2=NC1=CC1=NC(=CC3=C(C)C4=C(O)[C@H](C(=O)OC)C(=C5NC(=C2)[C@@H](C)[C@@H]5CCC(=O)OCC)C4=N3)C(CC)=C1C,C37H40N4O5,,620.29987038,FKPBTDMCIDWKNL,Alkaloids,,,Neptunia oleracea,8611.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Mimoseae'],['Neptunia'],['Neptunia oleracea'],4,0,6.4184730052948 25141,810,-1,,,,0.0,MS1_match,ZCTJIMXXSXQXRI-KYJUHHDHSA-N,"InChI=1S/C41H48N2O8/c1-42-12-10-23-16-32(44-3)34(46-5)20-27(23)29(42)15-26-19-33(45-4)36(48-7)22-31(26)51-37-18-25-14-30-39-24(11-13-43(30)2)17-38(49-8)41(50-9)40(39)28(25)21-35(37)47-6/h16-22,29-30H,10-15H2,1-9H3/t29-,30-/m0/s1",COc1cc(C[C@H]2c3cc(OC)c(OC)cc3CCN2C)c(Oc2cc3c(cc2OC)-c2c(OC)c(OC)cc4c2[C@H](C3)N(C)CC4)cc1OC,C41H48N2O8,pos_2_1proton1sodium,696.341066496,ZCTJIMXXSXQXRI,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Thalictrum dasycarpum,421841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum dasycarpum'],6,0,6.0 25142,810,-1,,,,0.0,MS1_match,ZCTJIMXXSXQXRI-UHFFFAOYSA-N,"InChI=1S/C41H48N2O8/c1-42-12-10-23-16-32(44-3)34(46-5)20-27(23)29(42)15-26-19-33(45-4)36(48-7)22-31(26)51-37-18-25-14-30-39-24(11-13-43(30)2)17-38(49-8)41(50-9)40(39)28(25)21-35(37)47-6/h16-22,29-30H,10-15H2,1-9H3",COc1cc(CC2c3cc(OC)c(OC)cc3CCN2C)c(Oc2cc3c(cc2OC)-c2c(OC)c(OC)cc4c2C(C3)N(C)CC4)cc1OC,C41H48N2O8,pos_2_1proton1sodium,696.341066496,ZCTJIMXXSXQXRI,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Thalictrum dioicum,421847.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum dioicum'],6,0,6.0 25143,810,-1,,,,0.0,MS1_match,ZCTJIMXXSXQXRI-KYJUHHDHSA-N,"InChI=1S/C41H48N2O8/c1-42-12-10-23-16-32(44-3)34(46-5)20-27(23)29(42)15-26-19-33(45-4)36(48-7)22-31(26)51-37-18-25-14-30-39-24(11-13-43(30)2)17-38(49-8)41(50-9)40(39)28(25)21-35(37)47-6/h16-22,29-30H,10-15H2,1-9H3/t29-,30-/m0/s1",COc1cc(C[C@H]2c3cc(OC)c(OC)cc3CCN2C)c(Oc2cc3c(cc2OC)-c2c(OC)c(OC)cc4c2[C@H](C3)N(C)CC4)cc1OC,C41H48N2O8,pos_2_1proton1sodium,696.341066496,ZCTJIMXXSXQXRI,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Thalictrum alpinum,468431.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum alpinum'],6,0,6.0 25144,810,-1,,,,0.0,MS1_match,ZCTJIMXXSXQXRI-KYJUHHDHSA-N,"InChI=1S/C41H48N2O8/c1-42-12-10-23-16-32(44-3)34(46-5)20-27(23)29(42)15-26-19-33(45-4)36(48-7)22-31(26)51-37-18-25-14-30-39-24(11-13-43(30)2)17-38(49-8)41(50-9)40(39)28(25)21-35(37)47-6/h16-22,29-30H,10-15H2,1-9H3/t29-,30-/m0/s1",COc1cc(C[C@H]2c3cc(OC)c(OC)cc3CCN2C)c(Oc2cc3c(cc2OC)-c2c(OC)c(OC)cc4c2[C@H](C3)N(C)CC4)cc1OC,C41H48N2O8,pos_2_1proton1sodium,696.341066496,ZCTJIMXXSXQXRI,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Thalictrum revolutum,421843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum revolutum'],6,0,6.0 25145,810,-1,,,,0.0,MS1_match,ZCTJIMXXSXQXRI-KYJUHHDHSA-N,"InChI=1S/C41H48N2O8/c1-42-12-10-23-16-32(44-3)34(46-5)20-27(23)29(42)15-26-19-33(45-4)36(48-7)22-31(26)51-37-18-25-14-30-39-24(11-13-43(30)2)17-38(49-8)41(50-9)40(39)28(25)21-35(37)47-6/h16-22,29-30H,10-15H2,1-9H3/t29-,30-/m0/s1",COc1cc(C[C@H]2c3cc(OC)c(OC)cc3CCN2C)c(Oc2cc3c(cc2OC)-c2c(OC)c(OC)cc4c2[C@H](C3)N(C)CC4)cc1OC,C41H48N2O8,pos_2_1proton1sodium,696.341066496,ZCTJIMXXSXQXRI,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Thalictrum foliolosum,124406.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum foliolosum'],6,0,6.0 25146,810,-1,,,,0.0,MS1_match,ZCTJIMXXSXQXRI-KYJUHHDHSA-N,"InChI=1S/C41H48N2O8/c1-42-12-10-23-16-32(44-3)34(46-5)20-27(23)29(42)15-26-19-33(45-4)36(48-7)22-31(26)51-37-18-25-14-30-39-24(11-13-43(30)2)17-38(49-8)41(50-9)40(39)28(25)21-35(37)47-6/h16-22,29-30H,10-15H2,1-9H3/t29-,30-/m0/s1",COc1cc(C[C@H]2c3cc(OC)c(OC)cc3CCN2C)c(Oc2cc3c(cc2OC)-c2c(OC)c(OC)cc4c2[C@H](C3)N(C)CC4)cc1OC,C41H48N2O8,pos_2_1proton1sodium,696.341066496,ZCTJIMXXSXQXRI,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Thalictrum minus,491705.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum minus'],6,0,6.0 25147,810,-1,,,,0.0,MS1_match,RRKYSGHTIGWTJQ-CONSDPRKSA-N,"InChI=1S/C41H48N2O8/c1-42-16-14-24-19-32(44-3)33(45-4)21-27(24)30(42)18-23-10-12-25(13-11-23)51-38-29-20-31-35-26(15-17-43(31)2)37(47-6)41(50-9)40(49-8)36(35)28(29)22-34(46-5)39(38)48-7/h10-13,19,21-22,30-31H,14-18,20H2,1-9H3/t30-,31-/m0/s1",COc1cc2c(cc1OC)[C@H](Cc1ccc(Oc3c4c(cc(OC)c3OC)-c3c(OC)c(OC)c(OC)c5c3[C@H](C4)N(C)CC5)cc1)N(C)CC2,C41H48N2O8,pos_2_1proton1sodium,696.3410664959999,RRKYSGHTIGWTJQ,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Thalictrum faberi,6133309.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum faberi'],6,0,6.0 25148,810,-1,,,,0.0,MS1_match,UNAWQKTWGFQKSW-KYJUHHDHSA-N,"InChI=1S/C41H48N2O8/c1-42-14-12-23-18-32(45-4)33(46-5)21-27(23)29(42)16-25-10-11-31(44-3)41(50-9)39(25)51-35-20-26-17-30-37-24(13-15-43(30)2)19-36(48-7)40(49-8)38(37)28(26)22-34(35)47-6/h10-11,18-22,29-30H,12-17H2,1-9H3/t29-,30-/m0/s1",COc1cc2c(cc1OC)[C@H](Cc1ccc(OC)c(OC)c1Oc1cc3c(cc1OC)-c1c(OC)c(OC)cc4c1[C@H](C3)N(C)CC4)N(C)CC2,C41H48N2O8,pos_2_1proton1sodium,696.341066496,UNAWQKTWGFQKSW,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Thalictrum revolutum,421843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum revolutum'],6,0,6.0 25149,810,-1,,,,0.0,MS1_match,CGBZTBVMBAQHHC-WDYNHAJCSA-N,"InChI=1S/C41H48N2O8/c1-42-14-12-23-18-32(45-4)34(47-6)21-27(23)28(42)17-26-20-33(46-5)35(48-7)22-31(26)51-41-30(44-3)11-10-24-16-29-37-25(13-15-43(29)2)19-36(49-8)40(50-9)39(37)38(24)41/h10-11,18-22,28-29H,12-17H2,1-9H3/t28-,29+/m1/s1",COc1cc(C[C@@H]2c3cc(OC)c(OC)cc3CCN2C)c(Oc2c(OC)ccc3c2-c2c(OC)c(OC)cc4c2[C@H](C3)N(C)CC4)cc1OC,C41H48N2O8,pos_2_1proton1sodium,696.341066496,CGBZTBVMBAQHHC,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Thalictrum dasycarpum,421841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum dasycarpum'],6,0,6.0 25138,809,434,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,0.25785267,ISDB,SGNVKVVRCUBSSV-SNVBAGLBSA-N,"InChI=1S/C11H9NO2/c13-11-9-5-7-3-1-2-4-8(7)6-10(9)12-14-11/h1-5,10,12H,6H2/t10-/m1/s1",O=C1ON[C@@H]2Cc3ccccc3C=C12,C11H9NO2,,187.063328528,SGNVKVVRCUBSSV,Shikimates and Phenylpropanoids,,,Glehnia littoralis,622365.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Selineae'],['Glehnia'],['Glehnia littoralis'],4,1,5.5314106941223145 25107,805,199,Terpenoids,Diterpenoids,Guaiane sesquiterpenoids,0.40858144,ISDB,SPYAOTULQPJFGN-XUKBFMRMSA-N,"InChI=1S/C21H36O9/c1-9-5-11(28-18-17(26)16(25)15(24)12(8-22)29-18)14-10(9)6-21(27)13(23)7-20(14,4)30-19(21,2)3/h9-18,22-27H,5-8H2,1-4H3/t9-,10-,11-,12-,13+,14-,15-,16+,17-,18-,20-,21+/m1/s1",C[C@@H]1C[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1C[C@]1(O)[C@@H](O)C[C@@]2(C)OC1(C)C,C21H36O9,,432.235932732,SPYAOTULQPJFGN,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Daucus carota,372836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Scandiceae'],['Daucus'],['Daucus carota'],4,3,7.134325742721558 25103,804,-1,,,,0.0,MS1_match,YWJXCIXBAKGUKZ-HJJNZUOJSA-N,"InChI=1S/C14H16O9/c1-21-11-5(16)2-4-7(9(11)18)12-13(23-14(4)20)10(19)8(17)6(3-15)22-12/h2,6,8,10,12-13,15-19H,3H2,1H3/t6-,8-,10+,12+,13-/m1/s1",COc1c(O)cc2c(c1O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC2=O,C14H16O9,pos_1_sodium,328.07943209199993,YWJXCIXBAKGUKZ,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Actaea cimicifuga,988720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea cimicifuga'],6,0,6.0 25104,804,-1,,,,0.0,MS1_match,YWJXCIXBAKGUKZ-HJJNZUOJSA-N,"InChI=1S/C14H16O9/c1-21-11-5(16)2-4-7(9(11)18)12-13(23-14(4)20)10(19)8(17)6(3-15)22-12/h2,6,8,10,12-13,15-19H,3H2,1H3/t6-,8-,10+,12+,13-/m1/s1",COc1c(O)cc2c(c1O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC2=O,C14H16O9,pos_1_sodium,328.07943209199993,YWJXCIXBAKGUKZ,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Actaea elata,988729.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea elata'],6,0,6.0 25105,804,-1,,,,0.0,MS1_match,YWJXCIXBAKGUKZ-HJJNZUOJSA-N,"InChI=1S/C14H16O9/c1-21-11-5(16)2-4-7(9(11)18)12-13(23-14(4)20)10(19)8(17)6(3-15)22-12/h2,6,8,10,12-13,15-19H,3H2,1H3/t6-,8-,10+,12+,13-/m1/s1",COc1c(O)cc2c(c1O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC2=O,C14H16O9,pos_1_sodium,328.07943209199993,YWJXCIXBAKGUKZ,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Actaea cimicifuga,988720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea cimicifuga'],6,0,6.0 25106,804,-1,,,,0.0,MS1_match,YWJXCIXBAKGUKZ-HJJNZUOJSA-N,"InChI=1S/C14H16O9/c1-21-11-5(16)2-4-7(9(11)18)12-13(23-14(4)20)10(19)8(17)6(3-15)22-12/h2,6,8,10,12-13,15-19H,3H2,1H3/t6-,8-,10+,12+,13-/m1/s1",COc1c(O)cc2c(c1O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC2=O,C14H16O9,pos_1_sodium,328.07943209199993,YWJXCIXBAKGUKZ,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Actaea elata,988729.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea elata'],6,0,6.0 25096,803,-1,,,,0.0,MS1_match,TUODPMGCCJSJRH-LDYMZIIASA-N,"InChI=1S/C11H12O7/c12-7-3-1-6(2-4-7)5-11(18,10(16)17)8(13)9(14)15/h1-4,8,12-13,18H,5H2,(H,14,15)(H,16,17)/t8-,11-/m1/s1",O=C(O)[C@@H](O)[C@](O)(Cc1ccc(O)cc1)C(=O)O,C11H12O7,pos_1_sodium,256.05830272400004,TUODPMGCCJSJRH,Shikimates and Phenylpropanoids,,,Actaea simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],6,0,6.0 25097,803,-1,,,,0.0,MS1_match,TUODPMGCCJSJRH-LDYMZIIASA-N,"InChI=1S/C11H12O7/c12-7-3-1-6(2-4-7)5-11(18,10(16)17)8(13)9(14)15/h1-4,8,12-13,18H,5H2,(H,14,15)(H,16,17)/t8-,11-/m1/s1",O=C(O)[C@@H](O)[C@](O)(Cc1ccc(O)cc1)C(=O)O,C11H12O7,pos_1_sodium,256.05830272400004,TUODPMGCCJSJRH,Shikimates and Phenylpropanoids,,,Cimicifuga simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],6,0,6.0 25098,803,-1,,,,0.0,MS1_match,TUODPMGCCJSJRH-LDYMZIIASA-N,"InChI=1S/C11H12O7/c12-7-3-1-6(2-4-7)5-11(18,10(16)17)8(13)9(14)15/h1-4,8,12-13,18H,5H2,(H,14,15)(H,16,17)/t8-,11-/m1/s1",O=C(O)[C@@H](O)[C@](O)(Cc1ccc(O)cc1)C(=O)O,C11H12O7,pos_1_sodium,256.05830272400004,TUODPMGCCJSJRH,Shikimates and Phenylpropanoids,,,Actaea dahurica,462227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea dahurica'],6,0,6.0 25099,803,-1,,,,0.0,MS1_match,TUODPMGCCJSJRH-LDYMZIIASA-N,"InChI=1S/C11H12O7/c12-7-3-1-6(2-4-7)5-11(18,10(16)17)8(13)9(14)15/h1-4,8,12-13,18H,5H2,(H,14,15)(H,16,17)/t8-,11-/m1/s1",O=C(O)[C@@H](O)[C@](O)(Cc1ccc(O)cc1)C(=O)O,C11H12O7,pos_1_sodium,256.05830272400004,TUODPMGCCJSJRH,Shikimates and Phenylpropanoids,,,Actaea elata,988729.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea elata'],6,0,6.0 25100,803,-1,,,,0.0,MS1_match,TUODPMGCCJSJRH-LDYMZIIASA-N,"InChI=1S/C11H12O7/c12-7-3-1-6(2-4-7)5-11(18,10(16)17)8(13)9(14)15/h1-4,8,12-13,18H,5H2,(H,14,15)(H,16,17)/t8-,11-/m1/s1",O=C(O)[C@@H](O)[C@](O)(Cc1ccc(O)cc1)C(=O)O,C11H12O7,pos_1_sodium,256.05830272400004,TUODPMGCCJSJRH,Shikimates and Phenylpropanoids,,,Actaea japonica,988749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea japonica'],6,0,6.0 25101,803,-1,,,,0.0,MS1_match,TUODPMGCCJSJRH-LDYMZIIASA-N,"InChI=1S/C11H12O7/c12-7-3-1-6(2-4-7)5-11(18,10(16)17)8(13)9(14)15/h1-4,8,12-13,18H,5H2,(H,14,15)(H,16,17)/t8-,11-/m1/s1",O=C(O)[C@@H](O)[C@](O)(Cc1ccc(O)cc1)C(=O)O,C11H12O7,pos_1_sodium,256.05830272400004,TUODPMGCCJSJRH,Shikimates and Phenylpropanoids,,,Actaea heracleifolia,988745.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea heracleifolia'],6,0,6.0 25102,803,-1,,,,0.0,MS1_match,TUODPMGCCJSJRH-LDYMZIIASA-N,"InChI=1S/C11H12O7/c12-7-3-1-6(2-4-7)5-11(18,10(16)17)8(13)9(14)15/h1-4,8,12-13,18H,5H2,(H,14,15)(H,16,17)/t8-,11-/m1/s1",O=C(O)[C@@H](O)[C@](O)(Cc1ccc(O)cc1)C(=O)O,C11H12O7,pos_1_sodium,256.05830272400004,TUODPMGCCJSJRH,Shikimates and Phenylpropanoids,,,Actaea cimicifuga,988720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea cimicifuga'],6,0,6.0 25095,802,808,Amino acids and Peptides,Nicotinic acid alkaloids,Cyanogenic glycosides,0.43334582,ISDB,MDLTWTOQCHCLSZ-UHFFFAOYSA-N,"InChI=1S/C14H21NO8/c1-6-10(18)8(3-16)7(2-15-6)5-22-14-13(21)12(20)11(19)9(4-17)23-14/h2,9,11-14,16-21H,3-5H2,1H3",Cc1ncc(COC2OC(CO)C(O)C(O)C2O)c(CO)c1O,C14H21NO8,,331.126716632,MDLTWTOQCHCLSZ,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Pisum sativum,359905.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Fabeae'],['Pisum'],['Pisum sativum'],4,2,6.733383297920227 25060,798,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-PNQZTZQXSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14+,16-/m0/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1C[C@](O)(C(=O)O)C[C@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera bournei,5746380.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera bournei'],7,3,8.5 25061,798,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton1ammonium,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 25062,798,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton1ammonium,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera macrantha,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 25063,798,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton1ammonium,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera fulvotomentosa,650610.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera fulvotomentosa'],7,3,8.5 25064,798,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton1ammonium,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera confusa,594829.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera confusa'],7,3,8.5 25065,798,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton1ammonium,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera dasystyla,960340.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera dasystyla'],7,3,8.5 25066,798,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton1ammonium,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera similis,960338.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera similis'],7,3,8.5 25067,798,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton1ammonium,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera similis,960338.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera similis'],7,3,8.5 25068,798,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton1ammonium,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera dasystyla,960340.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera dasystyla'],7,3,8.5 25069,798,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton1ammonium,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera confusa,594829.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera confusa'],7,3,8.5 25070,798,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton1ammonium,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera fulvotomentosa,650610.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera fulvotomentosa'],7,3,8.5 25071,798,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton1ammonium,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera macrantha,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 25072,798,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton1ammonium,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera hypoglauca,235196.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera hypoglauca'],7,3,8.5 25073,798,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera implexa,692207.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera implexa'],7,3,8.5 25074,798,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GWTUHAXUUFROTF-AVXJPILUSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-16(15(23)24)6-11(19)14(22)12(20)7-16/h1-5,11-12,14,17-20,22H,6-7H2,(H,23,24)/b4-2+/t11-,12-,14?,16?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC1(C(=O)O)C[C@@H](O)C(O)[C@H](O)C1,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,GWTUHAXUUFROTF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 25075,798,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton1ammonium,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 25076,798,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GWTUHAXUUFROTF-AVXJPILUSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-16(15(23)24)6-11(19)14(22)12(20)7-16/h1-5,11-12,14,17-20,22H,6-7H2,(H,23,24)/b4-2+/t11-,12-,14?,16?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC1(C(=O)O)C[C@@H](O)C(O)[C@H](O)C1,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,GWTUHAXUUFROTF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 25077,798,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-PNQZTZQXSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14+,16-/m0/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1C[C@](O)(C(=O)O)C[C@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera bournei,5746380.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera bournei'],7,3,8.5 25078,798,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton1ammonium,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera hypoglauca,235196.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera hypoglauca'],7,3,8.5 25079,798,10,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera implexa,692207.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera implexa'],7,3,8.5 24994,797,94,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.8003175,ISDB,ZCCLDKGWJIREQF-PDBXOOCHSA-N,"InChI=1S/C21H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23/h3-4,6-7,9-10,20,22-23H,2,5,8,11-19H2,1H3/b4-3-,7-6-,10-9-",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC(CO)CO,C21H36O4,,352.261359632,ZCCLDKGWJIREQF,Fatty acids,Glycerolipids,Monoacylglycerols,Halimodendron halodendron,761641.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Caraganeae'],['Halimodendron'],['Halimodendron halodendron'],4,1,7.70127010345459 24992,796,-1,,,,0.0,MS1_match,RZKHWBQSRXGRFP-UHFFFAOYSA-N,"InChI=1S/C32H46O11/c1-9-18(3)26(34)40-23-15-30(8,37)32-14-22(29(6,7)43-32)13-24(41-28(36)21-11-12-38-16-21)31(32,17-39-20(5)33)25(23)42-27(35)19(4)10-2/h11-12,16,18-19,22-25,37H,9-10,13-15,17H2,1-8H3",CCC(C)C(=O)OC1CC(C)(O)C23CC(CC(OC(=O)c4ccoc4)C2(COC(C)=O)C1OC(=O)C(C)CC)C(C)(C)O3,C32H46O11,pos_1_1potassium,606.304012292,RZKHWBQSRXGRFP,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Euonymus nanoides,5513354.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus nanoides'],7,0,7.0 24950,795,-1,,,,0.63628805,ISDB,IQBMWEYFKNVACH-WYXVZEBFSA-N,"InChI=1S/C33H40O22/c34-6-15-19(41)23(45)26(48)31(50-15)54-29-24(46)20(42)17(8-36)52-33(29)55-30-25(47)21(43)16(7-35)51-32(30)53-28-22(44)18-13(40)4-10(37)5-14(18)49-27(28)9-1-2-11(38)12(39)3-9/h1-5,15-17,19-21,23-26,29-43,45-48H,6-8H2/t15-,16-,17-,19-,20+,21-,23+,24+,25+,26-,29-,30-,31+,32+,33+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C33H40O22,,788.20112292,IQBMWEYFKNVACH,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Nigella sativa,142360.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Nigelleae'],['Nigella'],['Nigella sativa'],6,0,8.545152187347412 24948,793,1364,Terpenoids,Sesquiterpenoids,Simple coumarins,0.0,MS1_match,XLYZUCCPECGBHX-GHCRHULKSA-N,"InChI=1S/C24H32O9/c1-12-7-8-16(30-13(2)25)23(6)20(32-21(28)15-9-10-29-11-15)18(27)17-19(31-14(3)26)24(12,23)33-22(17,4)5/h9-12,16-20,27H,7-8H2,1-6H3/t12-,16+,17-,18-,19-,20+,23+,24-/m1/s1",CC(=O)O[C@H]1CC[C@@H](C)[C@]23OC(C)(C)[C@H]([C@@H](O)[C@H](OC(=O)c4ccoc4)[C@]12C)[C@H]3OC(C)=O,C24H32O9,pos_2_1proton1potassium,464.204632604,XLYZUCCPECGBHX,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Maytenus boaria,418513.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Maytenus'],['Maytenus boaria'],6,2,7.0 24946,790,58,Polyketides,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,UASMTJSLCCDICT-UHFFFAOYSA-N,"InChI=1S/C13H18O2/c1-9-3-2-4-11(13(14)15)8-12-7-10(12)6-5-9/h3,8,10,12H,2,4-7H2,1H3,(H,14,15)",CC1=CCCC(C(=O)O)=CC2CC2CC1,C13H18O2,pos_2MCH3CNNa,206.130679816,UASMTJSLCCDICT,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,Valeriana dageletiana,7625130.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana dageletiana'],6,0,6.0 24947,790,58,Polyketides,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,UASMTJSLCCDICT-UHFFFAOYSA-N,"InChI=1S/C13H18O2/c1-9-3-2-4-11(13(14)15)8-12-7-10(12)6-5-9/h3,8,10,12H,2,4-7H2,1H3,(H,14,15)",CC1=CCCC(C(=O)O)=CC2CC2CC1,C13H18O2,pos_2MCH3CNNa,206.130679816,UASMTJSLCCDICT,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 24943,785,-1,,,,0.29569313,ISDB,WVHDCAPOGJJVCD-UHFFFAOYSA-N,"InChI=1S/C42H46O21/c1-16-28(47)31(50)34(53)40(57-16)56-15-25-38(62-26(46)12-5-18-3-8-20(43)9-4-18)33(52)36(55)42(61-25)63-39-30(49)27-23(45)13-22(59-41-35(54)32(51)29(48)17(2)58-41)14-24(27)60-37(39)19-6-10-21(44)11-7-19/h3-14,16-17,25,28-29,31-36,38,40-45,47-48,50-55H,15H2,1-2H3",CC1OC(OCC2OC(Oc3c(-c4ccc(O)cc4)oc4cc(OC5OC(C)C(O)C(O)C5O)cc(O)c4c3=O)C(O)C(O)C2OC(=O)C=Cc2ccc(O)cc2)C(O)C(O)C1O,C42H46O21,,886.253158492,WVHDCAPOGJJVCD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Eustoma grandiflorum,633066.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Gentianaceae'],['Chironieae'],['Eustoma'],['Eustoma exaltatum'],4,0,5.182772517204285 24794,783,-1,,,,0.3397434,ISDB,WRXVPTMENPZUIZ-MOVIZTNPSA-N,"InChI=1S/C33H40O19/c1-10-19(37)23(41)26(44)31(47-10)46-9-17-21(39)25(43)30(52-32-27(45)24(42)20(38)11(2)48-32)33(50-17)51-29-22(40)18-15(36)7-14(35)8-16(18)49-28(29)12-3-5-13(34)6-4-12/h3-8,10-11,17,19-21,23-27,30-39,41-45H,9H2,1-2H3/t10-,11-,17+,19-,20-,21-,23+,24+,25-,26+,27+,30+,31+,32-,33-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)[C@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C33H40O19,,740.21637906,WRXVPTMENPZUIZ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Monteverdia aquifolium,1060183.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Monteverdia'],['Monteverdia aquifolia'],6,0,7.3589736223220825 24795,783,-1,,,,0.3397434,ISDB,WRXVPTMENPZUIZ-UHFFFAOYSA-N,"InChI=1S/C33H40O19/c1-10-19(37)23(41)26(44)31(47-10)46-9-17-21(39)25(43)30(52-32-27(45)24(42)20(38)11(2)48-32)33(50-17)51-29-22(40)18-15(36)7-14(35)8-16(18)49-28(29)12-3-5-13(34)6-4-12/h3-8,10-11,17,19-21,23-27,30-39,41-45H,9H2,1-2H3",CC1OC(OCC2OC(Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O,C33H40O19,,740.21637906,WRXVPTMENPZUIZ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Monteverdia truncata,7054806.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Monteverdia'],['Monteverdia truncata'],6,0,7.3589736223220825 24796,783,-1,,,,0.3397434,ISDB,WRXVPTMENPZUIZ-MOVIZTNPSA-N,"InChI=1S/C33H40O19/c1-10-19(37)23(41)26(44)31(47-10)46-9-17-21(39)25(43)30(52-32-27(45)24(42)20(38)11(2)48-32)33(50-17)51-29-22(40)18-15(36)7-14(35)8-16(18)49-28(29)12-3-5-13(34)6-4-12/h3-8,10-11,17,19-21,23-27,30-39,41-45H,9H2,1-2H3/t10-,11-,17+,19-,20-,21-,23+,24+,25-,26+,27+,30+,31+,32-,33-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)[C@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C33H40O19,,740.21637906,WRXVPTMENPZUIZ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Monteverdia ilicifolia,433235.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Monteverdia'],['Monteverdia ilicifolia'],6,0,7.3589736223220825 24775,782,7,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.4133054,ISDB,RLGBUTVIBWFTRW-IIEYBPOLSA-N,"InChI=1S/C27H36O3/c1-24(2)20-11-13-27-12-10-18(26(4,30)16-27)14-21(27)25(20,3)15-19(23(24)29)22(28)17-8-6-5-7-9-17/h5-10,12,18-22,28,30H,11,13-16H2,1-4H3/t18-,19+,20+,21-,22+,25+,26-,27+/m0/s1",CC1(C)C(=O)[C@@H]([C@H](O)c2ccccc2)C[C@]2(C)[C@@H]1CC[C@@]13C=C[C@@H](C[C@H]12)[C@@](C)(O)C3,C27H36O3,,408.266445012,RLGBUTVIBWFTRW,Terpenoids,Diterpenoids,Atisane diterpenoids,Androstachys johnsonii,510615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Picrodendraceae'],['Unknown'],['Androstachys'],['Androstachys johnsonii'],0,1,2.153221607208252 24733,781,153,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.6419523,ISDB,ASYWVBBBOMJYAC-DYEAUMGKSA-N,"InChI=1S/C11H12O5/c1-5-3-8-9(7(13)4-15-8)10(14)11(5)16-6(2)12/h4-5,11,13H,3H2,1-2H3/t5-,11-/m0/s1",CC(=O)O[C@@H]1C(=O)c2c(O)coc2C[C@@H]1C,C11H12O5,,224.068473484,ASYWVBBBOMJYAC,Terpenoids,,,Clinopodium ashei,248835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Clinopodium'],['Clinopodium ashei'],4,1,7.067809104919434 24729,780,-1,,,,0.4500774,ISDB,WVHAUDNUGBNUDZ-GOVZDWNOSA-N,"InChI=1S/C12H14O7/c13-7-8(14)10(11(16)17)19-12(9(7)15)18-6-4-2-1-3-5-6/h1-5,7-10,12-15H,(H,16,17)/t7-,8-,9+,10-,12+/m0/s1",O=C(O)[C@H]1O[C@@H](Oc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O,C12H14O7,,270.073952788,WVHAUDNUGBNUDZ,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Glycine max,681762.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Glycine max'],4,0,5.800309658050537 24727,777,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,SUGOCCUAKZVLFE-SDTHRHJYSA-N,"InChI=1S/C19H28O10/c1-2-3-6-27-18(26)12(22)8-10-4-5-13(11(21)7-10)28-19-17(25)16(24)15(23)14(9-20)29-19/h4-5,7,12,14-17,19-25H,2-3,6,8-9H2,1H3/t12-,14-,15-,16+,17-,19-/m1/s1",CCCCOC(=O)[C@H](O)Cc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1,C19H28O10,pos_1_sodium,416.168247096,SUGOCCUAKZVLFE,,,,Ranunculus chinensis,162150.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus chinensis'],6,0,6.0 24728,777,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,SUGOCCUAKZVLFE-SDTHRHJYSA-N,"InChI=1S/C19H28O10/c1-2-3-6-27-18(26)12(22)8-10-4-5-13(11(21)7-10)28-19-17(25)16(24)15(23)14(9-20)29-19/h4-5,7,12,14-17,19-25H,2-3,6,8-9H2,1H3/t12-,14-,15-,16+,17-,19-/m1/s1",CCCCOC(=O)[C@H](O)Cc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1,C19H28O10,pos_1_sodium,416.168247096,SUGOCCUAKZVLFE,,,,Ranunculus cantoniensis,118756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus cantoniensis'],6,0,6.0 24720,775,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,TUODPMGCCJSJRH-LDYMZIIASA-N,"InChI=1S/C11H12O7/c12-7-3-1-6(2-4-7)5-11(18,10(16)17)8(13)9(14)15/h1-4,8,12-13,18H,5H2,(H,14,15)(H,16,17)/t8-,11-/m1/s1",O=C(O)[C@@H](O)[C@](O)(Cc1ccc(O)cc1)C(=O)O,C11H12O7,pos_1_1proton1methanol,256.05830272400004,TUODPMGCCJSJRH,Shikimates and Phenylpropanoids,,,Actaea simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],6,1,6.5 24721,775,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,TUODPMGCCJSJRH-LDYMZIIASA-N,"InChI=1S/C11H12O7/c12-7-3-1-6(2-4-7)5-11(18,10(16)17)8(13)9(14)15/h1-4,8,12-13,18H,5H2,(H,14,15)(H,16,17)/t8-,11-/m1/s1",O=C(O)[C@@H](O)[C@](O)(Cc1ccc(O)cc1)C(=O)O,C11H12O7,pos_1_1proton1methanol,256.05830272400004,TUODPMGCCJSJRH,Shikimates and Phenylpropanoids,,,Cimicifuga simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],6,1,6.5 24722,775,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,TUODPMGCCJSJRH-LDYMZIIASA-N,"InChI=1S/C11H12O7/c12-7-3-1-6(2-4-7)5-11(18,10(16)17)8(13)9(14)15/h1-4,8,12-13,18H,5H2,(H,14,15)(H,16,17)/t8-,11-/m1/s1",O=C(O)[C@@H](O)[C@](O)(Cc1ccc(O)cc1)C(=O)O,C11H12O7,pos_1_1proton1methanol,256.05830272400004,TUODPMGCCJSJRH,Shikimates and Phenylpropanoids,,,Actaea dahurica,462227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea dahurica'],6,1,6.5 24723,775,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,TUODPMGCCJSJRH-LDYMZIIASA-N,"InChI=1S/C11H12O7/c12-7-3-1-6(2-4-7)5-11(18,10(16)17)8(13)9(14)15/h1-4,8,12-13,18H,5H2,(H,14,15)(H,16,17)/t8-,11-/m1/s1",O=C(O)[C@@H](O)[C@](O)(Cc1ccc(O)cc1)C(=O)O,C11H12O7,pos_1_1proton1methanol,256.05830272400004,TUODPMGCCJSJRH,Shikimates and Phenylpropanoids,,,Actaea elata,988729.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea elata'],6,1,6.5 24724,775,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,TUODPMGCCJSJRH-LDYMZIIASA-N,"InChI=1S/C11H12O7/c12-7-3-1-6(2-4-7)5-11(18,10(16)17)8(13)9(14)15/h1-4,8,12-13,18H,5H2,(H,14,15)(H,16,17)/t8-,11-/m1/s1",O=C(O)[C@@H](O)[C@](O)(Cc1ccc(O)cc1)C(=O)O,C11H12O7,pos_1_1proton1methanol,256.05830272400004,TUODPMGCCJSJRH,Shikimates and Phenylpropanoids,,,Actaea japonica,988749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea japonica'],6,1,6.5 24725,775,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,TUODPMGCCJSJRH-LDYMZIIASA-N,"InChI=1S/C11H12O7/c12-7-3-1-6(2-4-7)5-11(18,10(16)17)8(13)9(14)15/h1-4,8,12-13,18H,5H2,(H,14,15)(H,16,17)/t8-,11-/m1/s1",O=C(O)[C@@H](O)[C@](O)(Cc1ccc(O)cc1)C(=O)O,C11H12O7,pos_1_1proton1methanol,256.05830272400004,TUODPMGCCJSJRH,Shikimates and Phenylpropanoids,,,Actaea heracleifolia,988745.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea heracleifolia'],6,1,6.5 24726,775,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,TUODPMGCCJSJRH-LDYMZIIASA-N,"InChI=1S/C11H12O7/c12-7-3-1-6(2-4-7)5-11(18,10(16)17)8(13)9(14)15/h1-4,8,12-13,18H,5H2,(H,14,15)(H,16,17)/t8-,11-/m1/s1",O=C(O)[C@@H](O)[C@](O)(Cc1ccc(O)cc1)C(=O)O,C11H12O7,pos_1_1proton1methanol,256.05830272400004,TUODPMGCCJSJRH,Shikimates and Phenylpropanoids,,,Actaea cimicifuga,988720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea cimicifuga'],6,1,6.5 24718,774,-1,,,,0.0,MS1_match,HJOAQEYWNOPRHE-LCENJUANSA-N,"InChI=1S/C27H34O15/c1-10-4-13(29)18-14(30)5-15-12(25(18)40-10)3-2-11(7-37-15)8-38-26-24(36)22(34)20(32)17(42-26)9-39-27-23(35)21(33)19(31)16(6-28)41-27/h2,4-5,16-17,19-24,26-28,30-36H,3,6-9H2,1H3/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",Cc1cc(=O)c2c(O)cc3c(c2o1)CC=C(CO[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)CO3,C27H34O15,pos_1_1proton,598.189770388,HJOAQEYWNOPRHE,Polyketides,Chromanes,Chromones,Eranthis hyemalis,756503.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Eranthis'],['Eranthis hyemalis'],6,0,6.0 24719,774,-1,,,,0.0,MS1_match,HJOAQEYWNOPRHE-LCENJUANSA-N,"InChI=1S/C27H34O15/c1-10-4-13(29)18-14(30)5-15-12(25(18)40-10)3-2-11(7-37-15)8-38-26-24(36)22(34)20(32)17(42-26)9-39-27-23(35)21(33)19(31)16(6-28)41-27/h2,4-5,16-17,19-24,26-28,30-36H,3,6-9H2,1H3/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",Cc1cc(=O)c2c(O)cc3c(c2o1)CC=C(CO[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)CO3,C27H34O15,pos_1_1proton,598.189770388,HJOAQEYWNOPRHE,Polyketides,Chromanes,Chromones,Eranthis cilicica,5922989.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Eranthis'],['Eranthis cilicica'],6,0,6.0 24717,772,432,Polyketides,Glycerolipids,Glycosyldiacylglycerols,0.37740466,ISDB,ZFHFRLPFRLZAPJ-IVOUXGOCSA-N,"InChI=1S/C51H82O15/c1-25-24-61-42(27(3)26(25)2)65-40-37(56)36(55)39(41(58)60-11)64-44(40)63-33-15-16-48(8)31(47(33,6)7)14-17-50(10)32(48)13-12-28-29-22-46(4,5)18-20-51(29,21-19-49(28,50)9)45(59)66-43-38(57)35(54)34(53)30(23-52)62-43/h12,25-27,29-40,42-44,52-57H,13-24H2,1-11H3/t25-,26+,27-,29+,30-,31+,32-,33+,34-,35+,36+,37+,38-,39+,40-,42+,43+,44-,48+,49-,50-,51+/m1/s1",COC(=O)[C@H]1O[C@@H](O[C@H]2CC[C@]3(C)[C@H]4CC=C5[C@@H]6CC(C)(C)CC[C@]6(C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@@]5(C)[C@]4(C)CC[C@H]3C2(C)C)[C@H](O[C@@H]2OC[C@@H](C)[C@H](C)[C@H]2C)[C@@H](O)[C@@H]1O,C51H82O15,,934.565371924,ZFHFRLPFRLZAPJ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Panax stipuleanatus,160834.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax stipuleanatus'],4,0,5.509618639945984 24688,771,523,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.3981646,ISDB,OJTWEIFHVWJUKP-UHFFFAOYSA-N,"InChI=1S/C36H36O18/c37-13-22-26(42)29(45)32(48)36(52-22)54-34-28(44)25-20(40)11-19(12-21(25)51-33(34)16-4-8-18(39)9-5-16)50-35-31(47)30(46)27(43)23(53-35)14-49-24(41)10-3-15-1-6-17(38)7-2-15/h1-12,22-23,26-27,29-32,35-40,42-43,45-48H,13-14H2",O=C(C=Cc1ccc(O)cc1)OCC1OC(Oc2cc(O)c3c(=O)c(OC4OC(CO)C(O)C(O)C4O)c(-c4ccc(O)cc4)oc3c2)C(O)C(O)C1O,C36H36O18,,756.190164312,OJTWEIFHVWJUKP,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Aconitum noveboracense,506026.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum columbianum'],6,3,9.092658400535583 24684,770,116,Alkaloids,Ornithine alkaloids,Polyamines,0.59305346,ISDB,UBMDAKWARMURDL-FNORWQNLSA-N,"InChI=1S/C15H22N4O3/c1-22-13-10-11(4-6-12(13)20)5-7-14(21)18-8-2-3-9-19-15(16)17/h4-7,10,20H,2-3,8-9H2,1H3,(H,18,21)(H4,16,17,19)/b7-5+",COc1cc(/C=C/C(=O)NCCCCNC(=N)N)ccc1O,C15H22N4O3,,306.169190564,UBMDAKWARMURDL,Alkaloids,Ornithine alkaloids,Polyamines,Corydalis saxicola,345836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis saxicola'],5,3,8.87221384048462 24683,768,-1,,,,0.0,MS1_match,ZKKNABJGMLHVHS-DIACKHNESA-N,"InChI=1S/C14H18O9/c15-4-9-10(17)11(18)12(19)14(23-9)22-5-6-3-7(16)1-2-8(6)13(20)21/h1-3,9-12,14-19H,4-5H2,(H,20,21)/t9-,10-,11+,12-,14+/m1/s1",O=C(O)c1ccc(O)cc1CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H18O9,pos_1_sodium,330.095082156,ZKKNABJGMLHVHS,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Dipsacus laciniatus,489131.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Dipsacus'],['Dipsacus laciniatus'],6,0,6.0 24675,767,73,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.37494045,ISDB,OARNNVHEVHXYOP-IKYWDFKNSA-N,"InChI=1S/C42H66O12/c1-22(2)23(3)17-34(44)53-33-21-32-39(7)14-12-28(18-27(39)11-15-41(32,46)42(47)16-13-29(24(4)43)40(33,42)8)52-35-20-31(49-10)38(26(6)51-35)54-36-19-30(48-9)37(45)25(5)50-36/h11,17,22,25-26,28-33,35-38,45-47H,12-16,18-21H2,1-10H3/b23-17+/t25-,26-,28+,29+,30+,31+,32-,33-,35+,36+,37-,38-,39+,40+,41+,42-/m1/s1",CO[C@H]1C[C@H](O[C@H]2[C@@H](OC)C[C@H](O[C@H]3CC[C@@]4(C)C(=CC[C@]5(O)[C@@H]4C[C@@H](OC(=O)/C=C(\C)C(C)C)[C@]4(C)[C@H](C(C)=O)CC[C@@]45O)C3)O[C@@H]2C)O[C@H](C)[C@H]1O,C42H66O12,,762.455427552,OARNNVHEVHXYOP,Terpenoids,Steroids,Pregnane steroids,Cynanchum boudieri,727538.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Asclepiadeae'],['Cynanchum'],['Cynanchum boudieri'],4,1,5.9997618198394775 24676,767,73,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.37494045,ISDB,OARNNVHEVHXYOP-IKYWDFKNSA-N,"InChI=1S/C42H66O12/c1-22(2)23(3)17-34(44)53-33-21-32-39(7)14-12-28(18-27(39)11-15-41(32,46)42(47)16-13-29(24(4)43)40(33,42)8)52-35-20-31(49-10)38(26(6)51-35)54-36-19-30(48-9)37(45)25(5)50-36/h11,17,22,25-26,28-33,35-38,45-47H,12-16,18-21H2,1-10H3/b23-17+/t25-,26-,28+,29+,30+,31+,32-,33-,35+,36+,37-,38-,39+,40+,41+,42-/m1/s1",CO[C@H]1C[C@H](O[C@H]2[C@@H](OC)C[C@H](O[C@H]3CC[C@@]4(C)C(=CC[C@]5(O)[C@@H]4C[C@@H](OC(=O)/C=C(\C)C(C)C)[C@]4(C)[C@H](C(C)=O)CC[C@@]45O)C3)O[C@@H]2C)O[C@H](C)[C@H]1O,C42H66O12,,762.455427552,OARNNVHEVHXYOP,Terpenoids,Steroids,Pregnane steroids,Cynanchum caudatum,727549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Asclepiadeae'],['Cynanchum'],['Cynanchum caudatum'],4,1,5.9997618198394775 24677,767,73,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.37494045,ISDB,OARNNVHEVHXYOP-IKYWDFKNSA-N,"InChI=1S/C42H66O12/c1-22(2)23(3)17-34(44)53-33-21-32-39(7)14-12-28(18-27(39)11-15-41(32,46)42(47)16-13-29(24(4)43)40(33,42)8)52-35-20-31(49-10)38(26(6)51-35)54-36-19-30(48-9)37(45)25(5)50-36/h11,17,22,25-26,28-33,35-38,45-47H,12-16,18-21H2,1-10H3/b23-17+/t25-,26-,28+,29+,30+,31+,32-,33-,35+,36+,37-,38-,39+,40+,41+,42-/m1/s1",CO[C@H]1C[C@H](O[C@H]2[C@@H](OC)C[C@H](O[C@H]3CC[C@@]4(C)C(=CC[C@]5(O)[C@@H]4C[C@@H](OC(=O)/C=C(\C)C(C)C)[C@]4(C)[C@H](C(C)=O)CC[C@@]45O)C3)O[C@@H]2C)O[C@H](C)[C@H]1O,C42H66O12,,762.455427552,OARNNVHEVHXYOP,Terpenoids,Steroids,Pregnane steroids,Orthosia guilleminiana,727549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Asclepiadeae'],['Cynanchum'],['Cynanchum caudatum'],4,1,5.9997618198394775 24665,766,158,Polyketides,Cyclic polyketides,Cinnamic acids and derivatives,0.20287219,ISDB,CLTIBVYVKQWLQV-UHFFFAOYSA-N,"InChI=1S/C12H20O3/c1-10(13)6-3-2-4-7-11-8-5-9-12(14)15-11/h5,9-11,13H,2-4,6-8H2,1H3",CC(O)CCCCCC1CC=CC(=O)O1,C12H20O3,,212.1412445,CLTIBVYVKQWLQV,Polyketides,Cyclic polyketides,2-pyrone derivatives,Phleum pratense,578767.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Poeae'],['Phleum'],['Phleum pratense'],4,2,5.811488747596741 24648,763,37,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.83459926,ISDB,HAIPHKFLSXSDAN-BLOCXYQCSA-N,"InChI=1S/C44H76NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-17-15-13-11-9-7-2/h8,10,14,16,19-20,22-23,25,27,31,33,42H,6-7,9,11-13,15,17-18,21,24,26,28-30,32,34-41H2,1-5H3/b10-8-,16-14-,20-19-,23-22-,27-25-,33-31-/t42-/m1/s1",CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C,C44H76NO8P,,777.530855022,HAIPHKFLSXSDAN,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Aphis gossypii,1026471.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hemiptera'],['Aphididae'],['Aphidini'],['Aphis'],['Aphis gossypii'],1,3,5.838397026062012 24649,763,37,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.83459926,ISDB,HAIPHKFLSXSDAN-BLOCXYQCSA-N,"InChI=1S/C44H76NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-17-15-13-11-9-7-2/h8,10,14,16,19-20,22-23,25,27,31,33,42H,6-7,9,11-13,15,17-18,21,24,26,28-30,32,34-41H2,1-5H3/b10-8-,16-14-,20-19-,23-22-,27-25-,33-31-/t42-/m1/s1",CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C,C44H76NO8P,,777.530855022,HAIPHKFLSXSDAN,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Lysiphlebia japonica,697724.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hymenoptera'],['Braconidae'],['Unknown'],['Lysiphlebia'],['Lysiphlebia japonica'],1,3,5.838397026062012 24646,762,653,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,0.3336145,ISDB,,,,,,,PGCOHQZPXWBFSZ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.3344579935073853 24490,760,434,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,0.0,MS1_match,RGHHSNMVTDWUBI-UHFFFAOYSA-N,"InChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H",O=Cc1ccc(O)cc1,C7H6O2,pos_1_1proton2acetonitrile,122.036779432,RGHHSNMVTDWUBI,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,Maytenus boaria,418513.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Maytenus'],['Maytenus boaria'],6,3,7.5 24491,760,434,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,0.0,MS1_match,RGHHSNMVTDWUBI-UHFFFAOYSA-N,"InChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H",O=Cc1ccc(O)cc1,C7H6O2,pos_1_1proton2acetonitrile,122.036779432,RGHHSNMVTDWUBI,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,Microtropis fokienensis,1015845.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Microtropis'],['Microtropis fokienensis'],6,3,7.5 24463,756,558,Amino acids and Peptides,Small peptides,Aminoacids,0.76088923,ISDB,SRXKAYJJGAAOBP-LURJTMIESA-N,"InChI=1S/C7H14N2O3/c1-5(10)9-4-2-3-6(8)7(11)12/h6H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t6-/m0/s1",CC(=O)NCCC[C@H](N)C(=O)O,C7H14N2O3,,174.100442308,SRXKAYJJGAAOBP,Amino acids and Peptides,Small peptides,Aminoacids,Corydalis ochotensis,818452.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis ochotensis'],5,3,9.543556928634644 24464,756,558,Amino acids and Peptides,Small peptides,Aminoacids,0.76088923,ISDB,SRXKAYJJGAAOBP-LURJTMIESA-N,"InChI=1S/C7H14N2O3/c1-5(10)9-4-2-3-6(8)7(11)12/h6H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t6-/m0/s1",CC(=O)NCCC[C@H](N)C(=O)O,C7H14N2O3,,174.100442308,SRXKAYJJGAAOBP,Amino acids and Peptides,Small peptides,Aminoacids,Corydalis sibirica,5727947.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis sibirica'],5,3,9.543556928634644 24465,756,558,Amino acids and Peptides,Small peptides,Aminoacids,0.76088923,ISDB,SRXKAYJJGAAOBP-LURJTMIESA-N,"InChI=1S/C7H14N2O3/c1-5(10)9-4-2-3-6(8)7(11)12/h6H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t6-/m0/s1",CC(=O)NCCC[C@H](N)C(=O)O,C7H14N2O3,,174.100442308,SRXKAYJJGAAOBP,Amino acids and Peptides,Small peptides,Aminoacids,Corydalis cornuta,6130333.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis cornuta'],5,3,9.543556928634644 24411,755,642,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.5179126,ISDB,GKUSDFCBGXFHIL-CXXZEMTDSA-N,"InChI=1S/C15H18O8/c16-9-4-1-8(2-5-9)3-6-11(17)22-7-10-12(18)13(19)14(20)15(21)23-10/h1-6,10,12-16,18-21H,7H2/b6-3+/t10-,12-,13+,14-,15?/m1/s1",O=C(/C=C/c1ccc(O)cc1)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O8,,326.1001675359999,GKUSDFCBGXFHIL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis tashiroi,21287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tashiroi'],8,3,11.571650505065918 24408,754,72,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.37926304,ISDB,,,,,,,BKPBDNJGYXIRBK,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.517052173614502 24407,753,72,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.20198399,ISDB,MMMDTKLGUHFRRJ-KPRDWXIZSA-N,"InChI=1S/C40H73NO9/c1-3-5-7-9-11-13-15-16-17-19-21-23-25-27-29-34(44)39(48)41-32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)33(43)28-26-24-22-20-18-14-12-10-8-6-4-2/h15-16,20-23,32-38,40,42-47H,3-14,17-19,24-31H2,1-2H3,(H,41,48)/b16-15+,22-20+,23-21+/t32-,33?,34?,35+,36+,37-,38+,40+/m0/s1",CCCCCCC/C=C/CC/C=C/CCCC(O)C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(O)CCC/C=C/CCCCCCCC,C40H73NO9,,711.528532916,MMMDTKLGUHFRRJ,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Penicillium,199764.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Penicillium'],['Unknown'],1,3,3.307935953140259 24406,752,325,Shikimates and Phenylpropanoids,Flavonoids,Iridoids monoterpenoids,0.0,MS1_match,YMZBVMSUANSVLO-MMGDPGAJSA-N,"InChI=1S/C48H56O27/c1-16-30(55)34(59)37(62)46(67-16)69-21-12-24(53)29-25(13-21)70-42(19-6-9-22(51)23(52)11-19)43(33(29)58)74-48-39(64)36(61)32(57)27(72-48)15-66-45-40(65)44(75-47-38(63)35(60)31(56)26(14-49)71-47)41(17(2)68-45)73-28(54)10-5-18-3-7-20(50)8-4-18/h3-13,16-17,26-27,30-32,34-41,44-53,55-57,59-65H,14-15H2,1-2H3/b10-5+/t16-,17-,26+,27+,30-,31+,32-,34+,35-,36-,37+,38+,39+,40+,41-,44-,45+,46-,47-,48-/m0/s1",C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](OC(=O)/C=C/c6ccc(O)cc6)[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H]5O)[C@H](O)[C@H](O)[C@H]4O)c(-c4ccc(O)c(O)c4)oc3c2)[C@H](O)[C@H](O)[C@H]1O,C48H56O27,pos_1_1proton,1064.3008965320005,YMZBVMSUANSVLO,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Aconitum anthora,14057.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum anthora'],6,2,7.0 24377,751,58,Polyketides,Glycerolipids,Glycosyldiacylglycerols,0.62237036,ISDB,,,,,,,PGXBELQFNRPKBC,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.4894814491271973 24374,750,44,Terpenoids,Tryptophan alkaloids,Cinnamic acids and derivatives,0.34984076,ISDB,OJSSGTSWSGCVLV-UHFFFAOYSA-N,"InChI=1S/C20H18N2O2/c1-24-20(23)11-16-15-7-3-5-9-18(15)22-19(16)10-13-12-21-17-8-4-2-6-14(13)17/h2-9,12,21-22H,10-11H2,1H3",COC(=O)Cc1c(Cc2c[nH]c3ccccc23)[nH]c2ccccc12,C20H18N2O2,,318.136827816,OJSSGTSWSGCVLV,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Fusarium,655794.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Hypocreales'],['Nectriaceae'],['Unknown'],['Fusarium'],['Unknown'],1,2,3.3993630409240723 24309,748,94,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.7973244,ISDB,ZCCLDKGWJIREQF-PDBXOOCHSA-N,"InChI=1S/C21H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23/h3-4,6-7,9-10,20,22-23H,2,5,8,11-19H2,1H3/b4-3-,7-6-,10-9-",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC(CO)CO,C21H36O4,,352.261359632,ZCCLDKGWJIREQF,Fatty acids,Glycerolipids,Monoacylglycerols,Halimodendron halodendron,761641.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Caraganeae'],['Halimodendron'],['Halimodendron halodendron'],4,1,7.689297676086426 24305,738,904,,,,0.61167437,ISDB,,,,,,,WIHSZOXPODIZSW,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.446697473526001 24260,735,7,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.29509446,ISDB,QOCBLJWPUILPNE-DGDOQUKGSA-N,"InChI=1S/C40H54O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(43-40)28-39(40,10)42/h11-20,23-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39-,40-/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]23O[C@@H](CC2(C)C)C[C@@]3(C)O)C(C)(C)C[C@H](O)C1,C40H54O3,,582.407295588,QOCBLJWPUILPNE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Corbicula sandai,920655.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Bivalvia'],['Venerida'],['Cyrenidae'],['Unknown'],['Corbicula'],['Corbicula sandai'],1,3,3.6803778409957886 24261,735,7,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.29509446,ISDB,QOCBLJWPUILPNE-DGDOQUKGSA-N,"InChI=1S/C40H54O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(43-40)28-39(40,10)42/h11-20,23-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39-,40-/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]23O[C@@H](CC2(C)C)C[C@@]3(C)O)C(C)(C)C[C@H](O)C1,C40H54O3,,582.407295588,QOCBLJWPUILPNE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Magallana gigas,987409.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Bivalvia'],['Ostreida'],['Ostreidae'],['Unknown'],['Magallana'],['Magallana gigas'],1,3,3.6803778409957886 24262,735,7,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.29509446,ISDB,QOCBLJWPUILPNE-DGDOQUKGSA-N,"InChI=1S/C40H54O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(43-40)28-39(40,10)42/h11-20,23-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39-,40-/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]23O[C@@H](CC2(C)C)C[C@@]3(C)O)C(C)(C)C[C@H](O)C1,C40H54O3,,582.407295588,QOCBLJWPUILPNE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Corbicula japonica,920654.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Bivalvia'],['Venerida'],['Cyrenidae'],['Unknown'],['Corbicula'],['Corbicula japonica'],1,3,3.6803778409957886 24263,735,7,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.29509446,ISDB,QOCBLJWPUILPNE-DGDOQUKGSA-N,"InChI=1S/C40H54O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(43-40)28-39(40,10)42/h11-20,23-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39-,40-/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]23O[C@@H](CC2(C)C)C[C@@]3(C)O)C(C)(C)C[C@H](O)C1,C40H54O3,,582.407295588,QOCBLJWPUILPNE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Crassostrea gigas,987409.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Bivalvia'],['Ostreida'],['Ostreidae'],['Unknown'],['Magallana'],['Magallana gigas'],1,3,3.6803778409957886 22759,734,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.5354392,ISDB,KIQXKOUFPHTUQS-MTXIQXFFSA-N,"InChI=1S/C15H24O/c1-10(9-16)8-13-6-4-11(2)14-7-5-12(3)15(13)14/h8,11,13-14,16H,4-7,9H2,1-3H3/b10-8+/t11-,13+,14-/m1/s1",CC1=C2[C@H](/C=C(\C)CO)CC[C@@H](C)[C@H]2CC1,C15H24O,,220.182715388,KIQXKOUFPHTUQS,Terpenoids,Sesquiterpenoids,Valerenane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,2,9.141756772994995 22752,730,7,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.41501215,ISDB,GTBFQOGSRWBGDY-UJHNSAFVSA-N,"InChI=1S/C27H34O/c1-24(2)21-11-13-27-15-14-25(3,18-27)12-10-22(27)26(21,4)17-20(23(24)28)16-19-8-6-5-7-9-19/h5-9,14-16,21-22H,10-13,17-18H2,1-4H3/b20-16+/t21-,22+,25-,26-,27+/m1/s1",CC1(C)C(=O)/C(=C/c2ccccc2)C[C@]2(C)[C@@H]1CC[C@@]13C=C[C@@](C)(CC[C@H]12)C3,C27H34O,,374.260965708,GTBFQOGSRWBGDY,Terpenoids,Diterpenoids,Beyerane diterpenoids,Androstachys johnsonii,510615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Picrodendraceae'],['Unknown'],['Androstachys'],['Androstachys johnsonii'],4,1,6.160048604011536 22747,728,-1,,,,0.3203083,ISDB,CBSLALAKOKYDBZ-KWXOLURISA-N,"InChI=1S/C39H50O25/c1-10-21(45)26(50)29(53)36(57-10)56-9-19-24(48)28(52)35(64-38-31(55)33(22(46)11(2)58-38)62-37-30(54)27(51)23(47)18(8-40)60-37)39(61-19)63-34-25(49)20-16(44)6-13(41)7-17(20)59-32(34)12-3-4-14(42)15(43)5-12/h3-7,10-11,18-19,21-24,26-31,33,35-48,50-55H,8-9H2,1-2H3/t10-,11+,18-,19-,21-,22+,23-,24+,26+,27+,28+,29+,30-,31-,33-,35-,36+,37+,38+,39+/m0/s1",C[C@@H]1O[C@@H](OC[C@@H]2O[C@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@@H](O[C@H]3O[C@H](C)[C@@H](O)[C@H](O[C@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)[C@@H]3O)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C39H50O25,,918.2641171000004,CBSLALAKOKYDBZ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Monteverdia aquifolium,1060183.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Monteverdia'],['Monteverdia aquifolia'],6,0,7.281233191490173 22746,727,-1,,,,0.0,MS1_match,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,pos_1_1proton,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 22741,726,-1,,,,0.0,MS1_match,FJKROLUGYXJWQN-UHFFFAOYSA-N,"InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)",O=C(O)c1ccc(O)cc1,C7H6O3,pos_2MNa,138.031694052,FJKROLUGYXJWQN,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Lonicera microphylla,980075.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera microphylla'],7,0,7.0 22739,723,591,Terpenoids,Sesquiterpenoids,Abeoabietane diterpenoids,0.0,MS1_match,MLGLJFWISHCOAE-UHFFFAOYSA-N,"InChI=1S/C17H20O4/c1-16(2)5-4-6-17(3)10-8-12(19)11(18)7-9(10)13(20)14(21)15(16)17/h7-8,18-19,21H,4-6H2,1-3H3",CC1(C)CCCC2(C)C1=C(O)C(=O)c1cc(O)c(O)cc12,C17H20O4,pos_2MH,288.13615912,MLGLJFWISHCOAE,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Celastrus stephanotifolius,6092505.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Celastrus'],['Celastrus stephanotifolius'],6,3,7.5 22740,723,591,Terpenoids,Sesquiterpenoids,Abeoabietane diterpenoids,0.0,MS1_match,MLGLJFWISHCOAE-QGZVFWFLSA-N,"InChI=1S/C17H20O4/c1-16(2)5-4-6-17(3)10-8-12(19)11(18)7-9(10)13(20)14(21)15(16)17/h7-8,18-19,21H,4-6H2,1-3H3/t17-/m1/s1",CC1(C)CCC[C@@]2(C)C1=C(O)C(=O)c1cc(O)c(O)cc12,C17H20O4,pos_2MH,288.13615912,MLGLJFWISHCOAE,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Celastrus orbiculatus,56757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Celastrus'],['Celastrus orbiculatus'],6,3,7.5 22731,721,72,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.36269358,ISDB,WBWMANUPDBBHGO-YYWYGQEZSA-N,"InChI=1S/C18H37NO5/c20-12-8-10-14(22)9-6-4-2-1-3-5-7-11-15-17(23)18(24)16(13-21)19-15/h14-24H,1-13H2/t14-,15+,16+,17+,18+/m0/s1",OCCC[C@@H](O)CCCCCCCCC[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O,C18H37NO5,,347.267173284,WBWMANUPDBBHGO,Alkaloids,Ornithine alkaloids,Pyrrolidine alkaloids,Broussonetia kazinoki,734176.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Broussonetia'],['Broussonetia kazinoki'],4,0,5.450774312019348 22732,721,72,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.36269358,ISDB,WBWMANUPDBBHGO-UHFFFAOYSA-N,"InChI=1S/C18H37NO5/c20-12-8-10-14(22)9-6-4-2-1-3-5-7-11-15-17(23)18(24)16(13-21)19-15/h14-24H,1-13H2",OCCCC(O)CCCCCCCCCC1NC(CO)C(O)C1O,C18H37NO5,,347.267173284,WBWMANUPDBBHGO,Alkaloids,Ornithine alkaloids,Pyrrolidine alkaloids,Broussonetia papyrifera,311274.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Broussonetia'],['Broussonetia papyrifera'],4,0,5.450774312019348 22720,720,873,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,0.6750192,ISDB,FXVRSKPFWVYCPN-UHFFFAOYSA-N,"InChI=1S/C12H8O6/c13-6-2-1-4-8-5(12(17)18-11(4)6)3-7(14)9(15)10(8)16/h3,14-16H,1-2H2",O=C1CCc2c1oc(=O)c1cc(O)c(O)c(O)c21,C12H8O6,,248.032087976,FXVRSKPFWVYCPN,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Punica granatum,646814.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Lythraceae'],['Unknown'],['Punica'],['Punica granatum'],4,3,8.200076818466187 22721,720,873,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,0.6750192,ISDB,FXVRSKPFWVYCPN-UHFFFAOYSA-N,"InChI=1S/C12H8O6/c13-6-2-1-4-8-5(12(17)18-11(4)6)3-7(14)9(15)10(8)16/h3,14-16H,1-2H2",O=C1CCc2c1oc(=O)c1cc(O)c(O)c(O)c21,C12H8O6,,248.032087976,FXVRSKPFWVYCPN,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Canarium album,146994.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Burseraceae'],['Unknown'],['Canarium'],['Canarium album'],4,3,8.200076818466187 22722,720,873,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,0.6750192,ISDB,FXVRSKPFWVYCPN-UHFFFAOYSA-N,"InChI=1S/C12H8O6/c13-6-2-1-4-8-5(12(17)18-11(4)6)3-7(14)9(15)10(8)16/h3,14-16H,1-2H2",O=C1CCc2c1oc(=O)c1cc(O)c(O)c(O)c21,C12H8O6,,248.032087976,FXVRSKPFWVYCPN,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Euphorbia,109494.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Unknown'],4,3,8.200076818466187 22701,719,-1,,,,0.61692846,ISDB,NDGSLRUFUIEVLM-HDWLWNEUSA-N,"InChI=1S/C35H40O11/c1-20-17-27(44-31(39)24-13-9-7-10-14-24)30(43-23(4)38)34(19-41-21(2)36)28(45-32(40)25-15-11-8-12-16-25)18-26-29(42-22(3)37)35(20,34)46-33(26,5)6/h7-16,20,26-30H,17-19H2,1-6H3/t20-,26-,27+,28+,29-,30+,34-,35-/m1/s1",CC(=O)OC[C@]12[C@@H](OC(=O)c3ccccc3)C[C@@H]3[C@@H](OC(C)=O)[C@]1(OC3(C)C)[C@H](C)C[C@H](OC(=O)c1ccccc1)[C@@H]2OC(C)=O,C35H40O11,,636.2570620999999,NDGSLRUFUIEVLM,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Celastrus orbiculatus,56757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Celastrus'],['Celastrus orbiculatus'],6,0,8.467713832855225 22696,716,-1,,,,0.0,MS1_match,HRJAUSFIYSBLLI-VODSTRMTSA-N,"InChI=1S/C35H40O10/c1-21(36)41-26-20-33(5,40)35-29(42-22(2)37)25(32(3,4)45-35)19-27(43-31(39)24-15-11-8-12-16-24)34(35,6)30(26)44-28(38)18-17-23-13-9-7-10-14-23/h7-18,25-27,29-30,40H,19-20H2,1-6H3/b18-17+/t25-,26+,27+,29-,30+,33+,34-,35+/m1/s1",CC(=O)O[C@H]1C[C@](C)(O)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)c4ccccc4)[C@]2(C)[C@H]1OC(=O)/C=C/c1ccccc1)[C@H]3OC(C)=O,C35H40O10,pos_1_sodium,620.26214748,HRJAUSFIYSBLLI,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Euonymus carnosus,514583.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus carnosus'],7,0,7.0 22697,716,-1,,,,0.0,MS1_match,RACYNKLBFZMILD-UHFFFAOYSA-N,"InChI=1S/C35H40O10/c1-22(36)41-21-34-28(43-29(38)17-16-24-12-8-6-9-13-24)18-26-19-35(34,45-32(26,3)4)33(5,40)20-27(42-23(2)37)30(34)44-31(39)25-14-10-7-11-15-25/h6-17,26-28,30,40H,18-21H2,1-5H3",CC(=O)OCC12C(OC(=O)C=Cc3ccccc3)CC3CC1(OC3(C)C)C(C)(O)CC(OC(C)=O)C2OC(=O)c1ccccc1,C35H40O10,pos_1_sodium,620.26214748,RACYNKLBFZMILD,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Euonymus nanoides,5513354.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus nanoides'],7,0,7.0 22694,713,627,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,BMRSEYFENKXDIS-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O8,pos_1_sodium,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 22695,713,627,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,BMRSEYFENKXDIS-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O8,pos_1_sodium,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 22692,701,82,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.0,MS1_match,MLIXRKUBDYCIFK-HQJQHLMTSA-N,"InChI=1S/C11H14O3/c1-7-4-3-5-8-10(13)14-9(12)6-11(7,8)2/h5,7H,3-4,6H2,1-2H3/t7-,11+/m1/s1",C[C@@H]1CCC=C2C(=O)OC(=O)C[C@]21C,C11H14O3,pos_1_1sodium1acetonitrile,194.094294308,MLIXRKUBDYCIFK,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Nardostachys jatamansi,24101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Nardostachys'],['Nardostachys jatamansi'],6,0,6.0 22693,701,82,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.0,MS1_match,UYGYXBOUYJLANA-CCXSFMJYSA-N,"InChI=1S/C11H14O3/c1-6-4-7(12)5-8-9(13)2-3-10(14)11(6)8/h2-3,5-7,10-12,14H,4H2,1H3/t6-,7-,10-,11+/m1/s1",C[C@@H]1C[C@@H](O)C=C2C(=O)C=C[C@@H](O)[C@H]21,C11H14O3,pos_1_1sodium1acetonitrile,194.094294308,UYGYXBOUYJLANA,Terpenoids,,,Nardostachys jatamansi,24101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Nardostachys'],['Nardostachys jatamansi'],6,0,6.0 22677,700,-1,,,,0.3079383,ISDB,XRKBRPFTFKKHEF-DGDBGZAXSA-N,"InChI=1S/C17H22O10/c1-24-9-5-8(6-10(25-2)13(9)20)3-4-12(19)27-17-16(23)15(22)14(21)11(7-18)26-17/h3-6,11,14-18,20-23H,7H2,1-2H3/b4-3+/t11-,14-,15+,16-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,C17H22O10,,386.1212969039999,XRKBRPFTFKKHEF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],4,0,5.23175323009491 22678,700,-1,,,,0.3079383,ISDB,XRKBRPFTFKKHEF-DGDBGZAXSA-N,"InChI=1S/C17H22O10/c1-24-9-5-8(6-10(25-2)13(9)20)3-4-12(19)27-17-16(23)15(22)14(21)11(7-18)26-17/h3-6,11,14-18,20-23H,7H2,1-2H3/b4-3+/t11-,14-,15+,16-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,C17H22O10,,386.1212969039999,XRKBRPFTFKKHEF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Phaseolus vulgaris,825707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Phaseolus'],['Phaseolus vulgaris'],4,0,5.23175323009491 22679,700,-1,,,,0.3079383,ISDB,XRKBRPFTFKKHEF-DGDBGZAXSA-N,"InChI=1S/C17H22O10/c1-24-9-5-8(6-10(25-2)13(9)20)3-4-12(19)27-17-16(23)15(22)14(21)11(7-18)26-17/h3-6,11,14-18,20-23H,7H2,1-2H3/b4-3+/t11-,14-,15+,16-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,C17H22O10,,386.1212969039999,XRKBRPFTFKKHEF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Rorippa indica,341724.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Cardamineae'],['Rorippa'],['Rorippa indica'],4,0,5.23175323009491 22680,700,-1,,,,0.3079383,ISDB,XRKBRPFTFKKHEF-DGDBGZAXSA-N,"InChI=1S/C17H22O10/c1-24-9-5-8(6-10(25-2)13(9)20)3-4-12(19)27-17-16(23)15(22)14(21)11(7-18)26-17/h3-6,11,14-18,20-23H,7H2,1-2H3/b4-3+/t11-,14-,15+,16-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,C17H22O10,,386.1212969039999,XRKBRPFTFKKHEF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],4,0,5.23175323009491 22681,700,-1,,,,0.3079383,ISDB,XRKBRPFTFKKHEF-DGDBGZAXSA-N,"InChI=1S/C17H22O10/c1-24-9-5-8(6-10(25-2)13(9)20)3-4-12(19)27-17-16(23)15(22)14(21)11(7-18)26-17/h3-6,11,14-18,20-23H,7H2,1-2H3/b4-3+/t11-,14-,15+,16-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,C17H22O10,,386.1212969039999,XRKBRPFTFKKHEF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Brassica napus,309234.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica napus'],4,0,5.23175323009491 22682,700,-1,,,,0.3079383,ISDB,XRKBRPFTFKKHEF-DGDBGZAXSA-N,"InChI=1S/C17H22O10/c1-24-9-5-8(6-10(25-2)13(9)20)3-4-12(19)27-17-16(23)15(22)14(21)11(7-18)26-17/h3-6,11,14-18,20-23H,7H2,1-2H3/b4-3+/t11-,14-,15+,16-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,C17H22O10,,386.1212969039999,XRKBRPFTFKKHEF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Raphanus sativus,359073.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Raphanus'],['Raphanus sativus'],4,0,5.23175323009491 22683,700,-1,,,,0.3079383,ISDB,XRKBRPFTFKKHEF-DGDBGZAXSA-N,"InChI=1S/C17H22O10/c1-24-9-5-8(6-10(25-2)13(9)20)3-4-12(19)27-17-16(23)15(22)14(21)11(7-18)26-17/h3-6,11,14-18,20-23H,7H2,1-2H3/b4-3+/t11-,14-,15+,16-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,C17H22O10,,386.1212969039999,XRKBRPFTFKKHEF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Raphanus raphanistrum,376999.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Raphanus'],['Raphanus raphanistrum'],4,0,5.23175323009491 22684,700,-1,,,,0.3079383,ISDB,XRKBRPFTFKKHEF-DGDBGZAXSA-N,"InChI=1S/C17H22O10/c1-24-9-5-8(6-10(25-2)13(9)20)3-4-12(19)27-17-16(23)15(22)14(21)11(7-18)26-17/h3-6,11,14-18,20-23H,7H2,1-2H3/b4-3+/t11-,14-,15+,16-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,C17H22O10,,386.1212969039999,XRKBRPFTFKKHEF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Bunias orientalis,19452.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Buniadeae'],['Bunias'],['Bunias orientalis'],4,0,5.23175323009491 22685,700,-1,,,,0.3079383,ISDB,XRKBRPFTFKKHEF-DGDBGZAXSA-N,"InChI=1S/C17H22O10/c1-24-9-5-8(6-10(25-2)13(9)20)3-4-12(19)27-17-16(23)15(22)14(21)11(7-18)26-17/h3-6,11,14-18,20-23H,7H2,1-2H3/b4-3+/t11-,14-,15+,16-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,C17H22O10,,386.1212969039999,XRKBRPFTFKKHEF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Rheum rhaponticum,287577.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Polygonaceae'],['Rumiceae'],['Rheum'],['Rheum rhaponticum'],4,0,5.23175323009491 22686,700,-1,,,,0.3079383,ISDB,XRKBRPFTFKKHEF-DGDBGZAXSA-N,"InChI=1S/C17H22O10/c1-24-9-5-8(6-10(25-2)13(9)20)3-4-12(19)27-17-16(23)15(22)14(21)11(7-18)26-17/h3-6,11,14-18,20-23H,7H2,1-2H3/b4-3+/t11-,14-,15+,16-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,C17H22O10,,386.1212969039999,XRKBRPFTFKKHEF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Rheum rhabarbarum,693832.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Polygonaceae'],['Rumiceae'],['Rheum'],['Rheum rhabarbarum'],4,0,5.23175323009491 22687,700,-1,,,,0.3079383,ISDB,XRKBRPFTFKKHEF-DGDBGZAXSA-N,"InChI=1S/C17H22O10/c1-24-9-5-8(6-10(25-2)13(9)20)3-4-12(19)27-17-16(23)15(22)14(21)11(7-18)26-17/h3-6,11,14-18,20-23H,7H2,1-2H3/b4-3+/t11-,14-,15+,16-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,C17H22O10,,386.1212969039999,XRKBRPFTFKKHEF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Adonis aleppica,6130911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Adonideae'],['Adonis'],['Adonis aleppica'],4,0,5.23175323009491 22688,700,-1,,,,0.3079383,ISDB,XRKBRPFTFKKHEF-DGDBGZAXSA-N,"InChI=1S/C17H22O10/c1-24-9-5-8(6-10(25-2)13(9)20)3-4-12(19)27-17-16(23)15(22)14(21)11(7-18)26-17/h3-6,11,14-18,20-23H,7H2,1-2H3/b4-3+/t11-,14-,15+,16-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,C17H22O10,,386.1212969039999,XRKBRPFTFKKHEF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Swertia japonica,774409.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Gentianaceae'],['Gentianeae'],['Swertia'],['Swertia japonica'],4,0,5.23175323009491 22671,697,200,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.71412975,ISDB,SPJFYYJXNPEZDW-FTJOPAKQSA-N,"InChI=1S/C26H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h9-10,12-13,25,28H,5-8,11,14-24H2,1-4H3/b10-9-,13-12-/t25-/m1/s1",CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C,C26H50NO7P,,519.3324895699999,SPJFYYJXNPEZDW,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Vitis vinifera,756728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Vitales'],['Vitaceae'],['Viteae'],['Vitis'],['Vitis vinifera'],4,3,8.356518983840942 22672,697,200,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.71412975,ISDB,SPJFYYJXNPEZDW-UHFFFAOYSA-N,"InChI=1S/C26H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h9-10,12-13,25,28H,5-8,11,14-24H2,1-4H3",CCCCCC=CCC=CCCCCCCCC(=O)OCC(O)COP(=O)([O-])OCC[N+](C)(C)C,C26H50NO7P,,519.3324895699999,SPJFYYJXNPEZDW,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],4,3,8.356518983840942 22658,696,648,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MTGTYFYLZVUKQG-ZUVWSUMTSA-N,"InChI=1S/C20H18O10/c21-13-5-1-12(2-6-13)10-20(29,19(27)28)17(18(25)26)30-16(24)8-4-11-3-7-14(22)15(23)9-11/h1-9,17,21-23,29H,10H2,(H,25,26)(H,27,28)/b8-4+/t17-,20-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](C(=O)O)[C@](O)(Cc1ccc(O)cc1)C(=O)O,C20H18O10,pos_1_1proton,418.0899967759999,MTGTYFYLZVUKQG,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Actaea racemosa,512702.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea racemosa'],6,3,7.5 22659,696,648,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MTGTYFYLZVUKQG-ZUVWSUMTSA-N,"InChI=1S/C20H18O10/c21-13-5-1-12(2-6-13)10-20(29,19(27)28)17(18(25)26)30-16(24)8-4-11-3-7-14(22)15(23)9-11/h1-9,17,21-23,29H,10H2,(H,25,26)(H,27,28)/b8-4+/t17-,20-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](C(=O)O)[C@](O)(Cc1ccc(O)cc1)C(=O)O,C20H18O10,pos_1_1proton,418.0899967759999,MTGTYFYLZVUKQG,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Actaea dahurica,462227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea dahurica'],6,3,7.5 22660,696,648,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MTGTYFYLZVUKQG-ZUVWSUMTSA-N,"InChI=1S/C20H18O10/c21-13-5-1-12(2-6-13)10-20(29,19(27)28)17(18(25)26)30-16(24)8-4-11-3-7-14(22)15(23)9-11/h1-9,17,21-23,29H,10H2,(H,25,26)(H,27,28)/b8-4+/t17-,20-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](C(=O)O)[C@](O)(Cc1ccc(O)cc1)C(=O)O,C20H18O10,pos_1_1proton,418.0899967759999,MTGTYFYLZVUKQG,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Actaea simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],6,3,7.5 22661,696,648,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MTGTYFYLZVUKQG-ZUVWSUMTSA-N,"InChI=1S/C20H18O10/c21-13-5-1-12(2-6-13)10-20(29,19(27)28)17(18(25)26)30-16(24)8-4-11-3-7-14(22)15(23)9-11/h1-9,17,21-23,29H,10H2,(H,25,26)(H,27,28)/b8-4+/t17-,20-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](C(=O)O)[C@](O)(Cc1ccc(O)cc1)C(=O)O,C20H18O10,pos_1_1proton,418.0899967759999,MTGTYFYLZVUKQG,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cimicifuga simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],6,3,7.5 22662,696,648,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NIDSBIYSGNHVDL-UHFFFAOYSA-N,"InChI=1S/C20H18O10/c21-13-5-1-11(2-6-13)4-8-16(24)30-17(18(25)26)20(29,19(27)28)10-12-3-7-14(22)15(23)9-12/h1-9,17,21-23,29H,10H2,(H,25,26)(H,27,28)",O=C(C=Cc1ccc(O)cc1)OC(C(=O)O)C(O)(Cc1ccc(O)c(O)c1)C(=O)O,C20H18O10,pos_1_1proton,418.089996776,NIDSBIYSGNHVDL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Actaea dahurica,462227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea dahurica'],6,3,7.5 22663,696,648,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NIDSBIYSGNHVDL-ZUVWSUMTSA-N,"InChI=1S/C20H18O10/c21-13-5-1-11(2-6-13)4-8-16(24)30-17(18(25)26)20(29,19(27)28)10-12-3-7-14(22)15(23)9-12/h1-9,17,21-23,29H,10H2,(H,25,26)(H,27,28)/b8-4+/t17-,20-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H](C(=O)O)[C@](O)(Cc1ccc(O)c(O)c1)C(=O)O,C20H18O10,pos_1_1proton,418.089996776,NIDSBIYSGNHVDL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Actaea heracleifolia,988745.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea heracleifolia'],6,3,7.5 22664,696,648,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NIDSBIYSGNHVDL-ZUVWSUMTSA-N,"InChI=1S/C20H18O10/c21-13-5-1-11(2-6-13)4-8-16(24)30-17(18(25)26)20(29,19(27)28)10-12-3-7-14(22)15(23)9-12/h1-9,17,21-23,29H,10H2,(H,25,26)(H,27,28)/b8-4+/t17-,20-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H](C(=O)O)[C@](O)(Cc1ccc(O)c(O)c1)C(=O)O,C20H18O10,pos_1_1proton,418.089996776,NIDSBIYSGNHVDL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Actaea simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],6,3,7.5 22665,696,648,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NIDSBIYSGNHVDL-ZUVWSUMTSA-N,"InChI=1S/C20H18O10/c21-13-5-1-11(2-6-13)4-8-16(24)30-17(18(25)26)20(29,19(27)28)10-12-3-7-14(22)15(23)9-12/h1-9,17,21-23,29H,10H2,(H,25,26)(H,27,28)/b8-4+/t17-,20-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H](C(=O)O)[C@](O)(Cc1ccc(O)c(O)c1)C(=O)O,C20H18O10,pos_1_1proton,418.089996776,NIDSBIYSGNHVDL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Actaea cimicifuga,988720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea cimicifuga'],6,3,7.5 22666,696,648,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NIDSBIYSGNHVDL-ZUVWSUMTSA-N,"InChI=1S/C20H18O10/c21-13-5-1-11(2-6-13)4-8-16(24)30-17(18(25)26)20(29,19(27)28)10-12-3-7-14(22)15(23)9-12/h1-9,17,21-23,29H,10H2,(H,25,26)(H,27,28)/b8-4+/t17-,20-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H](C(=O)O)[C@](O)(Cc1ccc(O)c(O)c1)C(=O)O,C20H18O10,pos_1_1proton,418.089996776,NIDSBIYSGNHVDL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Actaea elata,988729.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea elata'],6,3,7.5 22667,696,648,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NIDSBIYSGNHVDL-ZUVWSUMTSA-N,"InChI=1S/C20H18O10/c21-13-5-1-11(2-6-13)4-8-16(24)30-17(18(25)26)20(29,19(27)28)10-12-3-7-14(22)15(23)9-12/h1-9,17,21-23,29H,10H2,(H,25,26)(H,27,28)/b8-4+/t17-,20-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H](C(=O)O)[C@](O)(Cc1ccc(O)c(O)c1)C(=O)O,C20H18O10,pos_1_1proton,418.089996776,NIDSBIYSGNHVDL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Actaea japonica,988749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea japonica'],6,3,7.5 22668,696,648,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NIDSBIYSGNHVDL-ZUVWSUMTSA-N,"InChI=1S/C20H18O10/c21-13-5-1-11(2-6-13)4-8-16(24)30-17(18(25)26)20(29,19(27)28)10-12-3-7-14(22)15(23)9-12/h1-9,17,21-23,29H,10H2,(H,25,26)(H,27,28)/b8-4+/t17-,20-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H](C(=O)O)[C@](O)(Cc1ccc(O)c(O)c1)C(=O)O,C20H18O10,pos_1_1proton,418.089996776,NIDSBIYSGNHVDL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cimicifuga simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],6,3,7.5 22654,694,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,BMRSEYFENKXDIS-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O8,pos_1_1proton1ammonium,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 22655,694,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,BMRSEYFENKXDIS-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O8,pos_1_1proton1ammonium,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 22651,690,73,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.35956147,ISDB,LGADBFMTBLRZEN-CYMJGCRDSA-N,"InChI=1S/C41H64O11/c1-22-31(44)32(45)33(46)34(50-22)52-30-19-29(51-24(3)43)38(6,21-49-23(2)42)27-13-14-40(8)28(41(27,30)9)12-11-25-26-20-37(5,35(47)48-10)16-15-36(26,4)17-18-39(25,40)7/h11,22,26-34,44-46H,12-21H2,1-10H3/t22-,26+,27-,28-,29-,30-,31-,32+,33+,34-,36+,37+,38-,39+,40+,41-/m0/s1",COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)[C@@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)C[C@H](OC(C)=O)[C@@](C)(COC(C)=O)[C@@H]5CC[C@]43C)[C@H]2C1,C41H64O11,,732.4448628680001,LGADBFMTBLRZEN,Terpenoids,Triterpenoids,Oleanane triterpenoids,Combretum sundaicum,6119944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Combretaceae'],['Unknown'],['Combretum'],['Combretum sundaicum'],4,3,6.938245892524719 22609,689,-1,,,,0.0,MS1_match,VSJGJMKGNMDJCI-ZASXJUAOSA-N,"InChI=1S/C16H22O9/c1-2-7-8-3-4-22-14(21)9(8)6-23-15(7)25-16-13(20)12(19)11(18)10(5-17)24-16/h2,6-8,10-13,15-20H,1,3-5H2/t7-,8+,10-,11-,12+,13-,15+,16+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCC[C@H]21,C16H22O9,pos_1_1proton1acetonitrile,358.126382284,VSJGJMKGNMDJCI,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera quinquelocularis,118025.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera quinquelocularis'],7,0,7.0 22610,689,-1,,,,0.0,MS1_match,CPYDMLXRLHYXSV-UNKAVFLYSA-N,"InChI=1S/C18H22O9/c1-25-13-7-10(3-5-11(13)19)4-6-15(21)27-14-9-18(24,17(23)26-2)8-12(20)16(14)22/h3-7,12,14,16,19-20,22,24H,8-9H2,1-2H3/b6-4+/t12-,14-,16-,18+/m0/s1",COC(=O)[C@]1(O)C[C@H](OC(=O)/C=C/c2ccc(O)c(OC)c2)[C@@H](O)[C@@H](O)C1,C18H22O9,pos_1_1proton1ammonium,382.126382284,CPYDMLXRLHYXSV,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera bournei,5746380.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera bournei'],7,0,7.0 22611,689,-1,,,,0.0,MS1_match,HPJJCRNQEWRFQW-ILXVDBEPSA-N,"InChI=1S/C18H22O9/c1-2-26-17(24)18(25)8-13(21)16(14(22)9-18)27-15(23)6-4-10-3-5-11(19)12(20)7-10/h3-7,13-14,16,19-22,25H,2,8-9H2,1H3/t13-,14-,16-,18+/m0/s1",CCOC(=O)[C@]1(O)C[C@H](O)[C@@H](OC(=O)C=Cc2ccc(O)c(O)c2)[C@@H](O)C1,C18H22O9,pos_1_1proton1ammonium,382.126382284,HPJJCRNQEWRFQW,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera bournei,5746380.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera bournei'],7,0,7.0 22612,689,-1,,,,0.0,MS1_match,VSJGJMKGNMDJCI-ZASXJUAOSA-N,"InChI=1S/C16H22O9/c1-2-7-8-3-4-22-14(21)9(8)6-23-15(7)25-16-13(20)12(19)11(18)10(5-17)24-16/h2,6-8,10-13,15-20H,1,3-5H2/t7-,8+,10-,11-,12+,13-,15+,16+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCC[C@H]21,C16H22O9,pos_1_1proton1acetonitrile,358.126382284,VSJGJMKGNMDJCI,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera morrowii,484242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],7,0,7.0 22613,689,-1,,,,0.0,MS1_match,VSJGJMKGNMDJCI-ZASXJUAOSA-N,"InChI=1S/C16H22O9/c1-2-7-8-3-4-22-14(21)9(8)6-23-15(7)25-16-13(20)12(19)11(18)10(5-17)24-16/h2,6-8,10-13,15-20H,1,3-5H2/t7-,8+,10-,11-,12+,13-,15+,16+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCC[C@H]21,C16H22O9,pos_1_1proton1acetonitrile,358.126382284,VSJGJMKGNMDJCI,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera angustifolia,6061340.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera angustifolia'],7,0,7.0 22614,689,-1,,,,0.0,MS1_match,VSJGJMKGNMDJCI-ZASXJUAOSA-N,"InChI=1S/C16H22O9/c1-2-7-8-3-4-22-14(21)9(8)6-23-15(7)25-16-13(20)12(19)11(18)10(5-17)24-16/h2,6-8,10-13,15-20H,1,3-5H2/t7-,8+,10-,11-,12+,13-,15+,16+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCC[C@H]21,C16H22O9,pos_1_1proton1acetonitrile,358.126382284,VSJGJMKGNMDJCI,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 22615,689,-1,,,,0.0,MS1_match,VSJGJMKGNMDJCI-ZASXJUAOSA-N,"InChI=1S/C16H22O9/c1-2-7-8-3-4-22-14(21)9(8)6-23-15(7)25-16-13(20)12(19)11(18)10(5-17)24-16/h2,6-8,10-13,15-20H,1,3-5H2/t7-,8+,10-,11-,12+,13-,15+,16+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCC[C@H]21,C16H22O9,pos_1_1proton1acetonitrile,358.126382284,VSJGJMKGNMDJCI,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],7,0,7.0 22616,689,-1,,,,0.0,MS1_match,LEUHYTKFUDEERH-NBJMIBJLSA-N,"InChI=1S/C18H22O9/c1-2-26-17(24)18(25)8-13(21)16(23)14(9-18)27-15(22)6-4-10-3-5-11(19)12(20)7-10/h3-7,13-14,16,19-21,23,25H,2,8-9H2,1H3/b6-4+/t13-,14-,16-,18+/m0/s1",CCOC(=O)[C@]1(O)C[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](O)[C@@H](O)C1,C18H22O9,pos_1_1proton1ammonium,382.126382284,LEUHYTKFUDEERH,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera bournei,5746380.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera bournei'],7,0,7.0 22617,689,-1,,,,0.0,MS1_match,VSJGJMKGNMDJCI-ZASXJUAOSA-N,"InChI=1S/C16H22O9/c1-2-7-8-3-4-22-14(21)9(8)6-23-15(7)25-16-13(20)12(19)11(18)10(5-17)24-16/h2,6-8,10-13,15-20H,1,3-5H2/t7-,8+,10-,11-,12+,13-,15+,16+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCC[C@H]21,C16H22O9,pos_1_1proton1acetonitrile,358.126382284,VSJGJMKGNMDJCI,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera quinquelocularis,118025.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera quinquelocularis'],7,0,7.0 22618,689,-1,,,,0.0,MS1_match,VSJGJMKGNMDJCI-ZASXJUAOSA-N,"InChI=1S/C16H22O9/c1-2-7-8-3-4-22-14(21)9(8)6-23-15(7)25-16-13(20)12(19)11(18)10(5-17)24-16/h2,6-8,10-13,15-20H,1,3-5H2/t7-,8+,10-,11-,12+,13-,15+,16+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCC[C@H]21,C16H22O9,pos_1_1proton1acetonitrile,358.126382284,VSJGJMKGNMDJCI,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera morrowii,484242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],7,0,7.0 22619,689,-1,,,,0.0,MS1_match,VSJGJMKGNMDJCI-ZASXJUAOSA-N,"InChI=1S/C16H22O9/c1-2-7-8-3-4-22-14(21)9(8)6-23-15(7)25-16-13(20)12(19)11(18)10(5-17)24-16/h2,6-8,10-13,15-20H,1,3-5H2/t7-,8+,10-,11-,12+,13-,15+,16+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCC[C@H]21,C16H22O9,pos_1_1proton1acetonitrile,358.126382284,VSJGJMKGNMDJCI,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera angustifolia,6061340.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera angustifolia'],7,0,7.0 22620,689,-1,,,,0.0,MS1_match,LEUHYTKFUDEERH-NBJMIBJLSA-N,"InChI=1S/C18H22O9/c1-2-26-17(24)18(25)8-13(21)16(23)14(9-18)27-15(22)6-4-10-3-5-11(19)12(20)7-10/h3-7,13-14,16,19-21,23,25H,2,8-9H2,1H3/b6-4+/t13-,14-,16-,18+/m0/s1",CCOC(=O)[C@]1(O)C[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](O)[C@@H](O)C1,C18H22O9,pos_1_1proton1ammonium,382.126382284,LEUHYTKFUDEERH,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera bournei,5746380.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera bournei'],7,0,7.0 22621,689,-1,,,,0.0,MS1_match,VSJGJMKGNMDJCI-ZASXJUAOSA-N,"InChI=1S/C16H22O9/c1-2-7-8-3-4-22-14(21)9(8)6-23-15(7)25-16-13(20)12(19)11(18)10(5-17)24-16/h2,6-8,10-13,15-20H,1,3-5H2/t7-,8+,10-,11-,12+,13-,15+,16+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCC[C@H]21,C16H22O9,pos_1_1proton1acetonitrile,358.126382284,VSJGJMKGNMDJCI,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],7,0,7.0 22622,689,-1,,,,0.0,MS1_match,VSJGJMKGNMDJCI-ZASXJUAOSA-N,"InChI=1S/C16H22O9/c1-2-7-8-3-4-22-14(21)9(8)6-23-15(7)25-16-13(20)12(19)11(18)10(5-17)24-16/h2,6-8,10-13,15-20H,1,3-5H2/t7-,8+,10-,11-,12+,13-,15+,16+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCC[C@H]21,C16H22O9,pos_1_1proton1acetonitrile,358.126382284,VSJGJMKGNMDJCI,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 22607,688,-1,,,,0.0,MS1_match,DSNCQKUYZOSARM-QVLXMGEUSA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(22-10)23-11(18)6-3-8-1-4-9(17)5-2-8/h1-6,10,12-17,19-21H,7H2/b6-3+/t10-,12-,13+,14-,15+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O8,pos_1_1potassium,326.1001675359999,DSNCQKUYZOSARM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Salacia chinensis,380833.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Salacia'],['Salacia chinensis'],6,0,6.0 22608,688,-1,,,,0.0,MS1_match,DSNCQKUYZOSARM-QVLXMGEUSA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(22-10)23-11(18)6-3-8-1-4-9(17)5-2-8/h1-6,10,12-17,19-21H,7H2/b6-3+/t10-,12-,13+,14-,15+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O8,pos_1_1potassium,326.1001675359999,DSNCQKUYZOSARM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Salacia chinensis,380833.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Salacia'],['Salacia chinensis'],6,0,6.0 22587,685,72,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.0,MS1_match,IPCSVZSSVZVIGE-UHFFFAOYSA-N,"InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)",CCCCCCCCCCCCCCCC(=O)O,C16H32O2,pos_2MHCH3CN,256.240230264,IPCSVZSSVZVIGE,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Clematis vitalba,756499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis vitalba'],8,1,8.5 22276,683,374,Terpenoids,Steroids,Cholestane steroids,0.29922482,ISDB,IWNCBADONFSAAW-NFVQQQKOSA-N,"InChI=1S/C29H48O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-17-27(31)26-16-21(30)12-14-29(26,6)25(22)13-15-28(23,24)5/h16,18-20,22-25,27,31H,7-15,17H2,1-6H3/t19-,20-,22+,23-,24+,25+,27-,28-,29-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C29H48O2,,428.365430776,IWNCBADONFSAAW,Terpenoids,Steroids,Stigmastane steroids,Patrinia rupestris,1035977.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia rupestris'],6,2,8.19689929485321 22273,682,228,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,NRWUTPXRYNUSMI-XOLXQSKQSA-N,"InChI=1S/C17H30O9/c1-7-8-4-11(19)17(2,9(8)6-24-15(7)23-3)26-16-14(22)13(21)12(20)10(5-18)25-16/h7-16,18-22H,4-6H2,1-3H3/t7-,8-,9+,10-,11-,12-,13+,14-,15-,16+,17+/m1/s1",CO[C@@H]1OC[C@H]2[C@H](C[C@@H](O)[C@@]2(C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1C,C17H30O9,pos_1_1proton1acetonitrile,378.18898254,NRWUTPXRYNUSMI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia scabra,68239.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia scabra'],6,2,7.0 22209,680,94,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.7919946,ISDB,ZCCLDKGWJIREQF-PDBXOOCHSA-N,"InChI=1S/C21H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23/h3-4,6-7,9-10,20,22-23H,2,5,8,11-19H2,1H3/b4-3-,7-6-,10-9-",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC(CO)CO,C21H36O4,,352.261359632,ZCCLDKGWJIREQF,Fatty acids,Glycerolipids,Monoacylglycerols,Halimodendron halodendron,761641.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Caraganeae'],['Halimodendron'],['Halimodendron halodendron'],4,1,7.667978286743164 22196,678,146,Carbohydrates,Saccharides,Disaccharides,0.35147294,ISDB,JPLATTLXZFUKRQ-UVMZSPEXSA-N,"InChI=1S/C12H20O10/c13-1-4(15)10-11(5(16)3-20-10)22-12-9(19)8(18)7(17)6(2-14)21-12/h1,4-12,14-19H,2-3H2/t4-,5+,6+,7-,8-,9+,10+,11-,12-/m0/s1",O=C[C@H](O)[C@H]1OC[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C12H20O10,,324.10564684,JPLATTLXZFUKRQ,Carbohydrates,Saccharides,Disaccharides,Chondrus ocellatus,372375.0,['Eukaryota'],['Archaeplastida'],['Rhodophyta'],['Florideophycidae'],['Unknown'],['Unknown'],['Unknown'],['Chondrus'],['Chondrus ocellatus'],2,3,4.9058917760849 22197,678,146,Carbohydrates,Saccharides,Disaccharides,0.35147294,ISDB,JPLATTLXZFUKRQ-AWXGPMDLSA-N,"InChI=1S/C12H20O10/c13-1-4(15)10-11(5(16)3-20-10)22-12-9(19)8(18)7(17)6(2-14)21-12/h1,4-12,14-19H,2-3H2/t4-,5+,6-,7+,8+,9-,10+,11-,12+/m1/s1",O=C[C@@H](O)[C@@H]1OC[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C12H20O10,,324.10564684,JPLATTLXZFUKRQ,Carbohydrates,Saccharides,Disaccharides,Gloiopeltis furcata,275661.0,['Eukaryota'],['Archaeplastida'],['Rhodophyta'],['Florideophycidae'],['Unknown'],['Unknown'],['Unknown'],['Gloiopeltis'],['Gloiopeltis furcata'],2,3,4.9058917760849 22198,678,146,Carbohydrates,Saccharides,Disaccharides,0.35147294,ISDB,JPLATTLXZFUKRQ-UHFFFAOYSA-N,"InChI=1S/C12H20O10/c13-1-4(15)10-11(5(16)3-20-10)22-12-9(19)8(18)7(17)6(2-14)21-12/h1,4-12,14-19H,2-3H2",O=CC(O)C1OCC(O)C1OC1OC(CO)C(O)C(O)C1O,C12H20O10,,324.10564684,JPLATTLXZFUKRQ,Carbohydrates,Saccharides,Disaccharides,Pterocladiella tenuis,182322.0,['Eukaryota'],['Archaeplastida'],['Rhodophyta'],['Florideophycidae'],['Unknown'],['Unknown'],['Unknown'],['Pterocladiella'],['Pterocladiella tenuis'],2,3,4.9058917760849 21500,677,94,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.7728935,ISDB,HXQHFNIKBKZGRP-UHFFFAOYSA-N,"InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10,13-14H,2-5,8,11-12,15-17H2,1H3,(H,19,20)",CCCCCC=CCC=CCCC=CCCCC(=O)O,C18H30O2,,278.2245802,HXQHFNIKBKZGRP,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Teucrium cubense,3882648.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Teucrium'],['Teucrium cubense'],4,3,8.59157395362854 21501,677,94,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.7728935,ISDB,HXQHFNIKBKZGRP-UHFFFAOYSA-N,"InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10,13-14H,2-5,8,11-12,15-17H2,1H3,(H,19,20)",CCCCCC=CCC=CCCC=CCCCC(=O)O,C18H30O2,,278.2245802,HXQHFNIKBKZGRP,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Teucrium depressum,3882648.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Teucrium'],['Teucrium cubense'],4,3,8.59157395362854 21493,675,80,Terpenoids,Tryptophan alkaloids,Carbazole alkaloids,0.58372796,ISDB,AHDPKXPJJKSIRA-QTOFBMCISA-N,"InChI=1S/C34H38O10/c1-15(2)10-11-18-25(35)21-26(36)19-14-20(41-9)22-23(28(19)43-29(21)24-27(18)42-17(4)32(24,5)6)33(7,8)44-34(22,31(39)40)13-12-16(3)30(37)38/h10,12,14,17,35H,11,13H2,1-9H3,(H,37,38)(H,39,40)/b16-12+/t17-,34+/m1/s1",COc1cc2c(=O)c3c(O)c(CC=C(C)C)c4c(c3oc2c2c1[C@@](C/C=C(\C)C(=O)O)(C(=O)O)OC2(C)C)C(C)(C)[C@@H](C)O4,C34H38O10,,606.2464974159999,AHDPKXPJJKSIRA,Polyketides,,,Garcinia elliptica,6099695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Clusiaceae'],['Garcinieae'],['Garcinia'],['Garcinia elliptica'],4,0,6.334911823272705 21494,675,80,Terpenoids,Tryptophan alkaloids,Carbazole alkaloids,0.58372796,ISDB,AHDPKXPJJKSIRA-QTOFBMCISA-N,"InChI=1S/C34H38O10/c1-15(2)10-11-18-25(35)21-26(36)19-14-20(41-9)22-23(28(19)43-29(21)24-27(18)42-17(4)32(24,5)6)33(7,8)44-34(22,31(39)40)13-12-16(3)30(37)38/h10,12,14,17,35H,11,13H2,1-9H3,(H,37,38)(H,39,40)/b16-12+/t17-,34+/m1/s1",COc1cc2c(=O)c3c(O)c(CC=C(C)C)c4c(c3oc2c2c1[C@@](C/C=C(\C)C(=O)O)(C(=O)O)OC2(C)C)C(C)(C)[C@@H](C)O4,C34H38O10,,606.2464974159999,AHDPKXPJJKSIRA,Polyketides,,,Garcinia acuminata,311081.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Clusiaceae'],['Garcinieae'],['Garcinia'],['Garcinia acuminata'],4,0,6.334911823272705 21495,675,80,Terpenoids,Tryptophan alkaloids,Carbazole alkaloids,0.58372796,ISDB,AHDPKXPJJKSIRA-QTOFBMCISA-N,"InChI=1S/C34H38O10/c1-15(2)10-11-18-25(35)21-26(36)19-14-20(41-9)22-23(28(19)43-29(21)24-27(18)42-17(4)32(24,5)6)33(7,8)44-34(22,31(39)40)13-12-16(3)30(37)38/h10,12,14,17,35H,11,13H2,1-9H3,(H,37,38)(H,39,40)/b16-12+/t17-,34+/m1/s1",COc1cc2c(=O)c3c(O)c(CC=C(C)C)c4c(c3oc2c2c1[C@@](C/C=C(\C)C(=O)O)(C(=O)O)OC2(C)C)C(C)(C)[C@@H](C)O4,C34H38O10,,606.2464974159999,AHDPKXPJJKSIRA,Polyketides,,,Garcinia scortechinii,149780.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Clusiaceae'],['Garcinieae'],['Garcinia'],['Garcinia scortechinii'],4,0,6.334911823272705 21492,674,-1,,,,0.0,MS1_match,WMEDLAURVXZWQZ-DGUWLTKGSA-N,"InChI=1S/C19H28O2/c1-12-4-3-8-18(2)15(12)7-9-19-10-13(5-6-16(18)19)14(11-19)17(20)21/h13-16H,1,3-11H2,2H3,(H,20,21)/t13-,14+,15-,16+,18-,19+/m1/s1",C=C1CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@@H](C(=O)O)C3,C19H28O2,pos_1_minus1proton2potassium,288.208930136,WMEDLAURVXZWQZ,Terpenoids,Diterpenoids,Norkaurane diterpenoids,Maytenus magellanica,433237.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Maytenus'],['Maytenus magellanica'],6,0,6.0 21488,671,200,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.72362894,ISDB,WKQNRCYKYCKESD-YVHLTTHBSA-N,"InChI=1S/C26H48NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h6-7,9-10,12-13,25,28H,5,8,11,14-24H2,1-4H3/b7-6-,10-9-,13-12-/t25-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C,C26H48NO7P,,517.316839506,WKQNRCYKYCKESD,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Vitis vinifera,756728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Vitales'],['Vitaceae'],['Viteae'],['Vitis'],['Vitis vinifera'],4,3,8.394515752792358 21489,671,200,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.72362894,ISDB,WKQNRCYKYCKESD-UHFFFAOYSA-N,"InChI=1S/C26H48NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h6-7,9-10,12-13,25,28H,5,8,11,14-24H2,1-4H3",CCC=CCC=CCC=CCCCCCCCC(=O)OCC(O)COP(=O)([O-])OCC[N+](C)(C)C,C26H48NO7P,,517.316839506,WKQNRCYKYCKESD,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],4,3,8.394515752792358 21466,670,-1,,,,0.7186629,ISDB,NSXJYXNANXQGCY-JOXVHFRWSA-N,"InChI=1S/C34H40O10/c1-16(2)10-11-20-25(36)23-26(37)21-14-19(35)15-22-32(7,8)44-33(30(40)41-9,13-12-17(3)29(38)39)34(21,22)43-28(23)24-27(20)42-18(4)31(24,5)6/h10,12,14,18,22,36H,11,13,15H2,1-9H3,(H,38,39)/b17-12+/t18-,22+,33+,34-/m0/s1",COC(=O)[C@@]1(C/C=C(\C)C(=O)O)OC(C)(C)[C@H]2CC(=O)C=C3C(=O)c4c(O)c(CC=C(C)C)c5c(c4O[C@@]321)C(C)(C)[C@H](C)O5,C34H40O10,,608.26214748,NSXJYXNANXQGCY,Polyketides,,,Garcinia acuminata,311081.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Clusiaceae'],['Garcinieae'],['Garcinia'],['Garcinia acuminata'],4,0,6.874651670455933 21467,670,-1,,,,0.7186629,ISDB,NSXJYXNANXQGCY-JOXVHFRWSA-N,"InChI=1S/C34H40O10/c1-16(2)10-11-20-25(36)23-26(37)21-14-19(35)15-22-32(7,8)44-33(30(40)41-9,13-12-17(3)29(38)39)34(21,22)43-28(23)24-27(20)42-18(4)31(24,5)6/h10,12,14,18,22,36H,11,13,15H2,1-9H3,(H,38,39)/b17-12+/t18-,22+,33+,34-/m0/s1",COC(=O)[C@@]1(C/C=C(\C)C(=O)O)OC(C)(C)[C@H]2CC(=O)C=C3C(=O)c4c(O)c(CC=C(C)C)c5c(c4O[C@@]321)C(C)(C)[C@H](C)O5,C34H40O10,,608.26214748,NSXJYXNANXQGCY,Polyketides,,,Garcinia scortechinii,149780.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Clusiaceae'],['Garcinieae'],['Garcinia'],['Garcinia scortechinii'],4,0,6.874651670455933 21468,670,-1,,,,0.7186629,ISDB,NSXJYXNANXQGCY-JOXVHFRWSA-N,"InChI=1S/C34H40O10/c1-16(2)10-11-20-25(36)23-26(37)21-14-19(35)15-22-32(7,8)44-33(30(40)41-9,13-12-17(3)29(38)39)34(21,22)43-28(23)24-27(20)42-18(4)31(24,5)6/h10,12,14,18,22,36H,11,13,15H2,1-9H3,(H,38,39)/b17-12+/t18-,22+,33+,34-/m0/s1",COC(=O)[C@@]1(C/C=C(\C)C(=O)O)OC(C)(C)[C@H]2CC(=O)C=C3C(=O)c4c(O)c(CC=C(C)C)c5c(c4O[C@@]321)C(C)(C)[C@H](C)O5,C34H40O10,,608.26214748,NSXJYXNANXQGCY,Polyketides,,,Garcinia elliptica,6099695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Clusiaceae'],['Garcinieae'],['Garcinia'],['Garcinia elliptica'],4,0,6.874651670455933 21465,667,73,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.39332914,ISDB,,,,,,,NSUHFZHIKMSXME,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.5733165740966797 21459,665,126,Shikimates and Phenylpropanoids,Cyclic polyketides,4-pyrone derivatives,0.0,MS1_match,XPCTZQVDEJYUGT-UHFFFAOYSA-N,"InChI=1S/C6H6O3/c1-4-6(8)5(7)2-3-9-4/h2-3,8H,1H3",Cc1occc(=O)c1O,C6H6O3,pos_2MHNH3,126.031694052,XPCTZQVDEJYUGT,Polyketides,Cyclic polyketides,4-pyrone derivatives,Aconitum lethale,6131432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum lethale'],6,3,7.5 21460,665,126,Shikimates and Phenylpropanoids,Cyclic polyketides,4-pyrone derivatives,0.0,MS1_match,XPCTZQVDEJYUGT-UHFFFAOYSA-N,"InChI=1S/C6H6O3/c1-4-6(8)5(7)2-3-9-4/h2-3,8H,1H3",Cc1occc(=O)c1O,C6H6O3,pos_2MHNH3,126.031694052,XPCTZQVDEJYUGT,Polyketides,Cyclic polyketides,4-pyrone derivatives,Aconitum falconeri,6131385.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum falconeri'],6,3,7.5 21410,664,309,Terpenoids,Diterpenoids,Monocyclic monoterpenoids,0.7126825,ISDB,JMDWDRGHOPRHGO-NMCQGECBSA-N,"InChI=1S/C16H28O7/c1-8(2)16(5-4-9(3)6-11(16)18)23-15-14(21)13(20)12(19)10(7-17)22-15/h6,8,10-15,17-21H,4-5,7H2,1-3H3/t10-,11+,12-,13+,14+,15+,16-/m1/s1",CC1=C[C@H](O)[C@](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)(C(C)C)CC1,C16H28O7,,332.183503236,JMDWDRGHOPRHGO,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Origanum syriacum,731839.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Origanum'],['Origanum syriacum'],4,3,8.350729942321777 21396,663,44,Terpenoids,Tryptophan alkaloids,Cinnamic acids and derivatives,0.0,MS1_match,ISDXMFLGMQJRBT-UHFFFAOYSA-N,"InChI=1S/C40H44N2O7/c1-26(2)31-16-17-40(25-46-35(43)21-28-10-6-5-7-11-28)34(48-38(45)30-13-9-19-42-24-30)20-27(3)14-15-33-39(4,49-33)22-32(36(31)40)47-37(44)29-12-8-18-41-23-29/h5-13,18-20,23-24,32-34,36H,14-17,21-22,25H2,1-4H3",CC1=CC(OC(=O)c2cccnc2)C2(COC(=O)Cc3ccccc3)CCC(=C(C)C)C2C(OC(=O)c2cccnc2)CC2(C)OC2CC1,C40H44N2O7,pos_2_2proton,664.314851748,ISDXMFLGMQJRBT,Terpenoids,Diterpenoids,,Nigella sativa,142360.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Nigelleae'],['Nigella'],['Nigella sativa'],6,1,6.5 21397,663,44,Terpenoids,Tryptophan alkaloids,Cinnamic acids and derivatives,0.0,MS1_match,BSEREUYHFDTZAR-CYVCHDHYSA-N,"InChI=1S/C40H44N2O7/c1-26(2)31-17-18-40(25-46-35(43)28-11-7-6-8-12-28)33(47-36(44)29-13-9-19-41-23-29)21-27(3)15-16-32-38(4,49-32)22-34(39(31,40)5)48-37(45)30-14-10-20-42-24-30/h6-14,19-21,23-24,32-34H,15-18,22,25H2,1-5H3/b27-21+/t32-,33-,34+,38-,39+,40-/m0/s1",CC(C)=C1CC[C@]2(COC(=O)c3ccccc3)[C@@H](OC(=O)c3cccnc3)/C=C(\C)CC[C@@H]3O[C@@]3(C)C[C@@H](OC(=O)c3cccnc3)[C@@]12C,C40H44N2O7,pos_2_2proton,664.314851748,BSEREUYHFDTZAR,Terpenoids,Diterpenoids,,Nigella sativa,142360.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Nigelleae'],['Nigella'],['Nigella sativa'],6,1,6.5 21398,663,44,Terpenoids,Tryptophan alkaloids,Cinnamic acids and derivatives,0.0,MS1_match,BSEREUYHFDTZAR-CYVCHDHYSA-N,"InChI=1S/C40H44N2O7/c1-26(2)31-17-18-40(25-46-35(43)28-11-7-6-8-12-28)33(47-36(44)29-13-9-19-41-23-29)21-27(3)15-16-32-38(4,49-32)22-34(39(31,40)5)48-37(45)30-14-10-20-42-24-30/h6-14,19-21,23-24,32-34H,15-18,22,25H2,1-5H3/b27-21+/t32-,33-,34+,38-,39+,40-/m0/s1",CC(C)=C1CC[C@]2(COC(=O)c3ccccc3)[C@@H](OC(=O)c3cccnc3)/C=C(\C)CC[C@@H]3O[C@@]3(C)C[C@@H](OC(=O)c3cccnc3)[C@@]12C,C40H44N2O7,pos_2_2proton,664.314851748,BSEREUYHFDTZAR,Terpenoids,Diterpenoids,,Nigella glandulifera,5737891.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Nigelleae'],['Nigella'],['Nigella glandulifera'],6,1,6.5 21366,661,-1,,,,0.0,MS1_match,VYBREYKSZAROCT-UHFFFAOYSA-N,"InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5H,1-2,4,6-8H2,3H3",C=CC(=C)CCCC(=C)C,C10H16,pos_1_1proton,136.125200512,VYBREYKSZAROCT,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 21367,661,-1,,,,0.0,MS1_match,GRWFGVWFFZKLTI-UHFFFAOYSA-N,"InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3",CC1=CCC2CC1C2(C)C,C10H16,pos_1_1proton,136.125200512,GRWFGVWFFZKLTI,Terpenoids,Monoterpenoids,Pinane monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 21368,661,-1,,,,0.0,MS1_match,NDUIFQPPDDOKRN-UHFFFAOYSA-N,"InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8H,4-6H2,1-3H3",CC1=C2CC(CC1)C2(C)C,C10H16,pos_1_1proton,136.125200512,NDUIFQPPDDOKRN,Terpenoids,Monoterpenoids,Pinane monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 21351,660,290,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.5536521,ISDB,ZFAHFNHITMYOLF-KBHLDNDPSA-N,"InChI=1S/C42H46O23/c1-15-28(49)38(64-41-35(56)33(54)30(51)25(63-41)14-58-26(48)9-3-16-2-8-20(45)21(46)10-16)36(57)42(59-15)60-19-11-22(47)27-23(12-19)61-37(17-4-6-18(44)7-5-17)39(31(27)52)65-40-34(55)32(53)29(50)24(13-43)62-40/h2-12,15,24-25,28-30,32-36,38,40-47,49-51,53-57H,13-14H2,1H3/b9-3+/t15-,24+,25+,28-,29+,30+,32-,33-,34+,35+,36+,38+,40-,41-,42-/m0/s1",C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@H](O[C@@H]2O[C@H](COC(=O)/C=C/c3ccc(O)c(O)c3)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C42H46O23,,918.242987732,ZFAHFNHITMYOLF,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Aconitum napellus,586780.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum napellus'],6,3,9.714608430862427 21346,659,80,Terpenoids,Tryptophan alkaloids,Carbazole alkaloids,0.5921212,ISDB,DOFYAVLOCYRMIV-ULTRRKBWSA-N,"InChI=1S/C36H38N4O6/c1-9-20-16(3)23-13-25-18(5)22(11-12-29(41)45-7)32(39-25)31-33-30(34(42)36(31,44)35(43)46-8)19(6)26(40-33)15-28-21(10-2)17(4)24(38-28)14-27(20)37-23/h9,13-15,18,22,37,40,44H,1,10-12H2,2-8H3/t18-,22-,36-/m0/s1",C=Cc1c(C)c2cc3nc(c4c5[nH]c(cc6nc(cc1[nH]2)C(C)=C6CC)c(C)c5C(=O)[C@]4(O)C(=O)OC)[C@@H](CCC(=O)OC)[C@@H]3C,C36H38N4O6,,622.2791349360001,DOFYAVLOCYRMIV,Alkaloids,Tryptophan alkaloids,Carbazole alkaloids,Clerodendrum calamitosum,6086132.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Clerodendrum'],['Clerodendrum calamitosum'],4,3,7.868484735488892 21338,658,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,PBLWZMSRSJTRHJ-NCIRKIHRSA-N,"InChI=1S/C32H44O16/c1-42-20-8-14(3-5-18(20)45-31-28(40)26(38)24(36)22(11-34)47-31)7-16-13-44-30(17(16)10-33)15-4-6-19(21(9-15)43-2)46-32-29(41)27(39)25(37)23(12-35)48-32/h3-6,8-9,16-17,22-41H,7,10-13H2,1-2H3/t16-,17-,22+,23+,24+,25+,26-,27-,28+,29+,30+,31+,32+/m0/s1",COc1cc(C[C@H]2CO[C@H](c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c3)[C@H]2CO)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C32H44O16,pos_2_2proton2acetonitrile,684.262935328,PBLWZMSRSJTRHJ,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Clematis stans,21283.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis stans'],8,1,8.5 21332,654,211,Terpenoids,Phenylpropanoids (C6-C3),Aristolane sesquiterpenoids,0.0,MS1_match,VDKFCMZNYZMXRF-QYOTWRPRSA-N,"InChI=1S/C30H38O7/c1-26-7-9-29(4)20-12-18(32)23-16(15-31)24(35)19(33)11-17(23)27(20,2)8-10-30(29,5)21(26)13-28(3,22(34)14-26)25(36)37-6/h11,15,20-21,33,35H,7-10,12-14H2,1-6H3/t20?,21-,26+,27+,28+,29-,30+/m1/s1",COC(=O)[C@@]1(C)C[C@@H]2[C@@](C)(CC[C@]3(C)C4CC(=O)c5c(cc(O)c(O)c5C=O)[C@]4(C)CC[C@@]23C)CC1=O,C30H38O7,pos_2_2sodium,510.2617535559999,VDKFCMZNYZMXRF,Terpenoids,Triterpenoids,Friedelane triterpenoids,Maytenus retusa,7631457.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Monteverdia'],['Monteverdia retusa'],6,1,6.5 21333,654,211,Terpenoids,Phenylpropanoids (C6-C3),Aristolane sesquiterpenoids,0.0,MS1_match,VDKFCMZNYZMXRF-QYOTWRPRSA-N,"InChI=1S/C30H38O7/c1-26-7-9-29(4)20-12-18(32)23-16(15-31)24(35)19(33)11-17(23)27(20,2)8-10-30(29,5)21(26)13-28(3,22(34)14-26)25(36)37-6/h11,15,20-21,33,35H,7-10,12-14H2,1-6H3/t20?,21-,26+,27+,28+,29-,30+/m1/s1",COC(=O)[C@@]1(C)C[C@@H]2[C@@](C)(CC[C@]3(C)C4CC(=O)c5c(cc(O)c(O)c5C=O)[C@]4(C)CC[C@@]23C)CC1=O,C30H38O7,pos_2_2sodium,510.2617535559999,VDKFCMZNYZMXRF,Terpenoids,Triterpenoids,Friedelane triterpenoids,Monteverdia retusa,7631457.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Monteverdia'],['Monteverdia retusa'],6,1,6.5 21334,654,211,Terpenoids,Phenylpropanoids (C6-C3),Aristolane sesquiterpenoids,0.0,MS1_match,DXDSZUXZQIKMRQ-GMZGOHOASA-N,"InChI=1S/C30H38O7/c1-26-7-8-27(2,25(36)37-6)15-20(26)30(5)12-10-28(3)16-13-18(32)23(33)22(24(34)35)21(16)17(31)14-19(28)29(30,4)11-9-26/h13-14,20,32-33H,7-12,15H2,1-6H3,(H,34,35)/t20-,26-,27-,28+,29-,30+/m1/s1",COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC(=O)c5c(cc(O)c(O)c5C(=O)O)[C@]4(C)CC[C@@]3(C)[C@@H]2C1,C30H38O7,pos_2_2sodium,510.2617535559998,DXDSZUXZQIKMRQ,Terpenoids,,,Kokoona zeylanica,6092887.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Kokoona'],['Kokoona zeylanica'],6,1,6.5 21335,654,211,Terpenoids,Phenylpropanoids (C6-C3),Aristolane sesquiterpenoids,0.0,MS1_match,DXDSZUXZQIKMRQ-GMZGOHOASA-N,"InChI=1S/C30H38O7/c1-26-7-8-27(2,25(36)37-6)15-20(26)30(5)12-10-28(3)16-13-18(32)23(33)22(24(34)35)21(16)17(31)14-19(28)29(30,4)11-9-26/h13-14,20,32-33H,7-12,15H2,1-6H3,(H,34,35)/t20-,26-,27-,28+,29-,30+/m1/s1",COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC(=O)c5c(cc(O)c(O)c5C(=O)O)[C@]4(C)CC[C@@]3(C)[C@@H]2C1,C30H38O7,pos_2_2sodium,510.2617535559998,DXDSZUXZQIKMRQ,Terpenoids,,,Kokoona reflexa,5750149.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Kokoona'],['Kokoona reflexa'],6,1,6.5 21336,654,211,Terpenoids,Phenylpropanoids (C6-C3),Aristolane sesquiterpenoids,0.0,MS1_match,DXDSZUXZQIKMRQ-GMZGOHOASA-N,"InChI=1S/C30H38O7/c1-26-7-8-27(2,25(36)37-6)15-20(26)30(5)12-10-28(3)16-13-18(32)23(33)22(24(34)35)21(16)17(31)14-19(28)29(30,4)11-9-26/h13-14,20,32-33H,7-12,15H2,1-6H3,(H,34,35)/t20-,26-,27-,28+,29-,30+/m1/s1",COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC(=O)c5c(cc(O)c(O)c5C(=O)O)[C@]4(C)CC[C@@]3(C)[C@@H]2C1,C30H38O7,pos_2_2sodium,510.2617535559998,DXDSZUXZQIKMRQ,Terpenoids,,,Celastrus paniculatus,561287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Celastrus'],['Celastrus paniculatus'],6,1,6.5 21337,654,211,Terpenoids,Phenylpropanoids (C6-C3),Aristolane sesquiterpenoids,0.0,MS1_match,DXDSZUXZQIKMRQ-GMZGOHOASA-N,"InChI=1S/C30H38O7/c1-26-7-8-27(2,25(36)37-6)15-20(26)30(5)12-10-28(3)16-13-18(32)23(33)22(24(34)35)21(16)17(31)14-19(28)29(30,4)11-9-26/h13-14,20,32-33H,7-12,15H2,1-6H3,(H,34,35)/t20-,26-,27-,28+,29-,30+/m1/s1",COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC(=O)c5c(cc(O)c(O)c5C(=O)O)[C@]4(C)CC[C@@]3(C)[C@@H]2C1,C30H38O7,pos_2_2sodium,510.2617535559998,DXDSZUXZQIKMRQ,Terpenoids,,,Maytenus woodsonii,433240.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Maytenus'],['Maytenus woodsonii'],6,1,6.5 21289,653,1544,Alkaloids,Pseudoalkaloids,Isoindole alkaloids,0.32783237,ISDB,ICZVDXDXJQCDOJ-UHFFFAOYSA-N,"InChI=1S/C10H11NO3/c1-5-8(12)3-6-7(9(5)14-2)4-11-10(6)13/h3,12H,4H2,1-2H3,(H,11,13)",COc1c(C)c(O)cc2c1CNC2=O,C10H11NO3,,193.073893212,ICZVDXDXJQCDOJ,Alkaloids,Pseudoalkaloids,Isoindole alkaloids,Althaea armeniaca,447106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Althaea'],['Althaea armeniaca'],4,3,6.811329483985901 21290,653,1544,Alkaloids,Pseudoalkaloids,Isoindole alkaloids,0.32783237,ISDB,ICZVDXDXJQCDOJ-UHFFFAOYSA-N,"InChI=1S/C10H11NO3/c1-5-8(12)3-6-7(9(5)14-2)4-11-10(6)13/h3,12H,4H2,1-2H3,(H,11,13)",COc1c(C)c(O)cc2c1CNC2=O,C10H11NO3,,193.073893212,ICZVDXDXJQCDOJ,Alkaloids,Pseudoalkaloids,Isoindole alkaloids,Althaea officinalis,643492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Althaea'],['Althaea officinalis'],4,3,6.811329483985901 21291,653,1544,Alkaloids,Pseudoalkaloids,Isoindole alkaloids,0.32783237,ISDB,ICZVDXDXJQCDOJ-UHFFFAOYSA-N,"InChI=1S/C10H11NO3/c1-5-8(12)3-6-7(9(5)14-2)4-11-10(6)13/h3,12H,4H2,1-2H3,(H,11,13)",COc1c(C)c(O)cc2c1CNC2=O,C10H11NO3,,193.073893212,ICZVDXDXJQCDOJ,Alkaloids,Pseudoalkaloids,Isoindole alkaloids,Sonchus asper,761937.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Sonchus'],['Sonchus asper'],4,3,6.811329483985901 21292,653,1544,Alkaloids,Pseudoalkaloids,Isoindole alkaloids,0.32783237,ISDB,ICZVDXDXJQCDOJ-UHFFFAOYSA-N,"InChI=1S/C10H11NO3/c1-5-8(12)3-6-7(9(5)14-2)4-11-10(6)13/h3,12H,4H2,1-2H3,(H,11,13)",COc1c(C)c(O)cc2c1CNC2=O,C10H11NO3,,193.073893212,ICZVDXDXJQCDOJ,Alkaloids,Pseudoalkaloids,Isoindole alkaloids,Sonchus maritimus,501725.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Sonchus'],['Sonchus maritimus'],4,3,6.811329483985901 21285,652,1286,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,KJXSIXMJHKAJOD-HUUCEWRRSA-N,"InChI=1S/C15H12O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,14-20,22H/t14-,15-/m1/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2cc(O)c(O)c(O)c2)[C@@H]1O,C15H12O8,pos_1_1proton,320.053217344,KJXSIXMJHKAJOD,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Gymnosporia senegalensis,170566.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Gymnosporia'],['Gymnosporia senegalensis'],6,2,7.0 21286,652,1286,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,KJXSIXMJHKAJOD-LSDHHAIUSA-N,"InChI=1S/C15H12O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,14-20,22H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2cc(O)c(O)c(O)c2)[C@H]1O,C15H12O8,pos_1_1proton,320.0532173439999,KJXSIXMJHKAJOD,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Catha edulis,282743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Catha'],['Catha edulis'],6,2,7.0 21287,652,1286,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,KJXSIXMJHKAJOD-HUUCEWRRSA-N,"InChI=1S/C15H12O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,14-20,22H/t14-,15-/m1/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2cc(O)c(O)c(O)c2)[C@@H]1O,C15H12O8,pos_1_1proton,320.053217344,KJXSIXMJHKAJOD,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Gymnosporia senegalensis,170566.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Gymnosporia'],['Gymnosporia senegalensis'],6,2,7.0 21288,652,1286,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,KJXSIXMJHKAJOD-LSDHHAIUSA-N,"InChI=1S/C15H12O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,14-20,22H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2cc(O)c(O)c(O)c2)[C@H]1O,C15H12O8,pos_1_1proton,320.0532173439999,KJXSIXMJHKAJOD,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Catha edulis,282743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Catha'],['Catha edulis'],6,2,7.0 21282,650,-1,,,,0.0,MS1_match,OJHBIIMDJHZZCQ-GOSISDBHSA-N,"InChI=1S/C19H29N3O2/c1-16(23)22-12-6-5-10-20-15-18(17-8-3-2-4-9-17)14-19(24)21-11-7-13-22/h2-4,8-9,18,20H,5-7,10-15H2,1H3,(H,21,24)/t18-/m1/s1",CC(=O)N1CCCCNC[C@H](c2ccccc2)CC(=O)NCCC1,C19H29N3O2,pos_1_sodium,331.225977168,OJHBIIMDJHZZCQ,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Maytenus buxifolia,1060181.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Maytenus'],['Maytenus buxifolia'],6,0,6.0 21279,649,100,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,DXLORNSIGDEVQK-ORHSKWSZSA-N,"InChI=1S/C65H106O30/c1-25-36(68)41(73)46(78)54(86-25)93-51-30(22-67)89-53(50(82)45(51)77)84-23-31-39(71)44(76)49(81)57(90-31)95-59(83)65-18-16-60(3,4)20-28(65)27-10-11-34-62(7)14-13-35(61(5,6)33(62)12-15-64(34,9)63(27,8)17-19-65)92-58-52(94-55-47(79)42(74)37(69)26(2)87-55)40(72)32(24-85-58)91-56-48(80)43(75)38(70)29(21-66)88-56/h10,25-26,28-58,66-82H,11-24H2,1-9H3/t25-,26-,28-,29+,30+,31+,32-,33-,34+,35-,36-,37-,38+,39+,40-,41+,42+,43-,44-,45+,46+,47+,48+,49+,50+,51+,52+,53+,54-,55-,56-,57-,58-,62-,63+,64+,65-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@]4(C)[C@H]5CC=C6[C@@H]7CC(C)(C)CC[C@]7(C(=O)O[C@@H]7O[C@H](CO[C@@H]8O[C@H](CO)[C@@H](O[C@@H]9O[C@@H](C)[C@H](O)[C@@H](O)[C@H]9O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O)[C@H]7O)CC[C@@]6(C)[C@]5(C)CC[C@H]4C3(C)C)OC[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C65H106O30,pos_3_1proton2sodium,1366.6768919919994,DXLORNSIGDEVQK,Terpenoids,Triterpenoids,Oleanane triterpenoids,Anemone davidii,3945174.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Anemone'],['Anemone davidii'],7,3,8.5 21280,649,100,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,DXLORNSIGDEVQK-ORHSKWSZSA-N,"InChI=1S/C65H106O30/c1-25-36(68)41(73)46(78)54(86-25)93-51-30(22-67)89-53(50(82)45(51)77)84-23-31-39(71)44(76)49(81)57(90-31)95-59(83)65-18-16-60(3,4)20-28(65)27-10-11-34-62(7)14-13-35(61(5,6)33(62)12-15-64(34,9)63(27,8)17-19-65)92-58-52(94-55-47(79)42(74)37(69)26(2)87-55)40(72)32(24-85-58)91-56-48(80)43(75)38(70)29(21-66)88-56/h10,25-26,28-58,66-82H,11-24H2,1-9H3/t25-,26-,28-,29+,30+,31+,32-,33-,34+,35-,36-,37-,38+,39+,40-,41+,42+,43-,44-,45+,46+,47+,48+,49+,50+,51+,52+,53+,54-,55-,56-,57-,58-,62-,63+,64+,65-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@]4(C)[C@H]5CC=C6[C@@H]7CC(C)(C)CC[C@]7(C(=O)O[C@@H]7O[C@H](CO[C@@H]8O[C@H](CO)[C@@H](O[C@@H]9O[C@@H](C)[C@H](O)[C@@H](O)[C@H]9O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O)[C@H]7O)CC[C@@]6(C)[C@]5(C)CC[C@H]4C3(C)C)OC[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C65H106O30,pos_3_1proton2sodium,1366.6768919919994,DXLORNSIGDEVQK,Terpenoids,Triterpenoids,Oleanane triterpenoids,Pulsatilla chinensis,34150.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Pulsatilla'],['Pulsatilla chinensis'],7,3,8.5 21281,649,100,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,AGNAAINECZAUIZ-LWZKETDESA-N,"InChI=1S/C65H106O30/c1-25-36(69)41(74)45(78)54(86-25)92-50-31(22-67)89-53(48(81)44(50)77)85-24-32-40(73)43(76)47(80)56(90-32)95-59(83)65-18-16-60(3,4)20-28(65)27-10-11-34-62(7)14-13-35(61(5,6)33(62)12-15-64(34,9)63(27,8)17-19-65)91-58-52(38(71)29(68)23-84-58)94-57-49(82)51(37(70)26(2)87-57)93-55-46(79)42(75)39(72)30(21-66)88-55/h10,25-26,28-58,66-82H,11-24H2,1-9H3/t25-,26-,28-,29+,30+,31+,32+,33-,34+,35-,36-,37-,38-,39+,40+,41+,42-,43-,44+,45+,46+,47+,48+,49+,50+,51+,52+,53+,54-,55-,56-,57-,58-,62-,63+,64+,65-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C4=CC[C@@H]6[C@@]7(C)CC[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@H]8O)C(C)(C)[C@@H]7CC[C@@]6(C)[C@]4(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O,C65H106O30,pos_3_1proton2sodium,1366.6768919919991,AGNAAINECZAUIZ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Anemonastrum flaccidum,750046.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Anemone'],['Anemone flaccida'],7,3,8.5 21269,648,291,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,0.0,MS1_match,BCEDRNOWFQRFAS-BHXAHMMPSA-N,"InChI=1S/C37H44O17/c1-9-22-14-15-25(43)52-31-28(48-17(2)38)32(51-20(5)41)36(53-21(6)42)30(50-19(4)40)27(44)26-29(49-18(3)39)37(36,35(31,8)46)54-34(26,7)16-47-33(45)24-13-11-10-12-23(22)24/h10-13,22,26,28-32,46H,9,14-16H2,1-8H3/t22-,26-,28+,29-,30-,31+,32+,34+,35+,36+,37+/m1/s1",CC[C@@H]1CCC(=O)O[C@H]2[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]3(OC(C)=O)[C@H](OC(C)=O)C(=O)[C@@H]4[C@@H](OC(C)=O)[C@]3(O[C@@]4(C)COC(=O)c3ccccc31)[C@@]2(C)O,C37H44O17,pos_2_2sodium,760.257849948,BCEDRNOWFQRFAS,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Orthosphenia mexicana,755524.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Orthosphenia'],['Orthosphenia mexicana'],6,3,7.5 21267,645,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,DSNCQKUYZOSARM-QVLXMGEUSA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(22-10)23-11(18)6-3-8-1-4-9(17)5-2-8/h1-6,10,12-17,19-21H,7H2/b6-3+/t10-,12-,13+,14-,15+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O8,pos_1_sodium,326.1001675359999,DSNCQKUYZOSARM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Salacia chinensis,380833.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Salacia'],['Salacia chinensis'],6,0,6.0 21268,645,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,DSNCQKUYZOSARM-QVLXMGEUSA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(22-10)23-11(18)6-3-8-1-4-9(17)5-2-8/h1-6,10,12-17,19-21H,7H2/b6-3+/t10-,12-,13+,14-,15+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O8,pos_1_sodium,326.1001675359999,DSNCQKUYZOSARM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Salacia chinensis,380833.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Salacia'],['Salacia chinensis'],6,0,6.0 21265,642,287,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,ZDXPYRJPNDTMRX-VKHMYHEASA-N,"InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1",NC(=O)CC[C@H](N)C(=O)O,C5H10N2O3,pos_1_1proton,146.06914218,ZDXPYRJPNDTMRX,Amino acids and Peptides,Small peptides,Aminoacids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,3,7.5 21266,642,287,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,MTCFGRXMJLQNBG-REOHCLBHSA-N,"InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1",N[C@@H](CO)C(=O)O,C3H7NO3,pos_1_1proton1acetonitrile,105.042593084,MTCFGRXMJLQNBG,Amino acids and Peptides,Small peptides,Aminoacids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,3,7.5 21247,638,58,Polyketides,Glycerolipids,Glycosyldiacylglycerols,0.40214586,ISDB,NSOPGAYUGBZWHL-UHFFFAOYSA-N,"InChI=1S/C39H64O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,37,40H,3-4,9-10,15-16,21-36H2,1-2H3",CCC=CCC=CCC=CCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCC=CCC=CCC=CCC,C39H64O5,,612.475375148,NSOPGAYUGBZWHL,Fatty acids,Glycerolipids,Triacylglycerols,Angelica sinensis,182228.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Selineae'],['Angelica'],['Angelica sinensis'],4,2,6.608583450317383 21248,638,58,Polyketides,Glycerolipids,Glycosyldiacylglycerols,0.40214586,ISDB,NSOPGAYUGBZWHL-UHFFFAOYSA-N,"InChI=1S/C39H64O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,37,40H,3-4,9-10,15-16,21-36H2,1-2H3",CCC=CCC=CCC=CCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCC=CCC=CCC=CCC,C39H64O5,,612.475375148,NSOPGAYUGBZWHL,Fatty acids,Glycerolipids,Triacylglycerols,Halimodendron halodendron,761641.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Caraganeae'],['Halimodendron'],['Halimodendron halodendron'],4,2,6.608583450317383 21249,638,58,Polyketides,Glycerolipids,Glycosyldiacylglycerols,0.40214586,ISDB,NSOPGAYUGBZWHL-YTWBPVBXSA-N,"InChI=1S/C39H64O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,37,40H,3-4,9-10,15-16,21-36H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C39H64O5,,612.475375148,NSOPGAYUGBZWHL,Fatty acids,Glycerolipids,Triacylglycerols,Glycine max,681762.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Glycine max'],4,2,6.608583450317383 21232,636,72,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.2907337,ISDB,KNARYUCFPVYOGC-UHFFFAOYSA-N,"InChI=1S/C40H77NO10/c1-3-5-7-9-10-11-12-13-14-15-16-20-24-28-35(45)41-32(30-50-40-39(49)38(48)37(47)34(29-42)51-40)36(46)33(44)27-23-19-17-18-22-26-31(43)25-21-8-6-4-2/h11-12,31-34,36-40,42-44,46-49H,3-10,13-30H2,1-2H3,(H,41,45)",CCCCCCC=CCCCCCCCC(=O)NC(COC1OC(CO)C(O)C(O)C1O)C(O)C(O)CCCCCCCC(O)CCCCCC,C40H77NO10,,731.554747664,KNARYUCFPVYOGC,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Symphyotrichum subulatum,965961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Symphyotrichum'],['Symphyotrichum subulatum'],4,3,6.66293478012085 21233,636,72,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.2907337,ISDB,KNARYUCFPVYOGC-RILHEVMBSA-N,"InChI=1S/C40H77NO10/c1-3-5-7-9-10-11-12-13-14-15-16-20-24-28-35(45)41-32(30-50-40-39(49)38(48)37(47)34(29-42)51-40)36(46)33(44)27-23-19-17-18-22-26-31(43)25-21-8-6-4-2/h11-12,31-34,36-40,42-44,46-49H,3-10,13-30H2,1-2H3,(H,41,45)/b12-11+/t31-,32-,33-,34-,36+,37-,38+,39-,40-/m1/s1",CCCCCC/C=C/CCCCCCCC(=O)N[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCC[C@H](O)CCCCCC,C40H77NO10,,731.554747664,KNARYUCFPVYOGC,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Erigeron bonariensis,747355.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Conyza'],['Conyza bonariensis'],4,3,6.66293478012085 21234,636,72,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.2907337,ISDB,KNARYUCFPVYOGC-RILHEVMBSA-N,"InChI=1S/C40H77NO10/c1-3-5-7-9-10-11-12-13-14-15-16-20-24-28-35(45)41-32(30-50-40-39(49)38(48)37(47)34(29-42)51-40)36(46)33(44)27-23-19-17-18-22-26-31(43)25-21-8-6-4-2/h11-12,31-34,36-40,42-44,46-49H,3-10,13-30H2,1-2H3,(H,41,45)/b12-11+/t31-,32-,33-,34-,36+,37-,38+,39-,40-/m1/s1",CCCCCC/C=C/CCCCCCCC(=O)N[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCC[C@H](O)CCCCCC,C40H77NO10,,731.554747664,KNARYUCFPVYOGC,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Conyza bonariensis,747355.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Conyza'],['Conyza bonariensis'],4,3,6.66293478012085 21212,633,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,UTECWQIXBMWRRR-QXHWVZJPSA-N,"InChI=1S/C27H30O17/c28-6-14-17(34)19(36)21(38)26(41-14)43-24-15(7-29)42-27(22(39)20(24)37)44-25-18(35)16-12(33)4-9(30)5-13(16)40-23(25)8-1-2-10(31)11(32)3-8/h1-5,14-15,17,19-22,24,26-34,36-39H,6-7H2/t14-,15-,17-,19+,20-,21-,22-,24-,26+,27+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_1proton,626.1482995000001,UTECWQIXBMWRRR,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus biternatus,692884.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus biternatus'],6,3,7.5 21213,633,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RDUAJIJVNHKTQC-UJECXLDQSA-N,"InChI=1S/C27H30O17/c28-6-14-17(34)20(37)22(39)26(41-14)44-25-21(38)18(35)15(7-29)42-27(25)43-24-19(36)16-12(33)4-9(30)5-13(16)40-23(24)8-1-2-10(31)11(32)3-8/h1-5,14-15,17-18,20-22,25-35,37-39H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,25-,26+,27+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_1proton,626.1482995,RDUAJIJVNHKTQC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus sphaerospermus,1033259.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus sphaerospermus'],6,3,7.5 21214,633,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RDUAJIJVNHKTQC-UJECXLDQSA-N,"InChI=1S/C27H30O17/c28-6-14-17(34)20(37)22(39)26(41-14)44-25-21(38)18(35)15(7-29)42-27(25)43-24-19(36)16-12(33)4-9(30)5-13(16)40-23(24)8-1-2-10(31)11(32)3-8/h1-5,14-15,17-18,20-22,25-35,37-39H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,25-,26+,27+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_1proton,626.1482995,RDUAJIJVNHKTQC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus aquatilis var. diffusus,5264025.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus aquatilis'],6,3,7.5 21215,633,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RDUAJIJVNHKTQC-UJECXLDQSA-N,"InChI=1S/C27H30O17/c28-6-14-17(34)20(37)22(39)26(41-14)44-25-21(38)18(35)15(7-29)42-27(25)43-24-19(36)16-12(33)4-9(30)5-13(16)40-23(24)8-1-2-10(31)11(32)3-8/h1-5,14-15,17-18,20-22,25-35,37-39H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,25-,26+,27+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_1proton,626.1482995,RDUAJIJVNHKTQC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus aquatilis,491491.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus aquatilis'],6,3,7.5 21216,633,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RDUAJIJVNHKTQC-UJECXLDQSA-N,"InChI=1S/C27H30O17/c28-6-14-17(34)20(37)22(39)26(41-14)44-25-21(38)18(35)15(7-29)42-27(25)43-24-19(36)16-12(33)4-9(30)5-13(16)40-23(24)8-1-2-10(31)11(32)3-8/h1-5,14-15,17-18,20-22,25-35,37-39H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,25-,26+,27+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_1proton,626.1482995,RDUAJIJVNHKTQC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus penicillatus,492327.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus penicillatus'],6,3,7.5 21217,633,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RDUAJIJVNHKTQC-UJECXLDQSA-N,"InChI=1S/C27H30O17/c28-6-14-17(34)20(37)22(39)26(41-14)44-25-21(38)18(35)15(7-29)42-27(25)43-24-19(36)16-12(33)4-9(30)5-13(16)40-23(24)8-1-2-10(31)11(32)3-8/h1-5,14-15,17-18,20-22,25-35,37-39H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,25-,26+,27+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_1proton,626.1482995,RDUAJIJVNHKTQC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus fluitans,961752.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus fluitans'],6,3,7.5 21218,633,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RDUAJIJVNHKTQC-UJECXLDQSA-N,"InChI=1S/C27H30O17/c28-6-14-17(34)20(37)22(39)26(41-14)44-25-21(38)18(35)15(7-29)42-27(25)43-24-19(36)16-12(33)4-9(30)5-13(16)40-23(24)8-1-2-10(31)11(32)3-8/h1-5,14-15,17-18,20-22,25-35,37-39H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,25-,26+,27+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_1proton,626.1482995,RDUAJIJVNHKTQC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus peltatus,816424.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus peltatus'],6,3,7.5 21219,633,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RDUAJIJVNHKTQC-UJECXLDQSA-N,"InChI=1S/C27H30O17/c28-6-14-17(34)20(37)22(39)26(41-14)44-25-21(38)18(35)15(7-29)42-27(25)43-24-19(36)16-12(33)4-9(30)5-13(16)40-23(24)8-1-2-10(31)11(32)3-8/h1-5,14-15,17-18,20-22,25-35,37-39H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,25-,26+,27+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_1proton,626.1482995,RDUAJIJVNHKTQC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus rionii,593374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus rionii'],6,3,7.5 21220,633,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,BNSCASRSSGJHQH-DEFKTLOSSA-N,"InChI=1S/C27H30O17/c28-6-14-17(33)20(36)22(38)26(42-14)40-9-4-12(32)16-13(5-9)41-24(8-1-2-10(30)11(31)3-8)25(19(16)35)44-27-23(39)21(37)18(34)15(7-29)43-27/h1-5,14-15,17-18,20-23,26-34,36-39H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,23-,26-,27+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C27H30O17,pos_1_1proton,626.1482995,BNSCASRSSGJHQH,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus peltatus,816424.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus peltatus'],6,3,7.5 21221,633,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,BNSCASRSSGJHQH-DEFKTLOSSA-N,"InChI=1S/C27H30O17/c28-6-14-17(33)20(36)22(38)26(42-14)40-9-4-12(32)16-13(5-9)41-24(8-1-2-10(30)11(31)3-8)25(19(16)35)44-27-23(39)21(37)18(34)15(7-29)43-27/h1-5,14-15,17-18,20-23,26-34,36-39H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,23-,26-,27+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C27H30O17,pos_1_1proton,626.1482995,BNSCASRSSGJHQH,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus peltatus,816424.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus peltatus'],6,3,7.5 21222,633,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,FDRQPMVGJOQVTL-DEFKTLOSSA-N,"InChI=1S/C27H30O17/c28-6-14-17(33)20(36)22(38)26(42-14)40-7-15-18(34)21(37)23(39)27(43-15)44-25-19(35)16-12(32)4-9(29)5-13(16)41-24(25)8-1-2-10(30)11(31)3-8/h1-5,14-15,17-18,20-23,26-34,36-39H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,23-,26-,27+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_1proton,626.1482995,FDRQPMVGJOQVTL,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus moseleyi,6132641.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus moseleyi'],6,3,7.5 21223,633,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,FDRQPMVGJOQVTL-DEFKTLOSSA-N,"InChI=1S/C27H30O17/c28-6-14-17(33)20(36)22(38)26(42-14)40-7-15-18(34)21(37)23(39)27(43-15)44-25-19(35)16-12(32)4-9(29)5-13(16)41-24(25)8-1-2-10(30)11(31)3-8/h1-5,14-15,17-18,20-23,26-34,36-39H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,23-,26-,27+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_1proton,626.1482995,FDRQPMVGJOQVTL,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus biternatus,692884.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus biternatus'],6,3,7.5 21224,633,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,FDRQPMVGJOQVTL-DEFKTLOSSA-N,"InChI=1S/C27H30O17/c28-6-14-17(33)20(36)22(38)26(42-14)40-7-15-18(34)21(37)23(39)27(43-15)44-25-19(35)16-12(32)4-9(29)5-13(16)41-24(25)8-1-2-10(30)11(31)3-8/h1-5,14-15,17-18,20-23,26-34,36-39H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,23-,26-,27+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_1proton,626.1482995,FDRQPMVGJOQVTL,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus pseudotrullifolius,456902.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus pseudotrullifolius'],6,3,7.5 21225,633,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,UTECWQIXBMWRRR-QXHWVZJPSA-N,"InChI=1S/C27H30O17/c28-6-14-17(34)19(36)21(38)26(41-14)43-24-15(7-29)42-27(22(39)20(24)37)44-25-18(35)16-12(33)4-9(30)5-13(16)40-23(25)8-1-2-10(31)11(32)3-8/h1-5,14-15,17,19-22,24,26-34,36-39H,6-7H2/t14-,15-,17-,19+,20-,21-,22-,24-,26+,27+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_1proton,626.1482995000001,UTECWQIXBMWRRR,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus moseleyi,6132641.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus moseleyi'],6,3,7.5 21226,633,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,UTECWQIXBMWRRR-QXHWVZJPSA-N,"InChI=1S/C27H30O17/c28-6-14-17(34)19(36)21(38)26(41-14)43-24-15(7-29)42-27(22(39)20(24)37)44-25-18(35)16-12(33)4-9(30)5-13(16)40-23(25)8-1-2-10(31)11(32)3-8/h1-5,14-15,17,19-22,24,26-34,36-39H,6-7H2/t14-,15-,17-,19+,20-,21-,22-,24-,26+,27+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_1proton,626.1482995000001,UTECWQIXBMWRRR,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus pseudotrullifolius,456902.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus pseudotrullifolius'],6,3,7.5 21227,633,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,UTECWQIXBMWRRR-QXHWVZJPSA-N,"InChI=1S/C27H30O17/c28-6-14-17(34)19(36)21(38)26(41-14)43-24-15(7-29)42-27(22(39)20(24)37)44-25-18(35)16-12(33)4-9(30)5-13(16)40-23(25)8-1-2-10(31)11(32)3-8/h1-5,14-15,17,19-22,24,26-34,36-39H,6-7H2/t14-,15-,17-,19+,20-,21-,22-,24-,26+,27+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_1proton,626.1482995000001,UTECWQIXBMWRRR,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus biternatus,692884.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus biternatus'],6,3,7.5 21228,633,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,UTECWQIXBMWRRR-QXHWVZJPSA-N,"InChI=1S/C27H30O17/c28-6-14-17(34)19(36)21(38)26(41-14)43-24-15(7-29)42-27(22(39)20(24)37)44-25-18(35)16-12(33)4-9(30)5-13(16)40-23(25)8-1-2-10(31)11(32)3-8/h1-5,14-15,17,19-22,24,26-34,36-39H,6-7H2/t14-,15-,17-,19+,20-,21-,22-,24-,26+,27+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_1proton,626.1482995000001,UTECWQIXBMWRRR,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus moseleyi,6132641.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus moseleyi'],6,3,7.5 21229,633,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,UTECWQIXBMWRRR-QXHWVZJPSA-N,"InChI=1S/C27H30O17/c28-6-14-17(34)19(36)21(38)26(41-14)43-24-15(7-29)42-27(22(39)20(24)37)44-25-18(35)16-12(33)4-9(30)5-13(16)40-23(25)8-1-2-10(31)11(32)3-8/h1-5,14-15,17,19-22,24,26-34,36-39H,6-7H2/t14-,15-,17-,19+,20-,21-,22-,24-,26+,27+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_1proton,626.1482995000001,UTECWQIXBMWRRR,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus pseudotrullifolius,456902.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus pseudotrullifolius'],6,3,7.5 21230,633,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RDUAJIJVNHKTQC-UJECXLDQSA-N,"InChI=1S/C27H30O17/c28-6-14-17(34)20(37)22(39)26(41-14)44-25-21(38)18(35)15(7-29)42-27(25)43-24-19(36)16-12(33)4-9(30)5-13(16)40-23(24)8-1-2-10(31)11(32)3-8/h1-5,14-15,17-18,20-22,25-35,37-39H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,25-,26+,27+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_1proton,626.1482995,RDUAJIJVNHKTQC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus hederaceus,566818.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus hederaceus'],6,3,7.5 21231,633,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RDUAJIJVNHKTQC-IROKYFGSSA-N,"InChI=1S/C27H30O17/c28-6-14-17(34)20(37)22(39)26(41-14)44-25-21(38)18(35)15(7-29)42-27(25)43-24-19(36)16-12(33)4-9(30)5-13(16)40-23(24)8-1-2-10(31)11(32)3-8/h1-5,14-15,17-18,20-22,25-35,37-39H,6-7H2/t14?,15?,17-,18-,20?,21?,22-,25?,26+,27+/m1/s1",O=c1c(O[C@@H]2OC(CO)[C@@H](O)C(O)C2O[C@@H]2OC(CO)[C@@H](O)C(O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_1proton,626.1482995,RDUAJIJVNHKTQC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus ololeucos,566818.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus hederaceus'],6,3,7.5 21211,632,841,Terpenoids,Monoterpenoids,Camphane monoterpenoids,0.27643418,ISDB,MXINPMPTHWBNPF-AMQQOLNISA-N,"InChI=1S/C30H39NO6/c1-15-10-19-22(20(32)11-15)17(3)23(34)24-26(4)13-21(33)37-30(25(35)28(19,24)6)27(26,5)7-8-29-12-16(2)9-18(36-29)14-31(29)30/h11,16-19,22,24H,7-10,12-14H2,1-6H3/t16-,17+,18+,19+,22?,24+,26-,27-,28?,29-,30?/m0/s1",CC1=CC(=O)C2[C@@H](C1)C1(C)C(=O)C34OC(=O)C[C@@](C)([C@H]1C(=O)[C@@H]2C)[C@]3(C)CC[C@]12C[C@@H](C)C[C@H](CN41)O2,C30H39NO6,,509.277737968,MXINPMPTHWBNPF,Alkaloids,Pseudoalkaloids,,Zoanthus,480145.0,['Eukaryota'],['Metazoa'],['Cnidaria'],['Anthozoa'],['Zoantharia'],['Zoanthidae'],['Unknown'],['Zoanthus'],['Unknown'],1,0,2.10573673248291 21207,631,-1,,,,0.0,MS1_match,HCZAFKIGYZFVCO-SYBTYGMXSA-N,"InChI=1S/C35H54O14/c1-15-30(49-32-28(42)26(40)25(39)22(13-36)48-32)27(41)29(43)31(46-15)47-18-11-17-4-5-21-20(34(17,3)23(37)12-18)6-8-33(2)19(7-9-35(21,33)44)16-10-24(38)45-14-16/h10,15,17-23,25-32,36-37,39-44H,4-9,11-14H2,1-3H3/t15-,17+,18+,19+,20-,21+,22+,23+,25+,26-,27-,28+,29+,30-,31-,32-,33+,34-,35-/m0/s1",C[C@@H]1O[C@@H](O[C@@H]2C[C@H]3CC[C@@H]4[C@H](CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]45O)[C@@]3(C)[C@H](O)C2)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C35H54O14,pos_2_2sodium,698.351356408,HCZAFKIGYZFVCO,Terpenoids,Steroids,Cardenolides,Euonymus alatus,601141.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus alatus'],7,0,7.0 21208,631,-1,,,,0.0,MS1_match,DPHZHOXPZJMWTP-NDAFQYKHSA-N,"InChI=1S/C35H54O14/c1-15-25(39)28(42)30(49-31-29(43)27(41)26(40)22(13-36)48-31)32(46-15)47-18-11-17-4-5-21-20(34(17,3)23(37)12-18)6-8-33(2)19(7-9-35(21,33)44)16-10-24(38)45-14-16/h10,15,17-23,25-32,36-37,39-44H,4-9,11-14H2,1-3H3/t15-,17+,18+,19+,20-,21+,22+,23+,25-,26+,27-,28+,29+,30+,31-,32-,33+,34-,35-/m0/s1",C[C@@H]1O[C@@H](O[C@@H]2C[C@H]3CC[C@@H]4[C@H](CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]45O)[C@@]3(C)[C@H](O)C2)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O,C35H54O14,pos_2_2sodium,698.351356408,DPHZHOXPZJMWTP,Terpenoids,Steroids,Cardenolides,Euonymus alatus,601141.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus alatus'],7,0,7.0 21209,631,-1,,,,0.0,MS1_match,DPHZHOXPZJMWTP-NDAFQYKHSA-N,"InChI=1S/C35H54O14/c1-15-25(39)28(42)30(49-31-29(43)27(41)26(40)22(13-36)48-31)32(46-15)47-18-11-17-4-5-21-20(34(17,3)23(37)12-18)6-8-33(2)19(7-9-35(21,33)44)16-10-24(38)45-14-16/h10,15,17-23,25-32,36-37,39-44H,4-9,11-14H2,1-3H3/t15-,17+,18+,19+,20-,21+,22+,23+,25-,26+,27-,28+,29+,30+,31-,32-,33+,34-,35-/m0/s1",C[C@@H]1O[C@@H](O[C@@H]2C[C@H]3CC[C@@H]4[C@H](CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]45O)[C@@]3(C)[C@H](O)C2)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O,C35H54O14,pos_2_2sodium,698.351356408,DPHZHOXPZJMWTP,Terpenoids,Steroids,Cardenolides,Euonymus hamiltonianus,174310.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus hamiltonianus'],7,0,7.0 21204,630,7,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.5736432,ISDB,HQPQTQQUHPFUOA-ZCPYHVQDSA-N,"InChI=1S/C27H36O2/c1-21(11-7-8-12-22(2)15-10-18-28)13-9-14-23(3)16-17-26-24(4)19-25(29)20-27(26,5)6/h7-18,25,29H,19-20H2,1-6H3/b8-7+,13-9+,15-10+,17-16+,21-11+,22-12+,23-14+/t25-/m1/s1",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=O)C(C)(C)C[C@H](O)C1,C27H36O2,,392.271530392,HQPQTQQUHPFUOA,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],4,1,6.794572830200195 21169,629,720,Amino acids and Peptides,Small peptides,Dipeptides,0.8120626,ISDB,GHOKWGTUZJEAQD-ZETCQYMHSA-N,"InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)/t7-/m0/s1",CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)O,C9H17NO5,,219.110672644,GHOKWGTUZJEAQD,Amino acids and Peptides,Small peptides,Dipeptides,Glycine max,681762.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Glycine max'],4,3,8.748250484466553 21170,629,720,Amino acids and Peptides,Small peptides,Dipeptides,0.8120626,ISDB,GHOKWGTUZJEAQD-ZETCQYMHSA-N,"InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)/t7-/m0/s1",CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)O,C9H17NO5,,219.110672644,GHOKWGTUZJEAQD,Amino acids and Peptides,Small peptides,Dipeptides,Phaseolus vulgaris,825707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Phaseolus'],['Phaseolus vulgaris'],4,3,8.748250484466553 21171,629,720,Amino acids and Peptides,Small peptides,Dipeptides,0.8120626,ISDB,GHOKWGTUZJEAQD-UHFFFAOYSA-N,"InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)",CC(C)(CO)C(O)C(=O)NCCC(=O)O,C9H17NO5,,219.110672644,GHOKWGTUZJEAQD,Amino acids and Peptides,Small peptides,Dipeptides,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],4,3,8.748250484466553 21172,629,720,Amino acids and Peptides,Small peptides,Dipeptides,0.8120626,ISDB,GHOKWGTUZJEAQD-ZETCQYMHSA-N,"InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)/t7-/m0/s1",CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)O,C9H17NO5,,219.110672644,GHOKWGTUZJEAQD,Amino acids and Peptides,Small peptides,Dipeptides,Vicia faba,539544.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Fabeae'],['Vicia'],['Vicia faba'],4,3,8.748250484466553 21173,629,720,Amino acids and Peptides,Small peptides,Dipeptides,0.8120626,ISDB,GHOKWGTUZJEAQD-ZETCQYMHSA-N,"InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)/t7-/m0/s1",CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)O,C9H17NO5,,219.110672644,GHOKWGTUZJEAQD,Amino acids and Peptides,Small peptides,Dipeptides,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],4,3,8.748250484466553 21174,629,720,Amino acids and Peptides,Small peptides,Dipeptides,0.8120626,ISDB,GHOKWGTUZJEAQD-UHFFFAOYSA-N,"InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)",CC(C)(CO)C(O)C(=O)NCCC(=O)O,C9H17NO5,,219.110672644,GHOKWGTUZJEAQD,Amino acids and Peptides,Small peptides,Dipeptides,Ardisia crenata,776705.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Primulaceae'],['Unknown'],['Ardisia'],['Ardisia crenata'],4,3,8.748250484466553 21175,629,720,Amino acids and Peptides,Small peptides,Dipeptides,0.8120626,ISDB,GHOKWGTUZJEAQD-UHFFFAOYSA-N,"InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)",CC(C)(CO)C(O)C(=O)NCCC(=O)O,C9H17NO5,,219.110672644,GHOKWGTUZJEAQD,Amino acids and Peptides,Small peptides,Dipeptides,Psychotria punctata,171145.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Psychotrieae'],['Psychotria'],['Psychotria punctata'],4,3,8.748250484466553 21176,629,720,Amino acids and Peptides,Small peptides,Dipeptides,0.8120626,ISDB,GHOKWGTUZJEAQD-ZETCQYMHSA-N,"InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)/t7-/m0/s1",CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)O,C9H17NO5,,219.110672644,GHOKWGTUZJEAQD,Amino acids and Peptides,Small peptides,Dipeptides,Panax ginseng,524063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax ginseng'],4,3,8.748250484466553 21166,624,-1,,,,0.0,MS1_match,MUPFEKGTMRGPLJ-ZQSKZDJDSA-N,"InChI=1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18/h5-17,19-29H,1-4H2/t5-,6-,7-,8+,9-,10-,11+,12+,13-,14-,15+,16+,17-,18+/m1/s1",OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[C@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O,C18H32O16,pos_1_1potassium,504.1690349439997,MUPFEKGTMRGPLJ,Carbohydrates,Saccharides,Disaccharides,Salacia oblonga,316027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Salacia'],['Salacia oblonga'],6,0,6.0 21167,624,-1,,,,0.0,MS1_match,MUPFEKGTMRGPLJ-ZQSKZDJDSA-N,"InChI=1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18/h5-17,19-29H,1-4H2/t5-,6-,7-,8+,9-,10-,11+,12+,13-,14-,15+,16+,17-,18+/m1/s1",OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[C@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O,C18H32O16,pos_1_1potassium,504.1690349439997,MUPFEKGTMRGPLJ,Carbohydrates,Saccharides,Disaccharides,Salacia oblonga,316027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Salacia'],['Salacia oblonga'],6,0,6.0 21168,624,-1,,,,0.0,MS1_match,MUPFEKGTMRGPLJ-ZQSKZDJDSA-N,"InChI=1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18/h5-17,19-29H,1-4H2/t5-,6-,7-,8+,9-,10-,11+,12+,13-,14-,15+,16+,17-,18+/m1/s1",OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[C@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O,C18H32O16,pos_1_1potassium,504.1690349439997,MUPFEKGTMRGPLJ,Carbohydrates,Saccharides,Disaccharides,Salacia oblonga,316027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Salacia'],['Salacia oblonga'],6,0,6.0 21162,623,-1,,,,0.50076634,ISDB,NFPUDFZBEBPMIG-UHFFFAOYSA-N,"InChI=1S/C42H46O22/c1-15-28(48)31(51)34(54)40(58-15)57-14-25-38(63-26(47)10-4-17-3-9-21(44)22(45)11-17)33(53)36(56)42(62-25)64-39-30(50)27-23(46)12-20(60-41-35(55)32(52)29(49)16(2)59-41)13-24(27)61-37(39)18-5-7-19(43)8-6-18/h3-13,15-16,25,28-29,31-36,38,40-46,48-49,51-56H,14H2,1-2H3",CC1OC(OCC2OC(Oc3c(-c4ccc(O)cc4)oc4cc(OC5OC(C)C(O)C(O)C5O)cc(O)c4c3=O)C(O)C(O)C2OC(=O)C=Cc2ccc(O)c(O)c2)C(O)C(O)C1O,C42H46O22,,902.248073112,NFPUDFZBEBPMIG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Eustoma grandiflorum,633066.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Gentianaceae'],['Chironieae'],['Eustoma'],['Eustoma exaltatum'],4,0,6.003065347671509 21037,621,-1,,,,0.6672008,ISDB,BCTBHOXCGJDKFZ-PLJUSGQGSA-N,"InChI=1S/C16H28O7/c1-16(2,21)10-5-3-9(4-6-10)8-22-15-14(20)13(19)12(18)11(7-17)23-15/h3,10-15,17-21H,4-8H2,1-2H3/t10-,11-,12-,13+,14-,15-/m1/s1",CC(C)(O)[C@@H]1CC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC1,C16H28O7,,332.183503236,BCTBHOXCGJDKFZ,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Sedum sarmentosum,810620.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Sedum'],['Sedum sarmentosum'],4,0,6.6688032150268555 21034,620,94,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.26488394,ISDB,,,,,,,ZYHCZHIJBQGRNF,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.0595357418060303 20326,618,1105,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.36936715,ISDB,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera microphylla,980075.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera microphylla'],7,3,9.977468609809875 20304,617,1372,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.4881154,ISDB,YUTAFQVKXLDYFG-YTQIUSBHSA-N,"InChI=1S/C16H26O6/c1-9(2)11-5-3-10(4-6-11)8-21-16-15(20)14(19)13(18)12(7-17)22-16/h3,11-20H,1,4-8H2,2H3/t11-,12-,13-,14+,15-,16-/m1/s1",C=C(C)[C@@H]1CC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC1,C16H26O6,,314.17293855199995,YUTAFQVKXLDYFG,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Perilla frutescens,295678.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Elsholtzieae'],['Perilla'],['Perilla frutescens'],4,3,7.45246160030365 20044,615,-1,,,,0.43042764,ISDB,IPRPPFIAVHPVJH-UHFFFAOYSA-N,"InChI=1S/C8H8O2/c9-6-5-7-1-3-8(10)4-2-7/h1-4,6,10H,5H2",O=CCc1ccc(O)cc1,C8H8O2,,136.052429496,IPRPPFIAVHPVJH,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis parviloba,5737758.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis parviloba'],8,0,9.721710562705994 20031,613,-1,,,,0.0,MS1_match,KCDXJAYRVLXPFO-UHFFFAOYSA-N,"InChI=1S/C9H10O4/c1-12-7-3-6(5-10)4-8(13-2)9(7)11/h3-5,11H,1-2H3",COc1cc(C=O)cc(OC)c1O,C9H10O4,pos_1_1proton,182.0579088,KCDXJAYRVLXPFO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Microtropis japonica,828316.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Microtropis'],['Microtropis japonica'],6,0,6.0 20032,613,-1,,,,0.0,MS1_match,KCDXJAYRVLXPFO-UHFFFAOYSA-N,"InChI=1S/C9H10O4/c1-12-7-3-6(5-10)4-8(13-2)9(7)11/h3-5,11H,1-2H3",COc1cc(C=O)cc(OC)c1O,C9H10O4,pos_1_1proton,182.0579088,KCDXJAYRVLXPFO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Gymnosporia pyria,35847.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Gymnosporia'],['Gymnosporia pyria'],6,0,6.0 20030,611,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.2173787,ISDB,,,,,,,XNZFISULTQJHKI,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.8695148229598999 20021,608,1541,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.84153134,ISDB,FOENAQXATBLGSL-LVNOGPFZSA-N,"InChI=1S/C25H26O15/c26-7-25(35)8-37-24(22(25)34)40-21-17(32)14(31)6-36-23(21)39-20-18(33)16-13(30)4-10(27)5-15(16)38-19(20)9-1-2-11(28)12(29)3-9/h1-5,14,17,21-24,26-32,34-35H,6-8H2/t14-,17-,21+,22-,23-,24-,25+/m0/s1",O=c1c(O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O[C@@H]2OC[C@](O)(CO)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C25H26O15,,566.127170132,FOENAQXATBLGSL,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Securidaca diversifolia,414987.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Polygalaceae'],['Unknown'],['Securidaca'],['Securidaca diversifolia'],4,3,8.866125345230103 20022,608,1541,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.84153134,ISDB,FOENAQXATBLGSL-LVNOGPFZSA-N,"InChI=1S/C25H26O15/c26-7-25(35)8-37-24(22(25)34)40-21-17(32)14(31)6-36-23(21)39-20-18(33)16-13(30)4-10(27)5-15(16)38-19(20)9-1-2-11(28)12(29)3-9/h1-5,14,17,21-24,26-32,34-35H,6-8H2/t14-,17-,21+,22-,23-,24-,25+/m0/s1",O=c1c(O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O[C@@H]2OC[C@](O)(CO)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C25H26O15,,566.127170132,FOENAQXATBLGSL,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Neolitsea konishii,5699237.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Neolitsea'],['Neolitsea konishii'],4,3,8.866125345230103 20013,607,80,Terpenoids,Tryptophan alkaloids,Carbazole alkaloids,0.5878121,ISDB,GYFNYTZQAFYJEY-QTUDGBRCSA-N,"InChI=1S/C35H40O10/c1-13(12-36)7-24(37)44-35(42)21-10-20(21)32(4)22-9-17-16-8-19(16)33(5)26(17)27(25(28(38)29(33)39)15(3)30(40)43-6)34(22)18(11-23(32)35)14(2)31(41)45-34/h7,16,19-23,27,29,36,39,42H,8-12H2,1-6H3/b13-7+,25-15-/t16-,19-,20-,21+,22+,23-,27+,29+,32-,33+,34?,35-/m1/s1",COC(=O)/C(C)=C1\C(=O)[C@H](O)[C@]2(C)C3=C(C[C@@H]4C5(OC(=O)C(C)=C5C[C@H]5[C@](O)(OC(=O)/C=C(\C)CO)[C@H]6C[C@H]6[C@]45C)[C@H]31)[C@H]1C[C@H]12,C35H40O10,,620.26214748,GYFNYTZQAFYJEY,Terpenoids,Sesquiterpenoids,Cycloeudesmane sesquiterpenoids,Chloranthus fortunei,569911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Chloranthales'],['Chloranthaceae'],['Unknown'],['Chloranthus'],['Chloranthus fortunei'],4,1,6.851248502731323 20003,605,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RTATXGUCZHCSNG-QHWHWDPRSA-N,"InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O15,pos_1_1proton,594.15847026,RTATXGUCZHCSNG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 19998,602,-1,,,,0.0,MS1_match,HRJAUSFIYSBLLI-VODSTRMTSA-N,"InChI=1S/C35H40O10/c1-21(36)41-26-20-33(5,40)35-29(42-22(2)37)25(32(3,4)45-35)19-27(43-31(39)24-15-11-8-12-16-24)34(35,6)30(26)44-28(38)18-17-23-13-9-7-10-14-23/h7-18,25-27,29-30,40H,19-20H2,1-6H3/b18-17+/t25-,26+,27+,29-,30+,33+,34-,35+/m1/s1",CC(=O)O[C@H]1C[C@](C)(O)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)c4ccccc4)[C@]2(C)[C@H]1OC(=O)/C=C/c1ccccc1)[C@H]3OC(C)=O,C35H40O10,pos_1_sodium,620.26214748,HRJAUSFIYSBLLI,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Euonymus carnosus,514583.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus carnosus'],7,0,7.0 19999,602,-1,,,,0.0,MS1_match,RACYNKLBFZMILD-UHFFFAOYSA-N,"InChI=1S/C35H40O10/c1-22(36)41-21-34-28(43-29(38)17-16-24-12-8-6-9-13-24)18-26-19-35(34,45-32(26,3)4)33(5,40)20-27(42-23(2)37)30(34)44-31(39)25-14-10-7-11-15-25/h6-17,26-28,30,40H,18-21H2,1-5H3",CC(=O)OCC12C(OC(=O)C=Cc3ccccc3)CC3CC1(OC3(C)C)C(C)(O)CC(OC(C)=O)C2OC(=O)c1ccccc1,C35H40O10,pos_1_sodium,620.26214748,RACYNKLBFZMILD,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Euonymus nanoides,5513354.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus nanoides'],7,0,7.0 19886,601,7,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.31790483,ISDB,BMQNSHDVIYZULR-FZJJXLMSSA-N,"InChI=1S/C40H54O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-26,36,41H,27-29H2,1-10H3/b12-11+,18-13-,19-14-,25-23+,26-24+,30-16+,31-17+,32-20-,33-21-",CC1=C(/C=C/C(C)=C\C=C/C(C)=C/C=C/C=C(C)/C=C\C=C(C)/C=C/C2=C(C)CC(O)CC2(C)C)C(C)(C)CC=C1,C40H54O,,550.417466348,BMQNSHDVIYZULR,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Celastrus orbiculatus,56757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Celastrus'],['Celastrus orbiculatus'],6,3,8.771619319915771 19884,600,702,Alkaloids,Sesquiterpenoids,Aporphine alkaloids,0.0,MS1_match,JRHJSZMJYORLNR-RAMPUJJFSA-N,"InChI=1S/C34H37NO13/c1-18(36)44-26-24-25(46-28(38)19-7-8-23(37)35(6)15-19)27(47-30(40)21-11-14-43-17-21)33(5)22(45-29(39)20-10-13-42-16-20)9-12-32(4,41)34(26,33)48-31(24,2)3/h7-8,10-11,13-17,22,24-27,41H,9,12H2,1-6H3/t22-,24+,25-,26+,27-,32-,33-,34-/m0/s1",CC(=O)O[C@@H]1[C@H]2[C@H](OC(=O)c3ccc(=O)n(C)c3)[C@H](OC(=O)c3ccoc3)[C@]3(C)[C@@H](OC(=O)c4ccoc4)CC[C@](C)(O)[C@@]13OC2(C)C,C34H37NO13,pos_3_1proton2sodium,667.226490244,JRHJSZMJYORLNR,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Reissantia buchananii,380816.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Reissantia'],['Reissantia buchananii'],6,2,7.0 19008,598,265,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.7335096,ISDB,XNMPFDIYAMOYRM-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4,6H,1,5,7H2,2-3H3",C=C(C)C1=CC=C(C)CC1,C10H14,,134.109550448,XNMPFDIYAMOYRM,Terpenoids,Monoterpenoids,,Vitis vinifera,756728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Vitales'],['Vitaceae'],['Viteae'],['Vitis'],['Vitis vinifera'],4,2,7.934038400650024 19009,598,265,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.7335096,ISDB,XNMPFDIYAMOYRM-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4,6H,1,5,7H2,2-3H3",C=C(C)C1=CC=C(C)CC1,C10H14,,134.109550448,XNMPFDIYAMOYRM,Terpenoids,Monoterpenoids,,Dracocephalum kotschyi,223863.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Dracocephalum'],['Dracocephalum kotschyi'],4,2,7.934038400650024 19010,598,265,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.7335096,ISDB,XNMPFDIYAMOYRM-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4,6H,1,5,7H2,2-3H3",C=C(C)C1=CC=C(C)CC1,C10H14,,134.109550448,XNMPFDIYAMOYRM,Terpenoids,Monoterpenoids,,Curcuma longa,168258.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Curcuma'],['Curcuma longa'],4,2,7.934038400650024 19011,598,265,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.7335096,ISDB,XNMPFDIYAMOYRM-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4,6H,1,5,7H2,2-3H3",C=C(C)C1=CC=C(C)CC1,C10H14,,134.109550448,XNMPFDIYAMOYRM,Terpenoids,Monoterpenoids,,Chenopodium ambrosioides,202588.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Chenopodiaceae'],['Atripliceae'],['Chenopodium'],['Chenopodium acuminatum'],4,2,7.934038400650024 19012,598,265,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.7335096,ISDB,XNMPFDIYAMOYRM-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4,6H,1,5,7H2,2-3H3",C=C(C)C1=CC=C(C)CC1,C10H14,,134.109550448,XNMPFDIYAMOYRM,Terpenoids,Monoterpenoids,,Dysphania ambrosioides,36264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Chenopodiaceae'],['Dysphanieae'],['Dysphania'],['Dysphania ambrosioides'],4,2,7.934038400650024 19013,598,265,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.7335096,ISDB,XNMPFDIYAMOYRM-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4,6H,1,5,7H2,2-3H3",C=C(C)C1=CC=C(C)CC1,C10H14,,134.109550448,XNMPFDIYAMOYRM,Terpenoids,Monoterpenoids,,Salvia argentea,448585.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia argentea'],4,2,7.934038400650024 19014,598,265,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.7335096,ISDB,XNMPFDIYAMOYRM-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4,6H,1,5,7H2,2-3H3",C=C(C)C1=CC=C(C)CC1,C10H14,,134.109550448,XNMPFDIYAMOYRM,Terpenoids,Monoterpenoids,,Linum salsoloides,7635380.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Linaceae'],['Unknown'],['Linum'],['Linum salsoloides'],4,2,7.934038400650024 19015,598,265,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.7335096,ISDB,XNMPFDIYAMOYRM-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4,6H,1,5,7H2,2-3H3",C=C(C)C1=CC=C(C)CC1,C10H14,,134.109550448,XNMPFDIYAMOYRM,Terpenoids,Monoterpenoids,,Petroselinum crispum,2485.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Apieae'],['Petroselinum'],['Petroselinum crispum'],4,2,7.934038400650024 19000,596,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.44415736,ISDB,SJYNIERRENYANO-PMYXOSJASA-N,"InChI=1S/C31H36O20/c32-6-17-20(38)22(40)24(42)28(50-17)49-15-3-10(1-2-12(15)34)25-23(41)21(39)18-13(35)4-11(5-16(18)48-25)47-29-26(19(37)14(36)7-45-29)51-30-27(43)31(44,8-33)9-46-30/h1-5,14,17,19-20,22,24,26-30,32-38,40-44H,6-9H2/t14-,17-,19+,20-,22+,24-,26-,27+,28-,29+,30+,31-/m1/s1",O=c1c(O)c(-c2ccc(O)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)oc2cc(O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O[C@@H]3OC[C@](O)(CO)[C@H]3O)cc(O)c12,C31H36O20,,728.179993552,SJYNIERRENYANO,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Hyssopus officinalis,880695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Hyssopus'],['Hyssopus officinalis'],4,3,7.276629447937012 18808,595,7,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.21323887,ISDB,PGYAYSRVSAJXTE-CLONMANBSA-N,"InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-22-35-36(5,6)25-33(41)27-38(35,9)43)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)26-34(42)28-39(40,10)44-40/h11-21,23-24,33-34,41-43H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20+/t22?,33-,34-,38+,39+,40-/m0/s1",C/C(C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C,C40H56O4,,600.417860272,PGYAYSRVSAJXTE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Trollius europaeus,805006.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Adonideae'],['Trollius'],['Trollius europaeus'],6,3,8.3529554605484 16996,592,228,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.6251245,ISDB,USMNOWBWPHYOEA-MRTMQBJTSA-N,"InChI=1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-8H,4-5H2,1-3H3/t7-,8-,10+/m1/s1",CC(C)[C@]12CC(=O)[C@H](C)[C@H]1C2,C10H16O,,152.120115132,USMNOWBWPHYOEA,Terpenoids,Monoterpenoids,Thujane monoterpenoids,Catha edulis,282743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Catha'],['Catha edulis'],6,2,9.500498056411743 16943,591,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Parnassia asarifolia,363490.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Parnassia'],['Parnassia asarifolia'],6,3,7.5 16944,591,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-IDRAQACASA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17-,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Tripterygium regelii,483028.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium regelii'],6,3,7.5 16945,591,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Monteverdia ilicifolia,433235.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Monteverdia'],['Monteverdia ilicifolia'],6,3,7.5 16946,591,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-UHFFFAOYSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799999,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Monteverdia truncata,7054806.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Monteverdia'],['Monteverdia truncata'],6,3,7.5 16947,591,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Catha edulis,282743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Catha'],['Catha edulis'],6,3,7.5 16948,591,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Parnassia asarifolia,363490.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Parnassia'],['Parnassia asarifolia'],6,3,7.5 16949,591,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Parnassia palustris,1039565.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Parnassia'],['Parnassia palustris'],6,3,7.5 16950,591,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Parnassia kotzebuei,913623.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Parnassia'],['Parnassia kotzebuei'],6,3,7.5 16951,591,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Parnassia glauca,1079067.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Parnassia'],['Parnassia glauca'],6,3,7.5 16952,591,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Parnassia fimbriata,1035577.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Parnassia'],['Parnassia fimbriata'],6,3,7.5 16953,591,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Parnassia grandifolia,24239.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Parnassia'],['Parnassia grandifolia'],6,3,7.5 16954,591,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Lepuropetalon spathulatum,78653.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Lepuropetalon'],['Lepuropetalon spathulatum'],6,3,7.5 16955,591,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Parnassia caroliniana,7054807.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Parnassia'],['Parnassia caroliniana'],6,3,7.5 16956,591,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-IDRAQACASA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17-,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Tripterygium wilfordii,300831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium wilfordii'],6,3,7.5 16957,591,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-IDRAQACASA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17-,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Tripterygium regelii,483028.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium regelii'],6,3,7.5 16958,591,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Monteverdia ilicifolia,433235.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Monteverdia'],['Monteverdia ilicifolia'],6,3,7.5 16959,591,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-UHFFFAOYSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799999,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Monteverdia truncata,7054806.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Monteverdia'],['Monteverdia truncata'],6,3,7.5 16960,591,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Catha edulis,282743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Catha'],['Catha edulis'],6,3,7.5 16961,591,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-IDRAQACASA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17-,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Tripterygium wilfordii,300831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium wilfordii'],6,3,7.5 16962,591,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,DCYOADKBABEMIQ-OWMUPTOHSA-N,"InChI=1S/C21H20O12/c1-6-14(26)17(29)18(30)21(31-6)33-20-16(28)13-9(23)4-8(22)5-12(13)32-19(20)7-2-10(24)15(27)11(25)3-7/h2-6,14,17-18,21-27,29-30H,1H3/t6-,14-,17+,18+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3cc(O)c(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O12,pos_1_1proton,464.0954760799998,DCYOADKBABEMIQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Catha edulis,282743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Catha'],['Catha edulis'],6,3,7.5 16963,591,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Parnassia caroliniana,7054807.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Parnassia'],['Parnassia caroliniana'],6,3,7.5 16964,591,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Parnassia grandifolia,24239.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Parnassia'],['Parnassia grandifolia'],6,3,7.5 16965,591,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Parnassia palustris,1039565.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Parnassia'],['Parnassia palustris'],6,3,7.5 16966,591,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Parnassia kotzebuei,913623.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Parnassia'],['Parnassia kotzebuei'],6,3,7.5 16967,591,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Parnassia glauca,1079067.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Parnassia'],['Parnassia glauca'],6,3,7.5 16968,591,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Parnassia fimbriata,1035577.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Parnassia'],['Parnassia fimbriata'],6,3,7.5 16969,591,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Parnassia grandifolia,24239.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Parnassia'],['Parnassia grandifolia'],6,3,7.5 16970,591,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Lepuropetalon spathulatum,78653.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Lepuropetalon'],['Lepuropetalon spathulatum'],6,3,7.5 16971,591,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Parnassia caroliniana,7054807.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Parnassia'],['Parnassia caroliniana'],6,3,7.5 16972,591,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-IDRAQACASA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17-,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Tripterygium wilfordii,300831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium wilfordii'],6,3,7.5 16973,591,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-IDRAQACASA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17-,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Tripterygium regelii,483028.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium regelii'],6,3,7.5 16974,591,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Monteverdia ilicifolia,433235.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Monteverdia'],['Monteverdia ilicifolia'],6,3,7.5 16975,591,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-UHFFFAOYSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799999,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Monteverdia truncata,7054806.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Monteverdia'],['Monteverdia truncata'],6,3,7.5 16976,591,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Catha edulis,282743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Catha'],['Catha edulis'],6,3,7.5 16977,591,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Parnassia asarifolia,363490.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Parnassia'],['Parnassia asarifolia'],6,3,7.5 16978,591,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Parnassia palustris,1039565.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Parnassia'],['Parnassia palustris'],6,3,7.5 16979,591,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Parnassia kotzebuei,913623.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Parnassia'],['Parnassia kotzebuei'],6,3,7.5 16980,591,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Parnassia glauca,1079067.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Parnassia'],['Parnassia glauca'],6,3,7.5 16981,591,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Parnassia fimbriata,1035577.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Parnassia'],['Parnassia fimbriata'],6,3,7.5 16982,591,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Lepuropetalon spathulatum,78653.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Lepuropetalon'],['Lepuropetalon spathulatum'],6,3,7.5 16983,591,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,DCYOADKBABEMIQ-OWMUPTOHSA-N,"InChI=1S/C21H20O12/c1-6-14(26)17(29)18(30)21(31-6)33-20-16(28)13-9(23)4-8(22)5-12(13)32-19(20)7-2-10(24)15(27)11(25)3-7/h2-6,14,17-18,21-27,29-30H,1H3/t6-,14-,17+,18+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3cc(O)c(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O12,pos_1_1proton,464.0954760799998,DCYOADKBABEMIQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Catha edulis,282743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Catha'],['Catha edulis'],6,3,7.5 14969,590,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.8056568,ISDB,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euonymus alatus,601141.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus alatus'],8,3,12.72262716293335 14968,587,178,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Scabiosa comosa,984352.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Scabiosa'],['Scabiosa comosa'],6,3,7.5 14966,581,372,Terpenoids,Diterpenoids,,0.0,MS1_match,USMYUFNGIMZGOD-VVYIQUKOSA-N,"InChI=1S/C32H56O14/c1-29(2)17-6-10-31(4)18(30(17,3)9-8-19(29)44-27-25(40)23(38)21(36)15(12-33)42-27)7-11-32(5,46-31)20(14-35)45-28-26(41)24(39)22(37)16(13-34)43-28/h15-28,33-41H,6-14H2,1-5H3/t15-,16-,17-,18+,19-,20+,21-,22-,23+,24+,25-,26-,27+,28+,30-,31+,32-/m1/s1",CC1(C)[C@H]2CC[C@]3(C)O[C@@](C)([C@H](CO)O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)CC[C@H]3[C@]2(C)CC[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C32H56O14,pos_2_2sodium,664.367006472,USMYUFNGIMZGOD,Terpenoids,Diterpenoids,,Microtropis japonica,828316.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Microtropis'],['Microtropis japonica'],6,2,7.0 14967,581,372,Terpenoids,Diterpenoids,,0.0,MS1_match,UGXGNDFGUYJPTJ-SVVOPOECSA-N,"InChI=1S/C32H56O14/c1-29(2)17-6-10-31(4)18(30(17,3)9-8-20(29)45-28-26(41)24(39)22(37)16(13-34)44-28)7-11-32(5,46-31)19(35)14-42-27-25(40)23(38)21(36)15(12-33)43-27/h15-28,33-41H,6-14H2,1-5H3/t15-,16-,17-,18+,19+,20-,21-,22-,23+,24+,25-,26-,27-,28+,30-,31+,32-/m1/s1",CC1(C)[C@H]2CC[C@]3(C)O[C@@](C)([C@@H](O)CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)CC[C@H]3[C@]2(C)CC[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C32H56O14,pos_2_2sodium,664.367006472,UGXGNDFGUYJPTJ,Terpenoids,Diterpenoids,,Microtropis japonica,828316.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Microtropis'],['Microtropis japonica'],6,2,7.0 14962,580,-1,,,,0.0,MS1_match,QJVXKWHHAMZTBY-CZZVJJMOSA-N,"InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3-/t12-,13-,14+,15-,17+/m1/s1",COc1cc(/C=C\CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H24O9,pos_1_1proton1ammonium,372.1420323479999,QJVXKWHHAMZTBY,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Salacia chinensis,380833.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Salacia'],['Salacia chinensis'],6,0,6.0 14963,580,-1,,,,0.0,MS1_match,QJVXKWHHAMZTBY-CZZVJJMOSA-N,"InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3-/t12-,13-,14+,15-,17+/m1/s1",COc1cc(/C=C\CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H24O9,pos_1_1proton1ammonium,372.1420323479999,QJVXKWHHAMZTBY,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Salacia chinensis,380833.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Salacia'],['Salacia chinensis'],6,0,6.0 14964,580,-1,,,,0.0,MS1_match,VELYAQRXBJLJAK-XKKWFBPMSA-N,"InChI=1S/C15H24O9/c1-15(21)4-7(17)6-2-3-22-13(9(6)15)24-14-12(20)11(19)10(18)8(5-16)23-14/h2-3,6-14,16-21H,4-5H2,1H3/t6-,7+,8+,9+,10+,11-,12+,13-,14-,15-/m0/s1",C[C@]1(O)C[C@@H](O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]21,C15H24O9,pos_1_1proton1acetonitrile,348.142032348,VELYAQRXBJLJAK,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Monteverdia laevis,6092971.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Monteverdia'],['Monteverdia laevis'],6,0,6.0 14965,580,-1,,,,0.0,MS1_match,VELYAQRXBJLJAK-XKKWFBPMSA-N,"InChI=1S/C15H24O9/c1-15(21)4-7(17)6-2-3-22-13(9(6)15)24-14-12(20)11(19)10(18)8(5-16)23-14/h2-3,6-14,16-21H,4-5H2,1H3/t6-,7+,8+,9+,10+,11-,12+,13-,14-,15-/m0/s1",C[C@]1(O)C[C@@H](O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]21,C15H24O9,pos_1_1proton1acetonitrile,348.142032348,VELYAQRXBJLJAK,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Monteverdia laevis,6092971.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Monteverdia'],['Monteverdia laevis'],6,0,6.0 14927,579,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.81009275,ISDB,SYFFHZSTXDTJOS-VXYATBKXSA-N,"InChI=1S/C33H40O21/c1-9-19(38)23(42)26(45)31(50-9)48-7-16-20(39)24(43)27(46)32(52-16)49-8-17-21(40)25(44)28(47)33(53-17)54-30-22(41)18-14(37)5-11(34)6-15(18)51-29(30)10-2-3-12(35)13(36)4-10/h2-6,9,16-17,19-21,23-28,31-40,42-47H,7-8H2,1H3/t9-,16-,17-,19-,20-,21+,23+,24+,25+,26+,27-,28-,31-,32-,33+/m0/s1",C[C@@H]1O[C@H](OC[C@@H]2O[C@H](OC[C@@H]3O[C@H](Oc4c(-c5ccc(O)c(O)c5)oc5cc(O)cc(O)c5c4=O)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C33H40O21,,772.2062083,SYFFHZSTXDTJOS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Albizia lebbeck,555517.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Ingeae'],['Albizia'],['Albizia lebbeck'],4,3,8.740370988845825 14928,579,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.81009275,ISDB,SYFFHZSTXDTJOS-OQNXJHIZSA-N,"InChI=1S/C33H40O21/c1-9-19(38)23(42)26(45)31(50-9)48-7-16-20(39)24(43)27(46)32(52-16)49-8-17-21(40)25(44)28(47)33(53-17)54-30-22(41)18-14(37)5-11(34)6-15(18)51-29(30)10-2-3-12(35)13(36)4-10/h2-6,9,16-17,19-21,23-28,31-40,42-47H,7-8H2,1H3/t9-,16+,17+,19-,20+,21+,23+,24-,25-,26+,27+,28+,31+,32+,33?/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC[C@H]3OC(Oc4c(-c5ccc(O)c(O)c5)oc5cc(O)cc(O)c5c4=O)[C@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C33H40O21,,772.2062083,SYFFHZSTXDTJOS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Capparis spinosa,97170.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Capparaceae'],['Unknown'],['Capparis'],['Capparis spinosa'],4,3,8.740370988845825 14925,578,100,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,BVEVSYQMQABMQM-UHFFFAOYSA-N,"InChI=1S/C21H36O11/c1-19(2)9-4-12(20(19,3)5-10(9)23)32-17-15(26)14(25)13(24)11(31-17)6-29-18-16(27)21(28,7-22)8-30-18/h9-18,22-28H,4-8H2,1-3H3",CC1(C)C2CC(OC3OC(COC4OCC(O)(CO)C4O)C(O)C(O)C3O)C1(C)CC2O,C21H36O11,pos_1_sodium,464.225761972,BVEVSYQMQABMQM,Terpenoids,Monoterpenoids,Camphane monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,1,6.5 14926,578,100,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,SFDNWSCFCRWISC-GNMWDIMASA-N,"InChI=1S/C21H36O11/c1-19(2)10-4-5-20(3,32-19)12(6-10)31-17-15(25)14(24)13(23)11(30-17)7-28-18-16(26)21(27,8-22)9-29-18/h10-18,22-27H,4-9H2,1-3H3/t10-,11-,12+,13-,14+,15-,16+,17+,18-,20+,21-/m1/s1",CC1(C)O[C@@]2(C)CC[C@@H]1C[C@@H]2O[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C21H36O11,pos_1_sodium,464.225761972,SFDNWSCFCRWISC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Celastrus orbiculatus,56757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Celastrus'],['Celastrus orbiculatus'],6,1,6.5 14897,574,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.8282489,ISDB,JLZABDZBCSSSEW-SDRDYGDLSA-N,"InChI=1S/C32H38O19/c1-11-19(37)23(41)27(51-31-28(43)32(44,9-33)10-46-31)30(47-11)45-8-17-20(38)22(40)24(42)29(49-17)50-26-21(39)18-15(36)6-14(35)7-16(18)48-25(26)12-2-4-13(34)5-3-12/h2-7,11,17,19-20,22-24,27-31,33-38,40-44H,8-10H2,1H3/t11-,17+,19-,20-,22-,23+,24+,27+,28-,29-,30+,31-,32+/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@H](O)[C@H]1O,C32H38O19,,726.200728996,JLZABDZBCSSSEW,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Chenopodium quinoa,117198.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Chenopodiaceae'],['Atripliceae'],['Chenopodium'],['Chenopodium quinoa'],4,3,8.812995672225952 14896,573,841,Terpenoids,Monoterpenoids,Camphane monoterpenoids,0.0,MS1_match,BVEVSYQMQABMQM-UHFFFAOYSA-N,"InChI=1S/C21H36O11/c1-19(2)9-4-12(20(19,3)5-10(9)23)32-17-15(26)14(25)13(24)11(31-17)6-29-18-16(27)21(28,7-22)8-30-18/h9-18,22-28H,4-8H2,1-3H3",CC1(C)C2CC(OC3OC(COC4OCC(O)(CO)C4O)C(O)C(O)C3O)C1(C)CC2O,C21H36O11,pos_1_1proton1ammonium,464.225761972,BVEVSYQMQABMQM,Terpenoids,Monoterpenoids,Camphane monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,3,7.5 14832,570,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.80374086,ISDB,FDCQKWPSJZNODX-KIRCKWRKSA-N,"InChI=1S/C33H40O20/c1-10-19(37)23(41)26(44)31(49-10)47-8-16-20(38)24(42)27(45)32(51-16)48-9-17-21(39)25(43)28(46)33(52-17)53-30-22(40)18-14(36)6-13(35)7-15(18)50-29(30)11-2-4-12(34)5-3-11/h2-7,10,16-17,19-21,23-28,31-39,41-46H,8-9H2,1H3/t10-,16-,17-,19-,20-,21+,23+,24+,25+,26+,27-,28-,31-,32-,33+/m0/s1",C[C@@H]1O[C@H](OC[C@@H]2O[C@H](OC[C@@H]3O[C@H](Oc4c(-c5ccc(O)cc5)oc5cc(O)cc(O)c5c4=O)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C33H40O20,,756.21129368,FDCQKWPSJZNODX,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Albizia lebbeck,555517.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Ingeae'],['Albizia'],['Albizia lebbeck'],4,3,8.714963436126709 14825,569,116,Alkaloids,Ornithine alkaloids,Polyamines,0.55563307,ISDB,JIRJLWLQLDLWSW-XNDBBLGPSA-N,"InChI=1S/C25H47N3O/c1-19-10-11-21-24(3)22(20-18-25(19,21)13-12-23(20,2)29-24)26-14-7-8-16-28(6)17-9-15-27(4)5/h19-22,26H,7-18H2,1-6H3/t19-,20-,21-,22+,23-,24+,25+/m1/s1",C[C@@H]1CC[C@H]2[C@]13CC[C@@]1(C)O[C@]2(C)[C@@H](NCCCCN(C)CCCN(C)C)[C@H]1C3,C25H47N3O,,405.371913124,JIRJLWLQLDLWSW,Alkaloids,Pseudoalkaloids,,Chaetosphaeronema hispidulum,1049011.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Dothideomycetes'],['Pleosporales'],['Phaeosphaeriaceae'],['Unknown'],['Chaetosphaeronema'],['Chaetosphaeronema hispidulum'],1,1,3.722532272338867 13012,567,228,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.64562577,ISDB,USMNOWBWPHYOEA-MRTMQBJTSA-N,"InChI=1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-8H,4-5H2,1-3H3/t7-,8-,10+/m1/s1",CC(C)[C@]12CC(=O)[C@H](C)[C@H]1C2,C10H16O,,152.120115132,USMNOWBWPHYOEA,Terpenoids,Monoterpenoids,Thujane monoterpenoids,Catha edulis,282743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Catha'],['Catha edulis'],6,2,9.582503080368042 12990,565,1768,Carbohydrates,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1potassium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Dipsacus asper,365911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Dipsacus'],['Dipsacus asper'],6,3,7.5 12991,565,1768,Carbohydrates,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1potassium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Dipsacus inermis,776357.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Dipsacus'],['Dipsacus inermis'],6,3,7.5 12992,565,1768,Carbohydrates,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1potassium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Cephalaria procera,6061197.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Cephalaria'],['Cephalaria procera'],6,3,7.5 12993,565,1768,Carbohydrates,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1potassium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Cephalaria kotschyi,6061197.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Cephalaria'],['Cephalaria procera'],6,3,7.5 12994,565,1768,Carbohydrates,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1potassium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Cephalaria nachiczevanica,6061192.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Cephalaria'],['Cephalaria nachiczevanica'],6,3,7.5 12995,565,1768,Carbohydrates,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1potassium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Dipsacus asper,365911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Dipsacus'],['Dipsacus asper'],6,3,7.5 12996,565,1768,Carbohydrates,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1potassium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Dipsacus inermis,776357.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Dipsacus'],['Dipsacus inermis'],6,3,7.5 12997,565,1768,Carbohydrates,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1potassium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Cephalaria procera,6061197.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Cephalaria'],['Cephalaria procera'],6,3,7.5 12998,565,1768,Carbohydrates,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1potassium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Cephalaria kotschyi,6061197.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Cephalaria'],['Cephalaria procera'],6,3,7.5 12999,565,1768,Carbohydrates,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1potassium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Cephalaria nachiczevanica,6061192.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Cephalaria'],['Cephalaria nachiczevanica'],6,3,7.5 12989,563,80,Terpenoids,Tryptophan alkaloids,Carbazole alkaloids,0.23228326,ISDB,,,,,,,VXLKXBLTTPCBMV,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.9291330575942993 12987,562,50,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RNVUDWOQYYWXBJ-IEGSVRCHSA-N,"InChI=1S/C20H18O10/c21-9-3-1-8(2-4-9)18-19(30-20-17(27)15(25)12(24)7-28-20)16(26)14-11(23)5-10(22)6-13(14)29-18/h1-6,12,15,17,20-25,27H,7H2/t12-,15-,17+,20-/m0/s1",O=c1c(O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C20H18O10,pos_2_1proton1sodium,418.089996776,RNVUDWOQYYWXBJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Parnassia grandifolia,24239.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Parnassia'],['Parnassia grandifolia'],6,3,7.5 12988,562,50,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RNVUDWOQYYWXBJ-IEGSVRCHSA-N,"InChI=1S/C20H18O10/c21-9-3-1-8(2-4-9)18-19(30-20-17(27)15(25)12(24)7-28-20)16(26)14-11(23)5-10(22)6-13(14)29-18/h1-6,12,15,17,20-25,27H,7H2/t12-,15-,17+,20-/m0/s1",O=c1c(O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C20H18O10,pos_2_1proton1sodium,418.089996776,RNVUDWOQYYWXBJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Parnassia grandifolia,24239.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Parnassia'],['Parnassia grandifolia'],6,3,7.5 12982,561,80,Terpenoids,Tryptophan alkaloids,Carbazole alkaloids,0.6012038,ISDB,BDUAKLHVCJVMNM-UHFFFAOYSA-N,"InChI=1S/C36H38N4O5/c1-9-20-16(3)23-13-25-18(5)22(11-12-29(41)44-7)33(39-25)31-32(36(43)45-8)35(42)30-19(6)26(40-34(30)31)15-28-21(10-2)17(4)24(38-28)14-27(20)37-23/h9,13-15,18,22,32,37-38H,1,10-12H2,2-8H3",C=Cc1c(C)c2cc3nc(c4c5nc(cc6[nH]c(cc1[nH]2)c(C)c6CC)C(C)=C5C(=O)C4C(=O)OC)C(CCC(=O)OC)C3C,C36H38N4O5,,606.2842203160001,BDUAKLHVCJVMNM,Alkaloids,Tryptophan alkaloids,Carbazole alkaloids,Clerodendrum cyrtophyllum,886107.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Clerodendrum'],['Clerodendrum cyrtophyllum'],4,3,7.904815196990967 12983,561,80,Terpenoids,Tryptophan alkaloids,Carbazole alkaloids,0.6012038,ISDB,BDUAKLHVCJVMNM-UHFFFAOYSA-N,"InChI=1S/C36H38N4O5/c1-9-20-16(3)23-13-25-18(5)22(11-12-29(41)44-7)33(39-25)31-32(36(43)45-8)35(42)30-19(6)26(40-34(30)31)15-28-21(10-2)17(4)24(38-28)14-27(20)37-23/h9,13-15,18,22,32,37-38H,1,10-12H2,2-8H3",C=Cc1c(C)c2cc3nc(c4c5nc(cc6[nH]c(cc1[nH]2)c(C)c6CC)C(C)=C5C(=O)C4C(=O)OC)C(CCC(=O)OC)C3C,C36H38N4O5,,606.2842203160001,BDUAKLHVCJVMNM,Alkaloids,Tryptophan alkaloids,Carbazole alkaloids,Clerodendrum calamitosum,6086132.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Clerodendrum'],['Clerodendrum calamitosum'],4,3,7.904815196990967 12782,560,-1,,,,0.35621634,ISDB,XMLSXPIVAXONDL-PLNGDYQASA-N,"InChI=1S/C11H16O/c1-3-4-5-6-10-9(2)7-8-11(10)12/h4-5H,3,6-8H2,1-2H3/b5-4-",CC/C=C\CC1=C(C)CCC1=O,C11H16O,,164.120115132,XMLSXPIVAXONDL,Fatty acids,Octadecanoids,Jasmonic acids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,8.424865365028381 12764,559,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,UASMTJSLCCDICT-UHFFFAOYSA-N,"InChI=1S/C13H18O2/c1-9-3-2-4-11(13(14)15)8-12-7-10(12)6-5-9/h3,8,10,12H,2,4-7H2,1H3,(H,14,15)",CC1=CCCC(C(=O)O)=CC2CC2CC1,C13H18O2,pos_1_1proton,206.130679816,UASMTJSLCCDICT,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,2,7.0 12765,559,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,UASMTJSLCCDICT-UHFFFAOYSA-N,"InChI=1S/C13H18O2/c1-9-3-2-4-11(13(14)15)8-12-7-10(12)6-5-9/h3,8,10,12H,2,4-7H2,1H3,(H,14,15)",CC1=CCCC(C(=O)O)=CC2CC2CC1,C13H18O2,pos_1_1proton,206.130679816,UASMTJSLCCDICT,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,Valeriana dageletiana,7625130.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana dageletiana'],6,2,7.0 12766,559,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,MJGSNPALXVHNAT-RJEOBRGXSA-N,"InChI=1S/C26H36O4/c1-18-13-14-22(29-19(2)27)25(5)23(16-21-17-26(18,25)30-24(21,3)4)28-15-9-12-20-10-7-6-8-11-20/h6-12,18,21-23H,13-17H2,1-5H3/b12-9+/t18-,21-,22+,23+,25+,26+/m1/s1",CC(=O)O[C@H]1CC[C@@H](C)[C@@]23C[C@@H](C[C@H](OC/C=C/c4ccccc4)[C@]12C)C(C)(C)O3,C26H36O4,pos_2_2proton,412.261359632,MJGSNPALXVHNAT,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Celastrus orbiculatus,56757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Celastrus'],['Celastrus orbiculatus'],6,2,7.0 12758,558,101,Polyketides,Phenylpropanoids (C6-C3),Furans,0.0,MS1_match,NOEGNKMFWQHSLB-UHFFFAOYSA-N,"InChI=1S/C6H6O3/c7-3-5-1-2-6(4-8)9-5/h1-3,8H,4H2",O=Cc1ccc(CO)o1,C6H6O3,pos_1_1proton,126.031694052,NOEGNKMFWQHSLB,Polyketides,Cyclic polyketides,Furans,Hydrastis canadensis,1072050.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Hydrastis'],['Hydrastis canadensis'],6,3,7.5 12668,557,135,Terpenoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RUVINXPYWBROJD-ONEGZZNKSA-N,"InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3/b4-3+",C/C=C/c1ccc(OC)cc1,C10H12O,pos_1_1proton1methanol,148.088815004,RUVINXPYWBROJD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Nigella sativa,142360.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Nigelleae'],['Nigella'],['Nigella sativa'],6,3,7.5 12669,557,135,Terpenoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RUVINXPYWBROJD-UHFFFAOYSA-N,"InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3",CC=Cc1ccc(OC)cc1,C10H12O,pos_1_1proton1methanol,148.088815004,RUVINXPYWBROJD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,3,7.5 12670,557,135,Terpenoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ZFMSMUAANRJZFM-UHFFFAOYSA-N,"InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3,5-8H,1,4H2,2H3",C=CCc1ccc(OC)cc1,C10H12O,pos_1_1proton1methanol,148.088815004,ZFMSMUAANRJZFM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Nigella sativa,142360.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Nigelleae'],['Nigella'],['Nigella sativa'],6,3,7.5 12654,553,-1,,,,0.26590207,ISDB,DLPOANDLVJHGGA-SSDOTTSWSA-N,"InChI=1S/C10H10N2O2/c11-10(14)7-5-9(13)12-8-4-2-1-3-6(7)8/h1-4,7H,5H2,(H2,11,14)(H,12,13)/t7-/m1/s1",NC(=O)[C@@H]1CC(=O)Nc2ccccc21,C10H10N2O2,,190.07422756,DLPOANDLVJHGGA,Alkaloids,,,Isatis tinctoria,631500.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Isatideae'],['Isatis'],['Isatis tinctoria'],4,0,5.063608288764954 12575,551,-1,,,,0.0,MS1_match,CRZQGDNQQAALAY-UHFFFAOYSA-N,"InChI=1S/C9H10O2/c1-11-9(10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3",COC(=O)Cc1ccccc1,C9H10O2,pos_1_1proton1methanol,150.06807956,CRZQGDNQQAALAY,Shikimates and Phenylpropanoids,,,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 12574,550,-1,,,,0.0,MS1_match,VNDMFSADMLFAMF-UHFFFAOYSA-N,"InChI=1S/C22H29NO6/c1-10-6-21(19(28)29-4)13-5-12(10)15(25)14(21)17-22(13)8-11(24)7-20(2,9-23(17)3)16(22)18(26)27/h11-14,16-17,24H,1,5-9H2,2-4H3,(H,26,27)",C=C1CC2(C(=O)OC)C3C(=O)C1CC2C12CC(O)CC(C)(CN(C)C31)C2C(=O)O,C22H29NO6,pos_1_1proton1ammonium,403.199487648,VNDMFSADMLFAMF,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum vilmorinianum,976183.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum vilmorinianum'],6,0,6.0 12573,548,-1,,,,0.0,MS1_match,PRCDDNKVZQBPNG-YBWZTWLNSA-N,"InChI=1S/C18H30O3/c1-11-9-14(20-12(2)19)15-17(11,5)10-13-7-8-18(15,6)21-16(13,3)4/h11,13-15H,7-10H2,1-6H3/t11-,13-,14-,15-,17-,18+/m1/s1",CC(=O)O[C@@H]1C[C@@H](C)[C@@]2(C)C[C@H]3CC[C@](C)(OC3(C)C)[C@H]12,C18H30O3,pos_1_sodium,294.21949482,PRCDDNKVZQBPNG,Terpenoids,Sesquiterpenoids,,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 12563,547,72,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.6345612,ISDB,CQKNELOTFUSOTP-HMTIOLNVSA-N,"InChI=1S/C18H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16(19)15-20/h10-11,16-18,20-22H,2-9,12-15,19H2,1H3/b11-10+/t16-,17+,18-/m0/s1",CCCCCCCCC/C=C/CCC[C@@H](O)[C@@H](O)[C@@H](N)CO,C18H37NO3,,315.277344044,CQKNELOTFUSOTP,Fatty acids,Sphingolipids,Sphingoid bases,Averrhoa bilimbi,829006.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Oxalidales'],['Oxalidaceae'],['Unknown'],['Averrhoa'],['Averrhoa bilimbi'],4,2,7.538244724273682 12564,547,72,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.6345612,ISDB,CQKNELOTFUSOTP-HMTIOLNVSA-N,"InChI=1S/C18H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16(19)15-20/h10-11,16-18,20-22H,2-9,12-15,19H2,1H3/b11-10+/t16-,17+,18-/m0/s1",CCCCCCCCC/C=C/CCC[C@@H](O)[C@@H](O)[C@@H](N)CO,C18H37NO3,,315.277344044,CQKNELOTFUSOTP,Fatty acids,Sphingolipids,Sphingoid bases,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],4,2,7.538244724273682 12549,545,1716,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.2806678,ISDB,SVHAKFJIIYNECQ-UNMGPXMVSA-N,"InChI=1S/C29H48O4/c1-24(2)11-13-29(16-24)14-12-27(5)18(22(29)32)7-8-21-25(3)15-19(31)23(33)26(4,17-30)20(25)9-10-28(21,27)6/h7,19-23,30-33H,8-17H2,1-6H3/t19-,20-,21-,22-,23+,25+,26+,27-,28-,29+/m1/s1",CC1(C)CC[C@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@H]2O)C1,C29H48O4,,460.355260016,SVHAKFJIIYNECQ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Phlomoides umbrosa,7054124.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Phlomideae'],['Phlomoides'],['Phlomoides umbrosa'],4,3,6.6226712465286255 12545,541,-1,,,,0.0,MS1_match,QJVXKWHHAMZTBY-CZZVJJMOSA-N,"InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3-/t12-,13-,14+,15-,17+/m1/s1",COc1cc(/C=C\CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H24O9,pos_1_sodium,372.1420323479999,QJVXKWHHAMZTBY,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Salacia chinensis,380833.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Salacia'],['Salacia chinensis'],6,0,6.0 12546,541,-1,,,,0.0,MS1_match,QJVXKWHHAMZTBY-CZZVJJMOSA-N,"InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3-/t12-,13-,14+,15-,17+/m1/s1",COc1cc(/C=C\CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H24O9,pos_1_sodium,372.1420323479999,QJVXKWHHAMZTBY,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Salacia chinensis,380833.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Salacia'],['Salacia chinensis'],6,0,6.0 12533,540,72,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.63882375,ISDB,AERBNCYCJBRYDG-KSZLIROESA-N,"InChI=1S/C18H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16(19)15-20/h16-18,20-22H,2-15,19H2,1H3/t16-,17+,18-/m0/s1",CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@@H](N)CO,C18H39NO3,,317.292994108,AERBNCYCJBRYDG,Fatty acids,Sphingolipids,Sphingoid bases,Vitis vinifera,756728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Vitales'],['Vitaceae'],['Viteae'],['Vitis'],['Vitis vinifera'],4,2,7.555294990539551 12534,540,72,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.63882375,ISDB,AERBNCYCJBRYDG-KSZLIROESA-N,"InChI=1S/C18H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16(19)15-20/h16-18,20-22H,2-15,19H2,1H3/t16-,17+,18-/m0/s1",CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@@H](N)CO,C18H39NO3,,317.292994108,AERBNCYCJBRYDG,Fatty acids,Sphingolipids,Sphingoid bases,Averrhoa bilimbi,829006.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Oxalidales'],['Oxalidaceae'],['Unknown'],['Averrhoa'],['Averrhoa bilimbi'],4,2,7.555294990539551 12535,540,72,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.63882375,ISDB,AERBNCYCJBRYDG-KSZLIROESA-N,"InChI=1S/C18H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16(19)15-20/h16-18,20-22H,2-15,19H2,1H3/t16-,17+,18-/m0/s1",CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@@H](N)CO,C18H39NO3,,317.292994108,AERBNCYCJBRYDG,Fatty acids,Sphingolipids,Sphingoid bases,Asparagus officinalis,748359.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Asparagaceae'],['Unknown'],['Asparagus'],['Asparagus officinalis'],4,2,7.555294990539551 12527,533,24,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.4431483,ISDB,ZTTWSILEGFVQPN-CQALACEOSA-N,"InChI=1S/C31H48O/c1-19(2)31-16-11-20(3)21(4)27(31)24-9-10-26-28(6)14-13-25(32)22(5)23(28)12-15-30(26,8)29(24,7)17-18-31/h9,20-21,23,25-27,32H,1,5,10-18H2,2-4,6-8H3/t20-,21+,23+,25+,26-,27+,28+,29-,30-,31-/m1/s1",C=C1[C@@H](O)CC[C@]2(C)[C@H]3CC=C4[C@@H]5[C@@H](C)[C@H](C)CC[C@]5(C(=C)C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12,C31H48O,,436.370516156,ZTTWSILEGFVQPN,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Alstonia scholaris,749453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Alstonieae'],['Alstonia'],['Alstonia scholaris'],4,3,7.272593140602112 12380,531,558,Amino acids and Peptides,Small peptides,Aminoacids,0.9194344,ISDB,ODKSFYDXXFIFQN-BYPYZUCNSA-N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1",N=C(N)NCCC[C@H](N)C(=O)O,C6H14N4O2,,174.111675688,ODKSFYDXXFIFQN,Amino acids and Peptides,Small peptides,Aminoacids,Morus indica,307703.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Morus'],['Morus indica'],4,3,9.177737712860107 12381,531,558,Amino acids and Peptides,Small peptides,Aminoacids,0.9194344,ISDB,ODKSFYDXXFIFQN-BYPYZUCNSA-N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1",N=C(N)NCCC[C@H](N)C(=O)O,C6H14N4O2,,174.111675688,ODKSFYDXXFIFQN,Amino acids and Peptides,Small peptides,Aminoacids,Donax grandis,228549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Marantaceae'],['Unknown'],['Donax'],['Donax grandis'],4,3,9.177737712860107 12382,531,558,Amino acids and Peptides,Small peptides,Aminoacids,0.9194344,ISDB,ODKSFYDXXFIFQN-BYPYZUCNSA-N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1",N=C(N)NCCC[C@H](N)C(=O)O,C6H14N4O2,,174.111675688,ODKSFYDXXFIFQN,Amino acids and Peptides,Small peptides,Aminoacids,Gloriosa superba,82472.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Liliales'],['Colchicaceae'],['Unknown'],['Gloriosa'],['Gloriosa superba'],4,3,9.177737712860107 12383,531,558,Amino acids and Peptides,Small peptides,Aminoacids,0.9194344,ISDB,ODKSFYDXXFIFQN-BYPYZUCNSA-N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1",N=C(N)NCCC[C@H](N)C(=O)O,C6H14N4O2,,174.111675688,ODKSFYDXXFIFQN,Amino acids and Peptides,Small peptides,Aminoacids,Dendrobium crumenatum,1008721.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Malaxideae'],['Dendrobium'],['Dendrobium crumenatum'],4,3,9.177737712860107 12384,531,558,Amino acids and Peptides,Small peptides,Aminoacids,0.9194344,ISDB,ODKSFYDXXFIFQN-BYPYZUCNSA-N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1",N=C(N)NCCC[C@H](N)C(=O)O,C6H14N4O2,,174.111675688,ODKSFYDXXFIFQN,Amino acids and Peptides,Small peptides,Aminoacids,Eichhornia crassipes,149965.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Commelinales'],['Pontederiaceae'],['Unknown'],['Eichhornia'],['Eichhornia crassipes'],4,3,9.177737712860107 12385,531,558,Amino acids and Peptides,Small peptides,Aminoacids,0.9194344,ISDB,ODKSFYDXXFIFQN-BYPYZUCNSA-N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1",N=C(N)NCCC[C@H](N)C(=O)O,C6H14N4O2,,174.111675688,ODKSFYDXXFIFQN,Amino acids and Peptides,Small peptides,Aminoacids,Archontophoenix alexandrae,470310.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Arecales'],['Arecaceae'],['Areceae'],['Archontophoenix'],['Archontophoenix alexandrae'],4,3,9.177737712860107 12386,531,558,Amino acids and Peptides,Small peptides,Aminoacids,0.9194344,ISDB,ODKSFYDXXFIFQN-BYPYZUCNSA-N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1",N=C(N)NCCC[C@H](N)C(=O)O,C6H14N4O2,,174.111675688,ODKSFYDXXFIFQN,Amino acids and Peptides,Small peptides,Aminoacids,Sagittaria sagittifolia,481954.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Alismatales'],['Alismataceae'],['Unknown'],['Sagittaria'],['Sagittaria sagittifolia'],4,3,9.177737712860107 12387,531,558,Amino acids and Peptides,Small peptides,Aminoacids,0.9194344,ISDB,ODKSFYDXXFIFQN-BYPYZUCNSA-N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1",N=C(N)NCCC[C@H](N)C(=O)O,C6H14N4O2,,174.111675688,ODKSFYDXXFIFQN,Amino acids and Peptides,Small peptides,Aminoacids,Areca catechu,180819.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Arecales'],['Arecaceae'],['Areceae'],['Areca'],['Areca catechu'],4,3,9.177737712860107 12388,531,558,Amino acids and Peptides,Small peptides,Aminoacids,0.9194344,ISDB,ODKSFYDXXFIFQN-BYPYZUCNSA-N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1",N=C(N)NCCC[C@H](N)C(=O)O,C6H14N4O2,,174.111675688,ODKSFYDXXFIFQN,Amino acids and Peptides,Small peptides,Aminoacids,Epipremnum pinnatum,473049.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Alismatales'],['Araceae'],['Monstereae'],['Epipremnum'],['Epipremnum pinnatum'],4,3,9.177737712860107 12389,531,558,Amino acids and Peptides,Small peptides,Aminoacids,0.9194344,ISDB,ODKSFYDXXFIFQN-BYPYZUCNSA-N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1",N=C(N)NCCC[C@H](N)C(=O)O,C6H14N4O2,,174.111675688,ODKSFYDXXFIFQN,Amino acids and Peptides,Small peptides,Aminoacids,Oncidium,137617.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Cymbidieae'],['Oncidium'],['Unknown'],4,3,9.177737712860107 12390,531,558,Amino acids and Peptides,Small peptides,Aminoacids,0.9194344,ISDB,ODKSFYDXXFIFQN-BYPYZUCNSA-N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1",N=C(N)NCCC[C@H](N)C(=O)O,C6H14N4O2,,174.111675688,ODKSFYDXXFIFQN,Amino acids and Peptides,Small peptides,Aminoacids,Alpinia galanga,1063872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Alpinia'],['Alpinia galanga'],4,3,9.177737712860107 12391,531,558,Amino acids and Peptides,Small peptides,Aminoacids,0.9194344,ISDB,ODKSFYDXXFIFQN-BYPYZUCNSA-N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1",N=C(N)NCCC[C@H](N)C(=O)O,C6H14N4O2,,174.111675688,ODKSFYDXXFIFQN,Amino acids and Peptides,Small peptides,Aminoacids,Musa cavendishii,207474.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Musaceae'],['Unknown'],['Musa'],['Musa acuminata'],4,3,9.177737712860107 12392,531,558,Amino acids and Peptides,Small peptides,Aminoacids,0.9194344,ISDB,ODKSFYDXXFIFQN-BYPYZUCNSA-N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1",N=C(N)NCCC[C@H](N)C(=O)O,C6H14N4O2,,174.111675688,ODKSFYDXXFIFQN,Amino acids and Peptides,Small peptides,Aminoacids,Cyperus aromaticus,3959943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Cyperaceae'],['Cypereae'],['Cyperus'],['Cyperus aromaticus'],4,3,9.177737712860107 12393,531,558,Amino acids and Peptides,Small peptides,Aminoacids,0.9194344,ISDB,ODKSFYDXXFIFQN-BYPYZUCNSA-N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1",N=C(N)NCCC[C@H](N)C(=O)O,C6H14N4O2,,174.111675688,ODKSFYDXXFIFQN,Amino acids and Peptides,Small peptides,Aminoacids,Cocos nucifera,366250.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Arecales'],['Arecaceae'],['Cocoseae'],['Cocos'],['Cocos nucifera'],4,3,9.177737712860107 12394,531,558,Amino acids and Peptides,Small peptides,Aminoacids,0.9194344,ISDB,ODKSFYDXXFIFQN-BYPYZUCNSA-N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1",N=C(N)NCCC[C@H](N)C(=O)O,C6H14N4O2,,174.111675688,ODKSFYDXXFIFQN,Amino acids and Peptides,Small peptides,Aminoacids,Tacca cristata,1050076.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dioscoreales'],['Taccaceae'],['Unknown'],['Tacca'],['Tacca integrifolia'],4,3,9.177737712860107 12395,531,558,Amino acids and Peptides,Small peptides,Aminoacids,0.9194344,ISDB,ODKSFYDXXFIFQN-BYPYZUCNSA-N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1",N=C(N)NCCC[C@H](N)C(=O)O,C6H14N4O2,,174.111675688,ODKSFYDXXFIFQN,Amino acids and Peptides,Small peptides,Aminoacids,Tacca integrifolia,1050076.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dioscoreales'],['Taccaceae'],['Unknown'],['Tacca'],['Tacca integrifolia'],4,3,9.177737712860107 12396,531,558,Amino acids and Peptides,Small peptides,Aminoacids,0.9194344,ISDB,ODKSFYDXXFIFQN-BYPYZUCNSA-N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1",N=C(N)NCCC[C@H](N)C(=O)O,C6H14N4O2,,174.111675688,ODKSFYDXXFIFQN,Amino acids and Peptides,Small peptides,Aminoacids,Pandanus odorifer,266217.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Pandanales'],['Pandanaceae'],['Unknown'],['Pandanus'],['Pandanus odorifer'],4,3,9.177737712860107 12397,531,558,Amino acids and Peptides,Small peptides,Aminoacids,0.9194344,ISDB,ODKSFYDXXFIFQN-BYPYZUCNSA-N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1",N=C(N)NCCC[C@H](N)C(=O)O,C6H14N4O2,,174.111675688,ODKSFYDXXFIFQN,Amino acids and Peptides,Small peptides,Aminoacids,Alpinia purpurata,573266.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Alpinia'],['Alpinia purpurata'],4,3,9.177737712860107 12398,531,558,Amino acids and Peptides,Small peptides,Aminoacids,0.9194344,ISDB,ODKSFYDXXFIFQN-BYPYZUCNSA-N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1",N=C(N)NCCC[C@H](N)C(=O)O,C6H14N4O2,,174.111675688,ODKSFYDXXFIFQN,Amino acids and Peptides,Small peptides,Aminoacids,Hydrilla verticillata,332061.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Alismatales'],['Hydrocharitaceae'],['Unknown'],['Hydrilla'],['Hydrilla verticillata'],4,3,9.177737712860107 12399,531,558,Amino acids and Peptides,Small peptides,Aminoacids,0.9194344,ISDB,ODKSFYDXXFIFQN-BYPYZUCNSA-N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1",N=C(N)NCCC[C@H](N)C(=O)O,C6H14N4O2,,174.111675688,ODKSFYDXXFIFQN,Amino acids and Peptides,Small peptides,Aminoacids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],4,3,9.177737712860107 12400,531,558,Amino acids and Peptides,Small peptides,Aminoacids,0.9194344,ISDB,ODKSFYDXXFIFQN-BYPYZUCNSA-N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1",N=C(N)NCCC[C@H](N)C(=O)O,C6H14N4O2,,174.111675688,ODKSFYDXXFIFQN,Amino acids and Peptides,Small peptides,Aminoacids,Morus bombycis,210686.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Morus'],['Morus bombycis'],4,3,9.177737712860107 12401,531,558,Amino acids and Peptides,Small peptides,Aminoacids,0.9194344,ISDB,ODKSFYDXXFIFQN-BYPYZUCNSA-N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1",N=C(N)NCCC[C@H](N)C(=O)O,C6H14N4O2,,174.111675688,ODKSFYDXXFIFQN,Amino acids and Peptides,Small peptides,Aminoacids,Morus australis,210689.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Morus'],['Morus australis'],4,3,9.177737712860107 12402,531,558,Amino acids and Peptides,Small peptides,Aminoacids,0.9194344,ISDB,ODKSFYDXXFIFQN-BYPYZUCNSA-N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1",N=C(N)NCCC[C@H](N)C(=O)O,C6H14N4O2,,174.111675688,ODKSFYDXXFIFQN,Amino acids and Peptides,Small peptides,Aminoacids,Cajanus cajan,612448.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Cajanus'],['Cajanus cajan'],4,3,9.177737712860107 12403,531,558,Amino acids and Peptides,Small peptides,Aminoacids,0.9194344,ISDB,ODKSFYDXXFIFQN-BYPYZUCNSA-N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1",N=C(N)NCCC[C@H](N)C(=O)O,C6H14N4O2,,174.111675688,ODKSFYDXXFIFQN,Amino acids and Peptides,Small peptides,Aminoacids,Morus alba,658488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Morus'],['Morus alba'],4,3,9.177737712860107 12404,531,558,Amino acids and Peptides,Small peptides,Aminoacids,0.9194344,ISDB,ODKSFYDXXFIFQN-BYPYZUCNSA-N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1",N=C(N)NCCC[C@H](N)C(=O)O,C6H14N4O2,,174.111675688,ODKSFYDXXFIFQN,Amino acids and Peptides,Small peptides,Aminoacids,Indigofera hirsuta,1011944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Indigofereae'],['Indigofera'],['Indigofera hirsuta'],4,3,9.177737712860107 12405,531,558,Amino acids and Peptides,Small peptides,Aminoacids,0.9194344,ISDB,ODKSFYDXXFIFQN-BYPYZUCNSA-N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1",N=C(N)NCCC[C@H](N)C(=O)O,C6H14N4O2,,174.111675688,ODKSFYDXXFIFQN,Amino acids and Peptides,Small peptides,Aminoacids,Indigofera schimperi,306750.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Indigofereae'],['Indigofera'],['Indigofera schimperi'],4,3,9.177737712860107 12406,531,558,Amino acids and Peptides,Small peptides,Aminoacids,0.9194344,ISDB,ODKSFYDXXFIFQN-BYPYZUCNSA-N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1",N=C(N)NCCC[C@H](N)C(=O)O,C6H14N4O2,,174.111675688,ODKSFYDXXFIFQN,Amino acids and Peptides,Small peptides,Aminoacids,Pisum sativum,359905.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Fabeae'],['Pisum'],['Pisum sativum'],4,3,9.177737712860107 12407,531,558,Amino acids and Peptides,Small peptides,Aminoacids,0.9194344,ISDB,ODKSFYDXXFIFQN-BYPYZUCNSA-N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1",N=C(N)NCCC[C@H](N)C(=O)O,C6H14N4O2,,174.111675688,ODKSFYDXXFIFQN,Amino acids and Peptides,Small peptides,Aminoacids,Indigofera pilosa,3922867.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Indigofereae'],['Indigofera'],['Indigofera pilosa'],4,3,9.177737712860107 12408,531,558,Amino acids and Peptides,Small peptides,Aminoacids,0.9194344,ISDB,ODKSFYDXXFIFQN-BYPYZUCNSA-N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1",N=C(N)NCCC[C@H](N)C(=O)O,C6H14N4O2,,174.111675688,ODKSFYDXXFIFQN,Amino acids and Peptides,Small peptides,Aminoacids,Calendula officinalis,768229.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Calenduleae'],['Calendula'],['Calendula officinalis'],4,3,9.177737712860107 12409,531,558,Amino acids and Peptides,Small peptides,Aminoacids,0.9194344,ISDB,ODKSFYDXXFIFQN-BYPYZUCNSA-N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1",N=C(N)NCCC[C@H](N)C(=O)O,C6H14N4O2,,174.111675688,ODKSFYDXXFIFQN,Amino acids and Peptides,Small peptides,Aminoacids,Telekia speciosa,959562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Telekia'],['Telekia speciosa'],4,3,9.177737712860107 12410,531,558,Amino acids and Peptides,Small peptides,Aminoacids,0.9194344,ISDB,ODKSFYDXXFIFQN-BYPYZUCNSA-N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1",N=C(N)NCCC[C@H](N)C(=O)O,C6H14N4O2,,174.111675688,ODKSFYDXXFIFQN,Amino acids and Peptides,Small peptides,Aminoacids,Astragalus hamosus,626803.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus hamosus'],4,3,9.177737712860107 12411,531,558,Amino acids and Peptides,Small peptides,Aminoacids,0.9194344,ISDB,ODKSFYDXXFIFQN-BYPYZUCNSA-N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1",N=C(N)NCCC[C@H](N)C(=O)O,C6H14N4O2,,174.111675688,ODKSFYDXXFIFQN,Amino acids and Peptides,Small peptides,Aminoacids,Jatropha gossypiifolia,610105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Jatropheae'],['Jatropha'],['Jatropha gossypiifolia'],4,3,9.177737712860107 12412,531,558,Amino acids and Peptides,Small peptides,Aminoacids,0.9194344,ISDB,ODKSFYDXXFIFQN-BYPYZUCNSA-N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1",N=C(N)NCCC[C@H](N)C(=O)O,C6H14N4O2,,174.111675688,ODKSFYDXXFIFQN,Amino acids and Peptides,Small peptides,Aminoacids,Citrus unshiu,1011450.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Citrus'],['Citrus unshiu'],4,3,9.177737712860107 12413,531,558,Amino acids and Peptides,Small peptides,Aminoacids,0.9194344,ISDB,ODKSFYDXXFIFQN-BYPYZUCNSA-N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1",N=C(N)NCCC[C@H](N)C(=O)O,C6H14N4O2,,174.111675688,ODKSFYDXXFIFQN,Amino acids and Peptides,Small peptides,Aminoacids,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],4,3,9.177737712860107 12414,531,558,Amino acids and Peptides,Small peptides,Aminoacids,0.9194344,ISDB,ODKSFYDXXFIFQN-BYPYZUCNSA-N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1",N=C(N)NCCC[C@H](N)C(=O)O,C6H14N4O2,,174.111675688,ODKSFYDXXFIFQN,Amino acids and Peptides,Small peptides,Aminoacids,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],4,3,9.177737712860107 12415,531,558,Amino acids and Peptides,Small peptides,Aminoacids,0.9194344,ISDB,ODKSFYDXXFIFQN-BYPYZUCNSA-N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1",N=C(N)NCCC[C@H](N)C(=O)O,C6H14N4O2,,174.111675688,ODKSFYDXXFIFQN,Amino acids and Peptides,Small peptides,Aminoacids,Citrus deliciosa,83847.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Citrus'],['Citrus deliciosa'],4,3,9.177737712860107 12416,531,558,Amino acids and Peptides,Small peptides,Aminoacids,0.9194344,ISDB,ODKSFYDXXFIFQN-BYPYZUCNSA-N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1",N=C(N)NCCC[C@H](N)C(=O)O,C6H14N4O2,,174.111675688,ODKSFYDXXFIFQN,Amino acids and Peptides,Small peptides,Aminoacids,Citrus reticulata,37136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Citrus'],['Citrus reticulata'],4,3,9.177737712860107 12417,531,558,Amino acids and Peptides,Small peptides,Aminoacids,0.9194344,ISDB,ODKSFYDXXFIFQN-BYPYZUCNSA-N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1",N=C(N)NCCC[C@H](N)C(=O)O,C6H14N4O2,,174.111675688,ODKSFYDXXFIFQN,Amino acids and Peptides,Small peptides,Aminoacids,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],4,3,9.177737712860107 12418,531,558,Amino acids and Peptides,Small peptides,Aminoacids,0.9194344,ISDB,ODKSFYDXXFIFQN-BYPYZUCNSA-N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1",N=C(N)NCCC[C@H](N)C(=O)O,C6H14N4O2,,174.111675688,ODKSFYDXXFIFQN,Amino acids and Peptides,Small peptides,Aminoacids,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],4,3,9.177737712860107 12419,531,558,Amino acids and Peptides,Small peptides,Aminoacids,0.9194344,ISDB,ODKSFYDXXFIFQN-BYPYZUCNSA-N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1",N=C(N)NCCC[C@H](N)C(=O)O,C6H14N4O2,,174.111675688,ODKSFYDXXFIFQN,Amino acids and Peptides,Small peptides,Aminoacids,Diospyros virginiana,525019.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ebenaceae'],['Unknown'],['Diospyros'],['Diospyros virginiana'],4,3,9.177737712860107 12420,531,558,Amino acids and Peptides,Small peptides,Aminoacids,0.9194344,ISDB,ODKSFYDXXFIFQN-BYPYZUCNSA-N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1",N=C(N)NCCC[C@H](N)C(=O)O,C6H14N4O2,,174.111675688,ODKSFYDXXFIFQN,Amino acids and Peptides,Small peptides,Aminoacids,Stratiotes aloides,613170.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Alismatales'],['Hydrocharitaceae'],['Unknown'],['Stratiotes'],['Stratiotes aloides'],4,3,9.177737712860107 12421,531,558,Amino acids and Peptides,Small peptides,Aminoacids,0.9194344,ISDB,ODKSFYDXXFIFQN-BYPYZUCNSA-N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1",N=C(N)NCCC[C@H](N)C(=O)O,C6H14N4O2,,174.111675688,ODKSFYDXXFIFQN,Amino acids and Peptides,Small peptides,Aminoacids,Hydrocharis morsus-ranae,40106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Alismatales'],['Hydrocharitaceae'],['Unknown'],['Hydrocharis'],['Hydrocharis morsus-ranae'],4,3,9.177737712860107 12422,531,558,Amino acids and Peptides,Small peptides,Aminoacids,0.9194344,ISDB,ODKSFYDXXFIFQN-BYPYZUCNSA-N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1",N=C(N)NCCC[C@H](N)C(=O)O,C6H14N4O2,,174.111675688,ODKSFYDXXFIFQN,Amino acids and Peptides,Small peptides,Aminoacids,Stellaria media,432718.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Alsineae'],['Stellaria'],['Stellaria media'],4,3,9.177737712860107 12423,531,558,Amino acids and Peptides,Small peptides,Aminoacids,0.9194344,ISDB,ODKSFYDXXFIFQN-BYPYZUCNSA-N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1",N=C(N)NCCC[C@H](N)C(=O)O,C6H14N4O2,,174.111675688,ODKSFYDXXFIFQN,Amino acids and Peptides,Small peptides,Aminoacids,Pentaclethra macrophylla,788558.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Mimoseae'],['Pentaclethra'],['Pentaclethra macrophylla'],4,3,9.177737712860107 12424,531,558,Amino acids and Peptides,Small peptides,Aminoacids,0.9194344,ISDB,ODKSFYDXXFIFQN-BYPYZUCNSA-N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1",N=C(N)NCCC[C@H](N)C(=O)O,C6H14N4O2,,174.111675688,ODKSFYDXXFIFQN,Amino acids and Peptides,Small peptides,Aminoacids,Treculia africana,1090387.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Treculia'],['Treculia africana'],4,3,9.177737712860107 12425,531,558,Amino acids and Peptides,Small peptides,Aminoacids,0.9194344,ISDB,ODKSFYDXXFIFQN-BYPYZUCNSA-N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1",N=C(N)NCCC[C@H](N)C(=O)O,C6H14N4O2,,174.111675688,ODKSFYDXXFIFQN,Amino acids and Peptides,Small peptides,Aminoacids,Colchicum trigynum,685388.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Liliales'],['Colchicaceae'],['Unknown'],['Colchicum'],['Colchicum trigynum'],4,3,9.177737712860107 12426,531,558,Amino acids and Peptides,Small peptides,Aminoacids,0.9194344,ISDB,ODKSFYDXXFIFQN-BYPYZUCNSA-N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1",N=C(N)NCCC[C@H](N)C(=O)O,C6H14N4O2,,174.111675688,ODKSFYDXXFIFQN,Amino acids and Peptides,Small peptides,Aminoacids,Spermacoce pusilla,3871913.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Spermacoceae'],['Spermacoce'],['Spermacoce pusilla'],4,3,9.177737712860107 12427,531,558,Amino acids and Peptides,Small peptides,Aminoacids,0.9194344,ISDB,ODKSFYDXXFIFQN-BYPYZUCNSA-N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1",N=C(N)NCCC[C@H](N)C(=O)O,C6H14N4O2,,174.111675688,ODKSFYDXXFIFQN,Amino acids and Peptides,Small peptides,Aminoacids,Senna obtusifolia,335059.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Senna'],['Senna obtusifolia'],4,3,9.177737712860107 12428,531,558,Amino acids and Peptides,Small peptides,Aminoacids,0.9194344,ISDB,ODKSFYDXXFIFQN-BYPYZUCNSA-N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1",N=C(N)NCCC[C@H](N)C(=O)O,C6H14N4O2,,174.111675688,ODKSFYDXXFIFQN,Amino acids and Peptides,Small peptides,Aminoacids,Stachys officinalis,103745.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Betonica'],['Betonica officinalis'],4,3,9.177737712860107 12429,531,558,Amino acids and Peptides,Small peptides,Aminoacids,0.9194344,ISDB,ODKSFYDXXFIFQN-BYPYZUCNSA-N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1",N=C(N)NCCC[C@H](N)C(=O)O,C6H14N4O2,,174.111675688,ODKSFYDXXFIFQN,Amino acids and Peptides,Small peptides,Aminoacids,Beta vulgaris,273185.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Chenopodiaceae'],['Unknown'],['Beta'],['Beta vulgaris'],4,3,9.177737712860107 12430,531,558,Amino acids and Peptides,Small peptides,Aminoacids,0.9194344,ISDB,ODKSFYDXXFIFQN-BYPYZUCNSA-N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1",N=C(N)NCCC[C@H](N)C(=O)O,C6H14N4O2,,174.111675688,ODKSFYDXXFIFQN,Amino acids and Peptides,Small peptides,Aminoacids,Salvia hispanica,1025159.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia hispanica'],4,3,9.177737712860107 12431,531,558,Amino acids and Peptides,Small peptides,Aminoacids,0.9194344,ISDB,ODKSFYDXXFIFQN-BYPYZUCNSA-N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1",N=C(N)NCCC[C@H](N)C(=O)O,C6H14N4O2,,174.111675688,ODKSFYDXXFIFQN,Amino acids and Peptides,Small peptides,Aminoacids,Trifolium pratense,839027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Trifolium'],['Trifolium pratense'],4,3,9.177737712860107 12432,531,558,Amino acids and Peptides,Small peptides,Aminoacids,0.9194344,ISDB,ODKSFYDXXFIFQN-BYPYZUCNSA-N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1",N=C(N)NCCC[C@H](N)C(=O)O,C6H14N4O2,,174.111675688,ODKSFYDXXFIFQN,Amino acids and Peptides,Small peptides,Aminoacids,Sida hermaphrodita,61566.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Sida'],['Sida hermaphrodita'],4,3,9.177737712860107 12433,531,558,Amino acids and Peptides,Small peptides,Aminoacids,0.9194344,ISDB,ODKSFYDXXFIFQN-BYPYZUCNSA-N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1",N=C(N)NCCC[C@H](N)C(=O)O,C6H14N4O2,,174.111675688,ODKSFYDXXFIFQN,Amino acids and Peptides,Small peptides,Aminoacids,Trifolium repens,116218.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Trifolium'],['Trifolium repens'],4,3,9.177737712860107 12434,531,558,Amino acids and Peptides,Small peptides,Aminoacids,0.9194344,ISDB,ODKSFYDXXFIFQN-BYPYZUCNSA-N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1",N=C(N)NCCC[C@H](N)C(=O)O,C6H14N4O2,,174.111675688,ODKSFYDXXFIFQN,Amino acids and Peptides,Small peptides,Aminoacids,Canavalia ensiformis,612442.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Canavalia'],['Canavalia ensiformis'],4,3,9.177737712860107 12435,531,558,Amino acids and Peptides,Small peptides,Aminoacids,0.9194344,ISDB,ODKSFYDXXFIFQN-BYPYZUCNSA-N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1",N=C(N)NCCC[C@H](N)C(=O)O,C6H14N4O2,,174.111675688,ODKSFYDXXFIFQN,Amino acids and Peptides,Small peptides,Aminoacids,Cucurbita foetidissima,429694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cucurbitales'],['Cucurbitaceae'],['Cucurbiteae'],['Cucurbita'],['Cucurbita foetidissima'],4,3,9.177737712860107 12436,531,558,Amino acids and Peptides,Small peptides,Aminoacids,0.9194344,ISDB,ODKSFYDXXFIFQN-BYPYZUCNSA-N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1",N=C(N)NCCC[C@H](N)C(=O)O,C6H14N4O2,,174.111675688,ODKSFYDXXFIFQN,Amino acids and Peptides,Small peptides,Aminoacids,Glycine max,681762.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Glycine max'],4,3,9.177737712860107 12437,531,558,Amino acids and Peptides,Small peptides,Aminoacids,0.9194344,ISDB,ODKSFYDXXFIFQN-BYPYZUCNSA-N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1",N=C(N)NCCC[C@H](N)C(=O)O,C6H14N4O2,,174.111675688,ODKSFYDXXFIFQN,Amino acids and Peptides,Small peptides,Aminoacids,Medicago sativa,1086789.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Medicago'],['Medicago sativa'],4,3,9.177737712860107 12438,531,558,Amino acids and Peptides,Small peptides,Aminoacids,0.9194344,ISDB,ODKSFYDXXFIFQN-BYPYZUCNSA-N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1",N=C(N)NCCC[C@H](N)C(=O)O,C6H14N4O2,,174.111675688,ODKSFYDXXFIFQN,Amino acids and Peptides,Small peptides,Aminoacids,Daucus carota,372836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Scandiceae'],['Daucus'],['Daucus carota'],4,3,9.177737712860107 12439,531,558,Amino acids and Peptides,Small peptides,Aminoacids,0.9194344,ISDB,ODKSFYDXXFIFQN-BYPYZUCNSA-N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1",N=C(N)NCCC[C@H](N)C(=O)O,C6H14N4O2,,174.111675688,ODKSFYDXXFIFQN,Amino acids and Peptides,Small peptides,Aminoacids,Phaseolus vulgaris,825707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Phaseolus'],['Phaseolus vulgaris'],4,3,9.177737712860107 12440,531,558,Amino acids and Peptides,Small peptides,Aminoacids,0.9194344,ISDB,ODKSFYDXXFIFQN-BYPYZUCNSA-N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1",N=C(N)NCCC[C@H](N)C(=O)O,C6H14N4O2,,174.111675688,ODKSFYDXXFIFQN,Amino acids and Peptides,Small peptides,Aminoacids,Oryza sativa,709894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza sativa'],4,3,9.177737712860107 12441,531,558,Amino acids and Peptides,Small peptides,Aminoacids,0.9194344,ISDB,ODKSFYDXXFIFQN-BYPYZUCNSA-N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1",N=C(N)NCCC[C@H](N)C(=O)O,C6H14N4O2,,174.111675688,ODKSFYDXXFIFQN,Amino acids and Peptides,Small peptides,Aminoacids,Lathyrus sativus,510046.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Fabeae'],['Lathyrus'],['Lathyrus sativus'],4,3,9.177737712860107 12442,531,558,Amino acids and Peptides,Small peptides,Aminoacids,0.9194344,ISDB,ODKSFYDXXFIFQN-BYPYZUCNSA-N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1",N=C(N)NCCC[C@H](N)C(=O)O,C6H14N4O2,,174.111675688,ODKSFYDXXFIFQN,Amino acids and Peptides,Small peptides,Aminoacids,Erythroxylum coca,57960.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Erythroxylaceae'],['Unknown'],['Erythroxylum'],['Erythroxylum coca'],4,3,9.177737712860107 12443,531,558,Amino acids and Peptides,Small peptides,Aminoacids,0.9194344,ISDB,ODKSFYDXXFIFQN-BYPYZUCNSA-N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1",N=C(N)NCCC[C@H](N)C(=O)O,C6H14N4O2,,174.111675688,ODKSFYDXXFIFQN,Amino acids and Peptides,Small peptides,Aminoacids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],4,3,9.177737712860107 12444,531,558,Amino acids and Peptides,Small peptides,Aminoacids,0.9194344,ISDB,ODKSFYDXXFIFQN-BYPYZUCNSA-N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1",N=C(N)NCCC[C@H](N)C(=O)O,C6H14N4O2,,174.111675688,ODKSFYDXXFIFQN,Amino acids and Peptides,Small peptides,Aminoacids,Punica granatum,646814.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Lythraceae'],['Unknown'],['Punica'],['Punica granatum'],4,3,9.177737712860107 12445,531,558,Amino acids and Peptides,Small peptides,Aminoacids,0.9194344,ISDB,ODKSFYDXXFIFQN-UHFFFAOYSA-N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)",NC(N)=NCCCC(N)C(=O)O,C6H14N4O2,,174.111675688,ODKSFYDXXFIFQN,Amino acids and Peptides,Small peptides,Aminoacids,Vitis vinifera,756728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Vitales'],['Vitaceae'],['Viteae'],['Vitis'],['Vitis vinifera'],4,3,9.177737712860107 12446,531,558,Amino acids and Peptides,Small peptides,Aminoacids,0.9194344,ISDB,ODKSFYDXXFIFQN-BYPYZUCNSA-N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1",N=C(N)NCCC[C@H](N)C(=O)O,C6H14N4O2,,174.111675688,ODKSFYDXXFIFQN,Amino acids and Peptides,Small peptides,Aminoacids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],4,3,9.177737712860107 12447,531,558,Amino acids and Peptides,Small peptides,Aminoacids,0.9194344,ISDB,ODKSFYDXXFIFQN-BYPYZUCNSA-N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1",N=C(N)NCCC[C@H](N)C(=O)O,C6H14N4O2,,174.111675688,ODKSFYDXXFIFQN,Amino acids and Peptides,Small peptides,Aminoacids,Juncus effusus,26727.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Juncaceae'],['Unknown'],['Juncus'],['Juncus effusus'],4,3,9.177737712860107 12448,531,558,Amino acids and Peptides,Small peptides,Aminoacids,0.9194344,ISDB,ODKSFYDXXFIFQN-BYPYZUCNSA-N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1",N=C(N)NCCC[C@H](N)C(=O)O,C6H14N4O2,,174.111675688,ODKSFYDXXFIFQN,Amino acids and Peptides,Small peptides,Aminoacids,Cannabis sativa,84004.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Cannabaceae'],['Unknown'],['Cannabis'],['Cannabis sativa'],4,3,9.177737712860107 12449,531,558,Amino acids and Peptides,Small peptides,Aminoacids,0.9194344,ISDB,ODKSFYDXXFIFQN-BYPYZUCNSA-N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1",N=C(N)NCCC[C@H](N)C(=O)O,C6H14N4O2,,174.111675688,ODKSFYDXXFIFQN,Amino acids and Peptides,Small peptides,Aminoacids,Thymus transcaucasicus,6084067.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Thymus'],['Thymus transcaucasicus'],4,3,9.177737712860107 12450,531,558,Amino acids and Peptides,Small peptides,Aminoacids,0.9194344,ISDB,ODKSFYDXXFIFQN-BYPYZUCNSA-N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1",N=C(N)NCCC[C@H](N)C(=O)O,C6H14N4O2,,174.111675688,ODKSFYDXXFIFQN,Amino acids and Peptides,Small peptides,Aminoacids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],4,3,9.177737712860107 12451,531,558,Amino acids and Peptides,Small peptides,Aminoacids,0.9194344,ISDB,ODKSFYDXXFIFQN-BYPYZUCNSA-N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1",N=C(N)NCCC[C@H](N)C(=O)O,C6H14N4O2,,174.111675688,ODKSFYDXXFIFQN,Amino acids and Peptides,Small peptides,Aminoacids,Opuntia ficus-indica,396274.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Cactaceae'],['Unknown'],['Opuntia'],['Opuntia ficus-indica'],4,3,9.177737712860107 12452,531,558,Amino acids and Peptides,Small peptides,Aminoacids,0.9194344,ISDB,ODKSFYDXXFIFQN-BYPYZUCNSA-N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1",N=C(N)NCCC[C@H](N)C(=O)O,C6H14N4O2,,174.111675688,ODKSFYDXXFIFQN,Amino acids and Peptides,Small peptides,Aminoacids,Helianthus annuus,515712.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Helianthus'],['Helianthus annuus'],4,3,9.177737712860107 12453,531,558,Amino acids and Peptides,Small peptides,Aminoacids,0.9194344,ISDB,ODKSFYDXXFIFQN-BYPYZUCNSA-N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1",N=C(N)NCCC[C@H](N)C(=O)O,C6H14N4O2,,174.111675688,ODKSFYDXXFIFQN,Amino acids and Peptides,Small peptides,Aminoacids,Allium sativum,748370.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Allieae'],['Allium'],['Allium sativum'],4,3,9.177737712860107 12454,531,558,Amino acids and Peptides,Small peptides,Aminoacids,0.9194344,ISDB,ODKSFYDXXFIFQN-BYPYZUCNSA-N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1",N=C(N)NCCC[C@H](N)C(=O)O,C6H14N4O2,,174.111675688,ODKSFYDXXFIFQN,Amino acids and Peptides,Small peptides,Aminoacids,Castanea sativa,1028994.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Fagaceae'],['Unknown'],['Castanea'],['Castanea sativa'],4,3,9.177737712860107 12455,531,558,Amino acids and Peptides,Small peptides,Aminoacids,0.9194344,ISDB,ODKSFYDXXFIFQN-BYPYZUCNSA-N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1",N=C(N)NCCC[C@H](N)C(=O)O,C6H14N4O2,,174.111675688,ODKSFYDXXFIFQN,Amino acids and Peptides,Small peptides,Aminoacids,Psophocarpus tetragonolobus,116244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Psophocarpus'],['Psophocarpus tetragonolobus'],4,3,9.177737712860107 12456,531,558,Amino acids and Peptides,Small peptides,Aminoacids,0.9194344,ISDB,ODKSFYDXXFIFQN-UHFFFAOYSA-N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)",NC(N)=NCCCC(N)C(=O)O,C6H14N4O2,,174.111675688,ODKSFYDXXFIFQN,Amino acids and Peptides,Small peptides,Aminoacids,Panax ginseng,524063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax ginseng'],4,3,9.177737712860107 12457,531,558,Amino acids and Peptides,Small peptides,Aminoacids,0.9194344,ISDB,ODKSFYDXXFIFQN-BYPYZUCNSA-N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1",N=C(N)NCCC[C@H](N)C(=O)O,C6H14N4O2,,174.111675688,ODKSFYDXXFIFQN,Amino acids and Peptides,Small peptides,Aminoacids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],4,3,9.177737712860107 12458,531,558,Amino acids and Peptides,Small peptides,Aminoacids,0.9194344,ISDB,ODKSFYDXXFIFQN-UHFFFAOYSA-N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)",NC(N)=NCCCC(N)C(=O)O,C6H14N4O2,,174.111675688,ODKSFYDXXFIFQN,Amino acids and Peptides,Small peptides,Aminoacids,Brassica napus,309234.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica napus'],4,3,9.177737712860107 12459,531,558,Amino acids and Peptides,Small peptides,Aminoacids,0.9194344,ISDB,ODKSFYDXXFIFQN-BYPYZUCNSA-N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1",N=C(N)NCCC[C@H](N)C(=O)O,C6H14N4O2,,174.111675688,ODKSFYDXXFIFQN,Amino acids and Peptides,Small peptides,Aminoacids,Catharanthus roseus,524094.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Vinceae'],['Catharanthus'],['Catharanthus roseus'],4,3,9.177737712860107 12460,531,558,Amino acids and Peptides,Small peptides,Aminoacids,0.9194344,ISDB,ODKSFYDXXFIFQN-BYPYZUCNSA-N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1",N=C(N)NCCC[C@H](N)C(=O)O,C6H14N4O2,,174.111675688,ODKSFYDXXFIFQN,Amino acids and Peptides,Small peptides,Aminoacids,Brassica oleracea,833642.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica oleracea'],4,3,9.177737712860107 12461,531,558,Amino acids and Peptides,Small peptides,Aminoacids,0.9194344,ISDB,ODKSFYDXXFIFQN-BYPYZUCNSA-N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1",N=C(N)NCCC[C@H](N)C(=O)O,C6H14N4O2,,174.111675688,ODKSFYDXXFIFQN,Amino acids and Peptides,Small peptides,Aminoacids,Capsella bursa-pastoris,833644.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Capsella'],['Capsella bursa-pastoris'],4,3,9.177737712860107 12462,531,558,Amino acids and Peptides,Small peptides,Aminoacids,0.9194344,ISDB,ODKSFYDXXFIFQN-BYPYZUCNSA-N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1",N=C(N)NCCC[C@H](N)C(=O)O,C6H14N4O2,,174.111675688,ODKSFYDXXFIFQN,Amino acids and Peptides,Small peptides,Aminoacids,Arnica montana,942734.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Madieae'],['Arnica'],['Arnica montana'],4,3,9.177737712860107 12463,531,558,Amino acids and Peptides,Small peptides,Aminoacids,0.9194344,ISDB,ODKSFYDXXFIFQN-BYPYZUCNSA-N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1",N=C(N)NCCC[C@H](N)C(=O)O,C6H14N4O2,,174.111675688,ODKSFYDXXFIFQN,Amino acids and Peptides,Small peptides,Aminoacids,Apium graveolens,2472.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Apieae'],['Apium'],['Apium graveolens'],4,3,9.177737712860107 12464,531,558,Amino acids and Peptides,Small peptides,Aminoacids,0.9194344,ISDB,ODKSFYDXXFIFQN-BYPYZUCNSA-N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1",N=C(N)NCCC[C@H](N)C(=O)O,C6H14N4O2,,174.111675688,ODKSFYDXXFIFQN,Amino acids and Peptides,Small peptides,Aminoacids,Suaeda aegyptiaca,737778.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Chenopodiaceae'],['Unknown'],['Suaeda'],['Suaeda aegyptiaca'],4,3,9.177737712860107 12465,531,558,Amino acids and Peptides,Small peptides,Aminoacids,0.9194344,ISDB,ODKSFYDXXFIFQN-UHFFFAOYSA-N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)",NC(N)=NCCCC(N)C(=O)O,C6H14N4O2,,174.111675688,ODKSFYDXXFIFQN,Amino acids and Peptides,Small peptides,Aminoacids,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],4,3,9.177737712860107 12466,531,558,Amino acids and Peptides,Small peptides,Aminoacids,0.9194344,ISDB,ODKSFYDXXFIFQN-UHFFFAOYSA-N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)",NC(N)=NCCCC(N)C(=O)O,C6H14N4O2,,174.111675688,ODKSFYDXXFIFQN,Amino acids and Peptides,Small peptides,Aminoacids,Pseudostellaria heterophylla,698777.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Alsineae'],['Pseudostellaria'],['Pseudostellaria heterophylla'],4,3,9.177737712860107 12467,531,558,Amino acids and Peptides,Small peptides,Aminoacids,0.9194344,ISDB,ODKSFYDXXFIFQN-UHFFFAOYSA-N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)",NC(N)=NCCCC(N)C(=O)O,C6H14N4O2,,174.111675688,ODKSFYDXXFIFQN,Amino acids and Peptides,Small peptides,Aminoacids,Hyacinthoides non-scripta,268365.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Hyacinthaceae'],['Hyacintheae'],['Hyacinthoides'],['Hyacinthoides non-scripta'],4,3,9.177737712860107 12379,529,24,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.41771606,ISDB,,,,,,,LGIKFBYSSJHCQR,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.670864224433899 12377,523,520,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.26038572,ISDB,UGSHXVXFFPLXBZ-YCIZVOMOSA-N,"InChI=1S/C14H22O4/c1-9-5-6-13(10(2)7-17-11(3)15)14(9)8-18-12(4)16/h7,9,13-14H,5-6,8H2,1-4H3/b10-7+/t9-,13-,14+/m0/s1",CC(=O)O/C=C(\C)[C@@H]1CC[C@H](C)[C@H]1COC(C)=O,C14H22O4,,254.151809184,UGSHXVXFFPLXBZ,Terpenoids,,,Nepeta ciliaris,6082678.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Nepeta'],['Nepeta ciliaris'],4,1,5.541542887687683 12172,522,7,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.23579952,ISDB,PGYAYSRVSAJXTE-CLONMANBSA-N,"InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-22-35-36(5,6)25-33(41)27-38(35,9)43)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)26-34(42)28-39(40,10)44-40/h11-21,23-24,33-34,41-43H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20+/t22?,33-,34-,38+,39+,40-/m0/s1",C/C(C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C,C40H56O4,,600.417860272,PGYAYSRVSAJXTE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Trollius europaeus,805006.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Adonideae'],['Trollius'],['Trollius europaeus'],6,3,8.443198084831238 11464,520,-1,,,,0.6952524,ISDB,VZCCETWTMQHEPK-QNEBEIHSSA-N,"InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10,12-13H,2-5,8,11,14-17H2,1H3,(H,19,20)/b7-6-,10-9-,13-12-",CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)O,C18H30O2,,278.2245802,VZCCETWTMQHEPK,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Anemone cylindrica,836008.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Anemone'],['Anemone cylindrica'],7,0,9.781009674072266 11465,520,-1,,,,0.6952524,ISDB,VZCCETWTMQHEPK-QNEBEIHSSA-N,"InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10,12-13H,2-5,8,11,14-17H2,1H3,(H,19,20)/b7-6-,10-9-,13-12-",CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)O,C18H30O2,,278.2245802,VZCCETWTMQHEPK,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Anemone altaica,7049008.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Anemone'],['Anemone altaica'],7,0,9.781009674072266 11466,520,-1,,,,0.6952524,ISDB,VZCCETWTMQHEPK-QNEBEIHSSA-N,"InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10,12-13H,2-5,8,11,14-17H2,1H3,(H,19,20)/b7-6-,10-9-,13-12-",CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)O,C18H30O2,,278.2245802,VZCCETWTMQHEPK,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Anemone nemorosa,233315.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Anemone'],['Anemone nemorosa'],7,0,9.781009674072266 11467,520,-1,,,,0.6952524,ISDB,VZCCETWTMQHEPK-QNEBEIHSSA-N,"InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10,12-13H,2-5,8,11,14-17H2,1H3,(H,19,20)/b7-6-,10-9-,13-12-",CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)O,C18H30O2,,278.2245802,VZCCETWTMQHEPK,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Anemone ranunculoides,896063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Anemone'],['Anemone ranunculoides'],7,0,9.781009674072266 11468,520,-1,,,,0.6952524,ISDB,VZCCETWTMQHEPK-QNEBEIHSSA-N,"InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10,12-13H,2-5,8,11,14-17H2,1H3,(H,19,20)/b7-6-,10-9-,13-12-",CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)O,C18H30O2,,278.2245802,VZCCETWTMQHEPK,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Anemone multifida,896056.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Anemone'],['Anemone multifida'],7,0,9.781009674072266 11469,520,-1,,,,0.6952524,ISDB,VZCCETWTMQHEPK-QNEBEIHSSA-N,"InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10,12-13H,2-5,8,11,14-17H2,1H3,(H,19,20)/b7-6-,10-9-,13-12-",CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)O,C18H30O2,,278.2245802,VZCCETWTMQHEPK,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Anemone narcissiflora,896053.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Anemone'],['Anemone narcissiflora'],7,0,9.781009674072266 11459,519,5,Polyketides,Linear polyketides,Valerenane sesquiterpenoids,0.5312964,ISDB,DPHXIYPTUGEXJY-MRPWLJHASA-N,"InChI=1S/C15H18O6/c1-3-4-5-9(2)6-7-10(16)13-14(19)11(8-12(17)18)21-15(13)20/h6-9,19H,3-5H2,1-2H3,(H,17,18)/b7-6+,11-8-/t9-/m1/s1",CCCC[C@@H](C)/C=C/C(=O)C1=C(O)/C(=C/C(=O)O)OC1=O,C15H18O6,,294.110338296,DPHXIYPTUGEXJY,Polyketides,Linear polyketides,,Penicillium italicum,6232.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Penicillium'],['Penicillium italicum'],0,2,3.125185489654541 11427,518,228,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.7784031,ISDB,FLXYFXDZJHWWGW-VJQRDGCPSA-N,"InChI=1S/C16H28O6/c1-5-16(4,8-6-7-10(2)3)22-15-14(20)13(19)12(18)11(9-17)21-15/h5,7,11-15,17-20H,1,6,8-9H2,2-4H3/t11-,12-,13+,14-,15+,16-/m1/s1",C=C[C@](C)(CCC=C(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H28O6,,316.18858861599995,FLXYFXDZJHWWGW,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Jasminum sambac,295476.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Oleaceae'],['Jasmineae'],['Jasminum'],['Jasminum sambac'],4,3,8.613612413406372 11428,518,228,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.7784031,ISDB,FLXYFXDZJHWWGW-VJQRDGCPSA-N,"InChI=1S/C16H28O6/c1-5-16(4,8-6-7-10(2)3)22-15-14(20)13(19)12(18)11(9-17)21-15/h5,7,11-15,17-20H,1,6,8-9H2,2-4H3/t11-,12-,13+,14-,15+,16-/m1/s1",C=C[C@](C)(CCC=C(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H28O6,,316.18858861599995,FLXYFXDZJHWWGW,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Cunila spicata,6082207.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Cunila'],['Cunila spicata'],4,3,8.613612413406372 11429,518,228,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.7784031,ISDB,FLXYFXDZJHWWGW-RDGWLKQMSA-N,"InChI=1S/C16H28O6/c1-5-16(4,8-6-7-10(2)3)22-15-14(20)13(19)12(18)11(9-17)21-15/h5,7,11-15,17-20H,1,6,8-9H2,2-4H3/t11-,12-,13+,14-,15+,16+/m1/s1",C=C[C@@](C)(CCC=C(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H28O6,,316.18858861599995,FLXYFXDZJHWWGW,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Hypericum sikokumontanum,354155.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Hypericaceae'],['Hypericeae'],['Hypericum'],['Hypericum sikokumontanum'],4,3,8.613612413406372 11430,518,228,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.7784031,ISDB,FLXYFXDZJHWWGW-BKQXGZDCSA-N,"InChI=1S/C16H28O6/c1-5-16(4,8-6-7-10(2)3)22-15-14(20)13(19)12(18)11(9-17)21-15/h5,7,11-15,17-20H,1,6,8-9H2,2-4H3/t11-,12-,13+,14-,15-,16-/m1/s1",C=C[C@](C)(CCC=C(C)C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H28O6,,316.188588616,FLXYFXDZJHWWGW,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Pluchea indica,446140.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Pluchea'],['Pluchea indica'],4,3,8.613612413406372 11431,518,228,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.7784031,ISDB,FLXYFXDZJHWWGW-VJQRDGCPSA-N,"InChI=1S/C16H28O6/c1-5-16(4,8-6-7-10(2)3)22-15-14(20)13(19)12(18)11(9-17)21-15/h5,7,11-15,17-20H,1,6,8-9H2,2-4H3/t11-,12-,13+,14-,15+,16-/m1/s1",C=C[C@](C)(CCC=C(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H28O6,,316.18858861599995,FLXYFXDZJHWWGW,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Perilla frutescens,295678.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Elsholtzieae'],['Perilla'],['Perilla frutescens'],4,3,8.613612413406372 11432,518,228,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.7784031,ISDB,FLXYFXDZJHWWGW-VTMBPIDISA-N,"InChI=1S/C16H28O6/c1-5-16(4,8-6-7-10(2)3)22-15-14(20)13(19)12(18)11(9-17)21-15/h5,7,11-15,17-20H,1,6,8-9H2,2-4H3/t11-,12-,13+,14+,15+,16-/m1/s1",C=C[C@](C)(CCC=C(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O,C16H28O6,,316.18858861599995,FLXYFXDZJHWWGW,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Zingiber officinale,1063866.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Zingiber'],['Zingiber officinale'],4,3,8.613612413406372 11422,516,1016,Terpenoids,Macrolides,Macrolide lactones,0.2517643,ISDB,ZPZBRVXCZBYHPI-ITJFIPAGSA-N,"InChI=1S/C24H44O6/c1-19(25)16-22(28)18-23-13-11-9-7-5-3-2-4-6-8-10-12-20(26)17-21(27)14-15-24(29)30-23/h14-15,19-23,25-28H,2-13,16-18H2,1H3/b15-14+/t19-,20+,21-,22-,23+/m1/s1",C[C@@H](O)C[C@@H](O)C[C@@H]1CCCCCCCCCCCC[C@H](O)C[C@H](O)/C=C/C(=O)O1,C24H44O6,,428.313789128,ZPZBRVXCZBYHPI,Polyketides,Macrolides,Macrolide lactones,Hypoxylon rickii,555414.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Xylariales'],['Xylariaceae'],['Unknown'],['Hypoxylon'],['Hypoxylon rickii'],0,3,2.5070571899414062 11370,511,213,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,STSJHYHSVQPPEC-BGKGJTHRSA-N,"InChI=1S/C10H16O4/c1-5-4-14-10(13)9-6(5)2-8(12)7(9)3-11/h5-9,11-12H,2-4H2,1H3/t5-,6+,7-,8-,9-/m0/s1",C[C@H]1COC(=O)[C@@H]2[C@@H](CO)[C@@H](O)C[C@@H]21,C10H16O4,pos_1_1proton,200.104858992,STSJHYHSVQPPEC,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana laxiflora,844983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana laxiflora'],6,3,7.5 11372,511,213,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,PEZCHMXCLXLNIE-UHFFFAOYSA-N,"InChI=1S/C10H16O4/c1-5-4-14-9(12)8-6(5)3-7(11)10(8,2)13/h5-8,11,13H,3-4H2,1-2H3",CC1COC(=O)C2C1CC(O)C2(C)O,C10H16O4,pos_1_1proton,200.104858992,PEZCHMXCLXLNIE,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,3,7.5 11373,511,213,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,RPOWAISXPHIEJS-QKDRXXQKSA-N,"InChI=1S/C10H16O4/c1-5-6-3-8(11)10(2,13)7(6)4-14-9(5)12/h5-8,11,13H,3-4H2,1-2H3/t5-,6?,7?,8+,10+/m1/s1",C[C@H]1C(=O)OCC2C1C[C@H](O)[C@@]2(C)O,C10H16O4,pos_1_1proton,200.104858992,RPOWAISXPHIEJS,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia villosa,971855.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia villosa'],6,3,7.5 11374,511,213,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,RPOWAISXPHIEJS-XAVNFNALSA-N,"InChI=1S/C10H16O4/c1-5-6-3-8(11)10(2,13)7(6)4-14-9(5)12/h5-8,11,13H,3-4H2,1-2H3/t5-,6-,7+,8+,10+/m1/s1",C[C@H]1C(=O)OC[C@H]2[C@@H]1C[C@H](O)[C@@]2(C)O,C10H16O4,pos_1_1proton,200.104858992,RPOWAISXPHIEJS,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia scabra,68239.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia scabra'],6,3,7.5 11364,510,1169,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,0.0,MS1_match,MQNYOYOQPDJLJV-PEXFBTPGSA-N,"InChI=1S/C17H24O3/c1-12(18)20-11-13-5-4-6-14(19)8-10-16-15(9-7-13)17(16,2)3/h5,8,10,15-16H,4,6-7,9,11H2,1-3H3/b10-8-,13-5+/t15-,16+/m1/s1",CC(=O)OC/C1=C/CCC(=O)/C=C\[C@H]2[C@@H](CC1)C2(C)C,C17H24O3,pos_1_1proton,276.172544628,MQNYOYOQPDJLJV,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,3,7.5 11365,510,1169,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,0.0,MS1_match,MQNYOYOQPDJLJV-PEXFBTPGSA-N,"InChI=1S/C17H24O3/c1-12(18)20-11-13-5-4-6-14(19)8-10-16-15(9-7-13)17(16,2)3/h5,8,10,15-16H,4,6-7,9,11H2,1-3H3/b10-8-,13-5+/t15-,16+/m1/s1",CC(=O)OC/C1=C/CCC(=O)/C=C\[C@H]2[C@@H](CC1)C2(C)C,C17H24O3,pos_1_1proton,276.172544628,MQNYOYOQPDJLJV,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,Valeriana fauriei,228778.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana fauriei'],6,3,7.5 11366,510,1169,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,0.0,MS1_match,BESWSXOVDJDSKQ-HUJQHWLQSA-N,"InChI=1S/C17H24O3/c1-11-6-5-7-13(19)8-9-14-16(17(14,3)4)15(10-11)20-12(2)18/h6,8-9,14-16H,5,7,10H2,1-4H3/b9-8-,11-6-/t14-,15+,16-/m0/s1",CC(=O)O[C@@H]1C/C(C)=C\CCC(=O)/C=C\[C@H]2[C@@H]1C2(C)C,C17H24O3,pos_1_1proton,276.172544628,BESWSXOVDJDSKQ,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,3,7.5 11367,510,1169,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,0.0,MS1_match,BESWSXOVDJDSKQ-HUJQHWLQSA-N,"InChI=1S/C17H24O3/c1-11-6-5-7-13(19)8-9-14-16(17(14,3)4)15(10-11)20-12(2)18/h6,8-9,14-16H,5,7,10H2,1-4H3/b9-8-,11-6-/t14-,15+,16-/m0/s1",CC(=O)O[C@@H]1C/C(C)=C\CCC(=O)/C=C\[C@H]2[C@@H]1C2(C)C,C17H24O3,pos_1_1proton,276.172544628,BESWSXOVDJDSKQ,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,Valeriana fauriei,228778.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana fauriei'],6,3,7.5 11368,510,1169,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,0.0,MS1_match,VGOHBZXHAWVRBT-UHFFFAOYSA-N,"InChI=1S/C17H24O3/c1-12(19)20-11-13-5-4-6-14(10-18)9-16-15(8-7-13)17(16,2)3/h5,9-10,15-16H,4,6-8,11H2,1-3H3",CC(=O)OCC1=CCCC(C=O)=CC2C(CC1)C2(C)C,C17H24O3,pos_1_1proton,276.172544628,VGOHBZXHAWVRBT,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,Valeriana dageletiana,7625130.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana dageletiana'],6,3,7.5 11369,510,1169,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,0.0,MS1_match,VGOHBZXHAWVRBT-UHFFFAOYSA-N,"InChI=1S/C17H24O3/c1-12(19)20-11-13-5-4-6-14(10-18)9-16-15(8-7-13)17(16,2)3/h5,9-10,15-16H,4,6-8,11H2,1-3H3",CC(=O)OCC1=CCCC(C=O)=CC2C(CC1)C2(C)C,C17H24O3,pos_1_1proton,276.172544628,VGOHBZXHAWVRBT,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,3,7.5 11339,507,1554,Alkaloids,Ornithine alkaloids,Pyrrolidine alkaloids,0.71970224,ISDB,OQEBIHBLFRADNM-UOWFLXDJSA-N,"InChI=1S/C5H11NO3/c7-2-3-5(9)4(8)1-6-3/h3-9H,1-2H2/t3-,4-,5-/m1/s1",OC[C@H]1NC[C@@H](O)[C@@H]1O,C5H11NO3,,133.073893212,OQEBIHBLFRADNM,Alkaloids,Ornithine alkaloids,Pyrrolidine alkaloids,Morus indica,307703.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Morus'],['Morus indica'],4,3,8.378808975219727 11340,507,1554,Alkaloids,Ornithine alkaloids,Pyrrolidine alkaloids,0.71970224,ISDB,OQEBIHBLFRADNM-UHFFFAOYSA-N,"InChI=1S/C5H11NO3/c7-2-3-5(9)4(8)1-6-3/h3-9H,1-2H2",OCC1NCC(O)C1O,C5H11NO3,,133.073893212,OQEBIHBLFRADNM,Alkaloids,Ornithine alkaloids,Pyrrolidine alkaloids,Adenophora triphylla,817781.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Campanulaceae'],['Unknown'],['Adenophora'],['Adenophora triphylla'],4,3,8.378808975219727 11341,507,1554,Alkaloids,Ornithine alkaloids,Pyrrolidine alkaloids,0.71970224,ISDB,OQEBIHBLFRADNM-UOWFLXDJSA-N,"InChI=1S/C5H11NO3/c7-2-3-5(9)4(8)1-6-3/h3-9H,1-2H2/t3-,4-,5-/m1/s1",OC[C@H]1NC[C@@H](O)[C@@H]1O,C5H11NO3,,133.073893212,OQEBIHBLFRADNM,Alkaloids,Ornithine alkaloids,Pyrrolidine alkaloids,Hyacinthoides non-scripta,268365.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Hyacinthaceae'],['Hyacintheae'],['Hyacinthoides'],['Hyacinthoides non-scripta'],4,3,8.378808975219727 11342,507,1554,Alkaloids,Ornithine alkaloids,Pyrrolidine alkaloids,0.71970224,ISDB,OQEBIHBLFRADNM-UOWFLXDJSA-N,"InChI=1S/C5H11NO3/c7-2-3-5(9)4(8)1-6-3/h3-9H,1-2H2/t3-,4-,5-/m1/s1",OC[C@H]1NC[C@@H](O)[C@@H]1O,C5H11NO3,,133.073893212,OQEBIHBLFRADNM,Alkaloids,Ornithine alkaloids,Pyrrolidine alkaloids,Hyacinthoides hispanica,652820.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Hyacinthaceae'],['Hyacintheae'],['Hyacinthoides'],['Hyacinthoides hispanica'],4,3,8.378808975219727 11343,507,1554,Alkaloids,Ornithine alkaloids,Pyrrolidine alkaloids,0.71970224,ISDB,OQEBIHBLFRADNM-MROZADKFSA-N,"InChI=1S/C5H11NO3/c7-2-3-5(9)4(8)1-6-3/h3-9H,1-2H2/t3-,4+,5-/m1/s1",OC[C@H]1NC[C@H](O)[C@@H]1O,C5H11NO3,,133.073893212,OQEBIHBLFRADNM,Alkaloids,Ornithine alkaloids,Pyrrolidine alkaloids,Angylocalyx pynaertii,476511.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Angylocalyceae'],['Angylocalyx'],['Angylocalyx pynaertii'],4,3,8.378808975219727 11344,507,1554,Alkaloids,Ornithine alkaloids,Pyrrolidine alkaloids,0.71970224,ISDB,OQEBIHBLFRADNM-UOWFLXDJSA-N,"InChI=1S/C5H11NO3/c7-2-3-5(9)4(8)1-6-3/h3-9H,1-2H2/t3-,4-,5-/m1/s1",OC[C@H]1NC[C@@H](O)[C@@H]1O,C5H11NO3,,133.073893212,OQEBIHBLFRADNM,Alkaloids,Ornithine alkaloids,Pyrrolidine alkaloids,Angylocalyx boutiqueanus,3919913.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Angylocalyceae'],['Angylocalyx'],['Angylocalyx boutiqueanus'],4,3,8.378808975219727 11345,507,1554,Alkaloids,Ornithine alkaloids,Pyrrolidine alkaloids,0.71970224,ISDB,OQEBIHBLFRADNM-UOWFLXDJSA-N,"InChI=1S/C5H11NO3/c7-2-3-5(9)4(8)1-6-3/h3-9H,1-2H2/t3-,4-,5-/m1/s1",OC[C@H]1NC[C@@H](O)[C@@H]1O,C5H11NO3,,133.073893212,OQEBIHBLFRADNM,Alkaloids,Ornithine alkaloids,Pyrrolidine alkaloids,Morus alba,658488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Morus'],['Morus alba'],4,3,8.378808975219727 11346,507,1554,Alkaloids,Ornithine alkaloids,Pyrrolidine alkaloids,0.71970224,ISDB,OQEBIHBLFRADNM-UOWFLXDJSA-N,"InChI=1S/C5H11NO3/c7-2-3-5(9)4(8)1-6-3/h3-9H,1-2H2/t3-,4-,5-/m1/s1",OC[C@H]1NC[C@@H](O)[C@@H]1O,C5H11NO3,,133.073893212,OQEBIHBLFRADNM,Alkaloids,Ornithine alkaloids,Pyrrolidine alkaloids,Adenophora triphylla var. japonica,526871.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Campanulaceae'],['Unknown'],['Adenophora'],['Adenophora triphylla'],4,3,8.378808975219727 11347,507,1554,Alkaloids,Ornithine alkaloids,Pyrrolidine alkaloids,0.71970224,ISDB,OQEBIHBLFRADNM-UOWFLXDJSA-N,"InChI=1S/C5H11NO3/c7-2-3-5(9)4(8)1-6-3/h3-9H,1-2H2/t3-,4-,5-/m1/s1",OC[C@H]1NC[C@@H](O)[C@@H]1O,C5H11NO3,,133.073893212,OQEBIHBLFRADNM,Alkaloids,Ornithine alkaloids,Pyrrolidine alkaloids,Morus australis,210689.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Morus'],['Morus australis'],4,3,8.378808975219727 11348,507,1554,Alkaloids,Ornithine alkaloids,Pyrrolidine alkaloids,0.71970224,ISDB,OQEBIHBLFRADNM-UOWFLXDJSA-N,"InChI=1S/C5H11NO3/c7-2-3-5(9)4(8)1-6-3/h3-9H,1-2H2/t3-,4-,5-/m1/s1",OC[C@H]1NC[C@@H](O)[C@@H]1O,C5H11NO3,,133.073893212,OQEBIHBLFRADNM,Alkaloids,Ornithine alkaloids,Pyrrolidine alkaloids,Morus bombycis,210686.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Morus'],['Morus bombycis'],4,3,8.378808975219727 11349,507,1554,Alkaloids,Ornithine alkaloids,Pyrrolidine alkaloids,0.71970224,ISDB,OQEBIHBLFRADNM-UHFFFAOYSA-N,"InChI=1S/C5H11NO3/c7-2-3-5(9)4(8)1-6-3/h3-9H,1-2H2",OCC1NCC(O)C1O,C5H11NO3,,133.073893212,OQEBIHBLFRADNM,Alkaloids,Ornithine alkaloids,Pyrrolidine alkaloids,Baphia nitida,351634.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Baphieae'],['Baphia'],['Baphia nitida'],4,3,8.378808975219727 11320,506,-1,,,,0.0,MS1_match,ZQPPJHUOJWNFMW-GLUARIRHSA-N,"InChI=1S/C24H36O10/c1-13(2)7-20(27)30-10-17-11-31-23(34-21(28)8-14(3)4)22-18(17)9-19(33-16(6)26)24(22,29)12-32-15(5)25/h11,13-14,18-19,22-23,29H,7-10,12H2,1-6H3/t18-,19+,22-,23+,24-/m1/s1",CC(=O)OC[C@]1(O)[C@H]2[C@H](OC(=O)CC(C)C)OC=C(COC(=O)CC(C)C)[C@H]2C[C@@H]1OC(C)=O,C24H36O10,pos_2_2proton,484.23084735199984,ZQPPJHUOJWNFMW,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,0,6.0 11318,502,104,Amino acids and Peptides,Small peptides,Dipeptides,0.0,MS1_match,YUTFBICAYRWLGQ-UHFFFAOYSA-N,"InChI=1S/C11H14O4/c1-13-10(12)8-4-6-9(7-5-8)11(14-2)15-3/h4-7,11H,1-3H3",COC(=O)c1ccc(C(OC)OC)cc1,C11H14O4,pos_1_sodium,210.089208928,YUTFBICAYRWLGQ,Shikimates and Phenylpropanoids,,,Aconitum lethale,6131432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum lethale'],6,0,6.0 11319,502,104,Amino acids and Peptides,Small peptides,Dipeptides,0.0,MS1_match,YUTFBICAYRWLGQ-UHFFFAOYSA-N,"InChI=1S/C11H14O4/c1-13-10(12)8-4-6-9(7-5-8)11(14-2)15-3/h4-7,11H,1-3H3",COC(=O)c1ccc(C(OC)OC)cc1,C11H14O4,pos_1_sodium,210.089208928,YUTFBICAYRWLGQ,Shikimates and Phenylpropanoids,,,Aconitum falconeri,6131385.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum falconeri'],6,0,6.0 11163,500,-1,,,,0.56122166,ISDB,MLIXRKUBDYCIFK-HQJQHLMTSA-N,"InChI=1S/C11H14O3/c1-7-4-3-5-8-10(13)14-9(12)6-11(7,8)2/h5,7H,3-4,6H2,1-2H3/t7-,11+/m1/s1",C[C@@H]1CCC=C2C(=O)OC(=O)C[C@]21C,C11H14O3,,194.094294308,MLIXRKUBDYCIFK,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Nardostachys jatamansi,24101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Nardostachys'],['Nardostachys jatamansi'],6,0,8.244886636734009 11153,493,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.32515752,ISDB,QQCGKIZHTJLRNN-UHFFFAOYSA-N,"InChI=1S/C22H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21(2)3/h16-19,21H,4-15,20H2,1-3H3,(H,23,24)",CCCCCCCCCCCCCC=CC=CC(=O)NCC(C)C,C22H41NO,,335.318814932,QQCGKIZHTJLRNN,Fatty acids,Fatty amides,N-acyl amines,Piper nigrum,472526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper nigrum'],0,1,1.8006300926208496 11154,493,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.32515752,ISDB,QQCGKIZHTJLRNN-UHFFFAOYSA-N,"InChI=1S/C22H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21(2)3/h16-19,21H,4-15,20H2,1-3H3,(H,23,24)",CCCCCCCCCCCCCC=CC=CC(=O)NCC(C)C,C22H41NO,,335.318814932,QQCGKIZHTJLRNN,Fatty acids,Fatty amides,N-acyl amines,Piper longum,97780.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper longum'],0,1,1.8006300926208496 11155,493,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.32515752,ISDB,QQCGKIZHTJLRNN-UHFFFAOYSA-N,"InChI=1S/C22H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21(2)3/h16-19,21H,4-15,20H2,1-3H3,(H,23,24)",CCCCCCCCCCCCCC=CC=CC(=O)NCC(C)C,C22H41NO,,335.318814932,QQCGKIZHTJLRNN,Fatty acids,Fatty amides,N-acyl amines,Piper retrofractum,505281.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper retrofractum'],0,1,1.8006300926208496 11156,493,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.32515752,ISDB,QQCGKIZHTJLRNN-UHFFFAOYSA-N,"InChI=1S/C22H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21(2)3/h16-19,21H,4-15,20H2,1-3H3,(H,23,24)",CCCCCCCCCCCCCC=CC=CC(=O)NCC(C)C,C22H41NO,,335.318814932,QQCGKIZHTJLRNN,Fatty acids,Fatty amides,N-acyl amines,Piper chaba,505281.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper retrofractum'],0,1,1.8006300926208496 11157,493,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.32515752,ISDB,QQCGKIZHTJLRNN-UHFFFAOYSA-N,"InChI=1S/C22H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21(2)3/h16-19,21H,4-15,20H2,1-3H3,(H,23,24)",CCCCCCCCCCCCCC=CC=CC(=O)NCC(C)C,C22H41NO,,335.318814932,QQCGKIZHTJLRNN,Fatty acids,Fatty amides,N-acyl amines,Piper guineense,233005.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper guineense'],0,1,1.8006300926208496 11158,493,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.32515752,ISDB,QQCGKIZHTJLRNN-UHFFFAOYSA-N,"InChI=1S/C22H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21(2)3/h16-19,21H,4-15,20H2,1-3H3,(H,23,24)",CCCCCCCCCCCCCC=CC=CC(=O)NCC(C)C,C22H41NO,,335.318814932,QQCGKIZHTJLRNN,Fatty acids,Fatty amides,N-acyl amines,Piper sarmentosum,183522.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper sarmentosum'],0,1,1.8006300926208496 11150,491,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.39960378,ISDB,KYSLCKVHRWLFQJ-UHFFFAOYSA-N,"InChI=1S/C24H47NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24(26)25-22-19-20-23-25/h2-23H2,1H3",CCCCCCCCCCCCCCCCCCCC(=O)N1CCCC1,C24H47NO,,365.365765124,KYSLCKVHRWLFQJ,Fatty acids,Fatty amides,N-acyl amines,Piper amalago,383256.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper amalago'],0,1,2.0984151363372803 11144,485,-1,,,,0.0,MS1_match,BKATZVAUANSCKN-QWRGUYRKSA-N,"InChI=1S/C12H18O2/c1-8(13)14-7-9-4-5-10-6-11(9)12(10,2)3/h4,10-11H,5-7H2,1-3H3/t10-,11-/m0/s1",CC(=O)OCC1=CC[C@H]2C[C@@H]1C2(C)C,C12H18O2,pos_2MCH3CNNa,194.130679816,BKATZVAUANSCKN,Terpenoids,Monoterpenoids,Pinane monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 11145,485,-1,,,,0.0,MS1_match,PBWRFXQNNGSAQG-UHFFFAOYSA-N,"InChI=1S/C12H18O2/c1-7(2)12-5-10(12)8(3)11(6-12)14-9(4)13/h7,10-11H,3,5-6H2,1-2,4H3",C=C1C(OC(C)=O)CC2(C(C)C)CC12,C12H18O2,pos_2MCH3CNNa,194.130679816,PBWRFXQNNGSAQG,Terpenoids,Monoterpenoids,Thujane monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 11146,485,-1,,,,0.0,MS1_match,ALVJDUNBMKMTDC-UHFFFAOYSA-N,"InChI=1S/C12H18O2/c1-12(2,3)10-8-9(13-4)6-7-11(10)14-5/h6-8H,1-5H3",COc1ccc(OC)c(C(C)(C)C)c1,C12H18O2,pos_2MCH3CNNa,194.130679816,ALVJDUNBMKMTDC,Shikimates and Phenylpropanoids,,,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 11147,485,-1,,,,0.0,MS1_match,RWENJYLCELUBAE-UHFFFAOYSA-N,"InChI=1S/C12H18O2/c1-8(2)10-6-11(13-4)9(3)12(7-10)14-5/h6-8H,1-5H3",COc1cc(C(C)C)cc(OC)c1C,C12H18O2,pos_2MCH3CNNa,194.130679816,RWENJYLCELUBAE,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 11148,485,-1,,,,0.0,MS1_match,GVZSSHYAFJPRJY-GARJFASQSA-N,"InChI=1S/C12H18O2/c1-7-10-5-9(12(7,3)4)6-11(10)14-8(2)13/h9-11H,1,5-6H2,2-4H3/t9-,10-,11+/m0/s1",C=C1[C@@H]2C[C@@H](C[C@H]2OC(C)=O)C1(C)C,C12H18O2,pos_2MCH3CNNa,194.130679816,GVZSSHYAFJPRJY,Terpenoids,Monoterpenoids,Camphane monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 11149,485,-1,,,,0.0,MS1_match,OZBFUQLOVFXDNK-VWYCJHECSA-N,"InChI=1S/C12H18O2/c1-7-5-11(14-8(2)13)10-6-9(7)12(10,3)4/h5,9-11H,6H2,1-4H3/t9-,10+,11+/m1/s1",CC(=O)O[C@H]1C=C(C)[C@H]2C[C@@H]1C2(C)C,C12H18O2,pos_2MCH3CNNa,194.130679816,OZBFUQLOVFXDNK,Terpenoids,Monoterpenoids,Pinane monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 11143,481,-1,,,,0.0,MS1_match,FKUPPRZPSYCDRS-UHFFFAOYSA-N,InChI=1S/C15H28O2/c16-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-17-15/h1-14H2,O=C1CCCCCCCCCCCCCCO1,C15H28O2,pos_1_1proton1ammonium,240.208930136,FKUPPRZPSYCDRS,Fatty acids,Fatty esters,Lactones,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 11129,480,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,PUEUIRDVQIKCCG-UHFFFAOYSA-N,"InChI=1S/C16H22O10/c1-2-7-8(3-4-17)9(14(22)23)6-24-15(7)26-16-13(21)12(20)11(19)10(5-18)25-16/h2,4,6-8,10-13,15-16,18-21H,1,3,5H2,(H,22,23)",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)O)C1CC=O,C16H22O10,pos_1_1proton1ammonium,374.1212969039999,PUEUIRDVQIKCCG,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],8,2,9.0 11130,480,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,PUEUIRDVQIKCCG-UHFFFAOYSA-N,"InChI=1S/C16H22O10/c1-2-7-8(3-4-17)9(14(22)23)6-24-15(7)26-16-13(21)12(20)11(19)10(5-18)25-16/h2,4,6-8,10-13,15-16,18-21H,1,3,5H2,(H,22,23)",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)O)C1CC=O,C16H22O10,pos_1_1proton1ammonium,374.1212969039999,PUEUIRDVQIKCCG,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],8,2,9.0 11120,479,-1,,,,0.7434013,ISDB,CKPBBEOJHAPPBT-UHFFFAOYSA-N,"InChI=1S/C21H44NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(24)29-20(18-23)19-28-30(25,26)27-17-16-22/h20,23H,2-19,22H2,1H3,(H,25,26)",CCCCCCCCCCCCCCCC(=O)OC(CO)COP(=O)(O)OCCN,C21H44NO7P,,453.2855393779999,CKPBBEOJHAPPBT,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,Asparagus officinalis,748359.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Asparagaceae'],['Unknown'],['Asparagus'],['Asparagus officinalis'],4,0,6.973605155944824 10986,477,-1,,,,0.6227678,ISDB,NPDSHTNEKLQQIJ-ZJHFMPGASA-N,"InChI=1S/C18H32O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14,17,19H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-6-,14-11+",CCCCC/C=C\C=C\C(O)CCCCCCCC(=O)O,C18H32O3,,296.235144884,NPDSHTNEKLQQIJ,Fatty acids,Octadecanoids,Other Octadecanoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,8.491071224212646 10987,477,-1,,,,0.6227678,ISDB,NPDSHTNEKLQQIJ-ZJHFMPGASA-N,"InChI=1S/C18H32O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14,17,19H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-6-,14-11+",CCCCC/C=C\C=C\C(O)CCCCCCCC(=O)O,C18H32O3,,296.235144884,NPDSHTNEKLQQIJ,Fatty acids,Octadecanoids,Other Octadecanoids,Valeriana fauriei,228778.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana fauriei'],6,0,8.491071224212646 10913,476,219,Fatty acids,Fatty acyls,Fatty aldehydes,0.47020888,ISDB,SESLBPIXVOYQJJ-UHFFFAOYSA-N,"InChI=1S/C28H46O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-32-28(30)22-20-25-19-21-26(29)27(24-25)31-2/h19-22,24,29H,3-18,23H2,1-2H3",CCCCCCCCCCCCCCCCCCOC(=O)C=Cc1ccc(O)c(OC)c1,C28H46O4,,446.33960995199993,SESLBPIXVOYQJJ,Shikimates and Phenylpropanoids,,,Dorstenia psilurus,564311.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Dorstenia'],['Dorstenia psilurus'],4,0,5.88083553314209 10914,476,219,Fatty acids,Fatty acyls,Fatty aldehydes,0.47020888,ISDB,SESLBPIXVOYQJJ-XDOYNYLZSA-N,"InChI=1S/C28H46O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-32-28(30)22-20-25-19-21-26(29)27(24-25)31-2/h19-22,24,29H,3-18,23H2,1-2H3/b22-20-",CCCCCCCCCCCCCCCCCCOC(=O)/C=C\c1ccc(O)c(OC)c1,C28H46O4,,446.339609952,SESLBPIXVOYQJJ,Shikimates and Phenylpropanoids,,,Pavetta owariensis,7626926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Pavetteae'],['Pavetta'],['Pavetta owariensis'],4,0,5.88083553314209 10915,476,219,Fatty acids,Fatty acyls,Fatty aldehydes,0.47020888,ISDB,SESLBPIXVOYQJJ-UHFFFAOYSA-N,"InChI=1S/C28H46O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-32-28(30)22-20-25-19-21-26(29)27(24-25)31-2/h19-22,24,29H,3-18,23H2,1-2H3",CCCCCCCCCCCCCCCCCCOC(=O)C=Cc1ccc(O)c(OC)c1,C28H46O4,,446.33960995199993,SESLBPIXVOYQJJ,Shikimates and Phenylpropanoids,,,Fibraurea tinctoria,678311.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Menispermaceae'],['Burasaieae'],['Fibraurea'],['Fibraurea tinctoria'],4,0,5.88083553314209 10916,476,219,Fatty acids,Fatty acyls,Fatty aldehydes,0.47020888,ISDB,SESLBPIXVOYQJJ-UHFFFAOYSA-N,"InChI=1S/C28H46O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-32-28(30)22-20-25-19-21-26(29)27(24-25)31-2/h19-22,24,29H,3-18,23H2,1-2H3",CCCCCCCCCCCCCCCCCCOC(=O)C=Cc1ccc(O)c(OC)c1,C28H46O4,,446.33960995199993,SESLBPIXVOYQJJ,Shikimates and Phenylpropanoids,,,Rubia tinctorum,782821.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Rubieae'],['Rubia'],['Rubia tinctorum'],4,0,5.88083553314209 10917,476,219,Fatty acids,Fatty acyls,Fatty aldehydes,0.47020888,ISDB,SESLBPIXVOYQJJ-UHFFFAOYSA-N,"InChI=1S/C28H46O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-32-28(30)22-20-25-19-21-26(29)27(24-25)31-2/h19-22,24,29H,3-18,23H2,1-2H3",CCCCCCCCCCCCCCCCCCOC(=O)C=Cc1ccc(O)c(OC)c1,C28H46O4,,446.33960995199993,SESLBPIXVOYQJJ,Shikimates and Phenylpropanoids,,,Euchresta formosana,280933.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Euchresta'],['Euchresta formosana'],4,0,5.88083553314209 10865,475,582,Terpenoids,Diterpenoids,Estrane steroids,0.4380654,ISDB,MQJPOSCYXGJLPQ-IUOWXXPRSA-N,"InChI=1S/C18H28O3/c1-5-16(19)20-13-14(2)7-6-10-18(4)15-8-11-17(3,21-18)12-9-15/h7-8,11,15H,5-6,9-10,12-13H2,1-4H3/b14-7+/t15-,17+,18-/m0/s1",CCC(=O)OC/C(C)=C/CC[C@]1(C)O[C@]2(C)C=C[C@H]1CC2,C18H28O3,,292.203844756,MQJPOSCYXGJLPQ,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Artemisia sieberi,324847.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia sieberi'],4,1,6.252261638641357 10619,473,744,Fatty acids,Octadecanoids,Jasmonic acids,0.5213565,ISDB,GEWDNTWNSAZUDX-WQMVXFAESA-N,"InChI=1S/C13H20O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h4-5,10-11H,3,6-9H2,1-2H3/b5-4-/t10-,11-/m1/s1",CC/C=C\C[C@H]1C(=O)CC[C@@H]1CC(=O)OC,C13H20O3,,224.1412445,GEWDNTWNSAZUDX,Fatty acids,Octadecanoids,Jasmonic acids,Tripterygium wilfordii,300831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium wilfordii'],6,3,9.585426092147827 10565,470,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_sodium,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Clematis stans,21283.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis stans'],8,0,8.0 10566,470,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_sodium,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Clematis stans,21283.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis stans'],8,0,8.0 10567,470,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_sodium,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Clematis stans,21283.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis stans'],8,0,8.0 10313,469,135,Terpenoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RRAFCDWBNXTKKO-UHFFFAOYSA-N,"InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3",C=CCc1ccc(O)c(OC)c1,C10H12O2,pos_1_1proton1methanol,164.083729624,RRAFCDWBNXTKKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 10314,469,135,Terpenoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,LREHGXOCZVBABG-UHFFFAOYSA-N,"InChI=1S/C10H12O2/c1-3-5-8-6-4-7-9(12-2)10(8)11/h3-4,6-7,11H,1,5H2,2H3",C=CCc1cccc(OC)c1O,C10H12O2,pos_1_1proton1methanol,164.083729624,LREHGXOCZVBABG,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 9592,466,29,Terpenoids,Triterpenoids,"Carotenoids (C40, Ψ-Ψ)",0.47794393,ISDB,RYHMCEZDZZBPAQ-ISZJTHHZSA-N,"InChI=1S/C30H48O2/c1-19(18-31)20-10-13-27(4)16-17-29(6)21(25(20)27)8-9-23-28(5)14-12-24(32)26(2,3)22(28)11-15-30(23,29)7/h18,20-25,32H,1,8-17H2,2-7H3/t20-,21+,22-,23+,24+,25+,27+,28-,29+,30+/m0/s1",C=C(C=O)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H48O2,,440.365430776,RYHMCEZDZZBPAQ,Terpenoids,Triterpenoids,Lupane triterpenoids,Euonymus carnosus,514583.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus carnosus'],7,2,9.911775708198547 9582,465,-1,,,,0.22727174,ISDB,WUCJZZPXANOCFR-UHFFFAOYSA-N,"InChI=1S/C27H44O4/c1-16(15-28)5-8-23(30)17(2)25-24(31)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h16-22,25,28-29H,5-15H2,1-4H3",CC(CO)CCC(=O)C(C)C1C(=O)CC2C3CCC4CC(O)CCC4(C)C3CCC21C,C27H44O4,,432.32395988799993,WUCJZZPXANOCFR,Terpenoids,Steroids,Cholestane steroids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],4,0,4.9090869426727295 9580,464,-1,,,,0.0,MS1_match,FVWJYYTZTCVBKE-ROUWMTJPSA-N,"InChI=1S/C30H50O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h20-25,31-32H,1,8-18H2,2-7H3/t20-,21+,22-,23+,24-,25+,27-,28+,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H50O2,pos_1_1proton1ammonium,442.38108084,FVWJYYTZTCVBKE,Terpenoids,Triterpenoids,Lupane triterpenoids,Valeriana laxiflora,844983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana laxiflora'],6,0,6.0 9581,464,-1,,,,0.0,MS1_match,FVWJYYTZTCVBKE-ROUWMTJPSA-N,"InChI=1S/C30H50O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h20-25,31-32H,1,8-18H2,2-7H3/t20-,21+,22-,23+,24-,25+,27-,28+,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H50O2,pos_1_1proton1ammonium,442.38108084,FVWJYYTZTCVBKE,Terpenoids,Triterpenoids,Lupane triterpenoids,Valeriana laxiflora,844983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana laxiflora'],6,0,6.0 9578,463,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.20805755,ISDB,XPKLONXIXRADCG-UHFFFAOYSA-N,"InChI=1S/C13H20O2/c1-3-4-5-6-7-11-12(14)8-10(2)9-13(11)15/h8-9,14-15H,3-7H2,1-2H3",CCCCCCc1c(O)cc(C)cc1O,C13H20O2,,208.14632988,XPKLONXIXRADCG,Polyketides,Aromatic polyketides,Catechols with side chains,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],4,0,4.83223021030426 9520,459,-1,,,,0.95210826,ISDB,YNMFDPCLPIMRFD-KSPKLRDJSA-N,"InChI=1S/C26H28O16/c27-9-4-12(30)16-14(5-9)40-23(8-1-2-10(28)11(29)3-8)24(19(16)34)42-26-22(37)20(35)18(33)15(41-26)7-39-25-21(36)17(32)13(31)6-38-25/h1-5,13,15,17-18,20-22,25-33,35-37H,6-7H2/t13-,15+,17-,18+,20-,21+,22+,25-,26-/m0/s1",O=c1c(O[C@@H]2O[C@H](CO[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C26H28O16,,596.137734816,YNMFDPCLPIMRFD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Calluna vulgaris,519874.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ericaceae'],['Ericeae'],['Calluna'],['Calluna vulgaris'],4,0,7.8084330558776855 9521,459,-1,,,,0.95210826,ISDB,YNMFDPCLPIMRFD-XTXTUNRQSA-N,"InChI=1S/C26H28O16/c27-9-4-12(30)16-14(5-9)40-23(8-1-2-10(28)11(29)3-8)24(19(16)34)42-26-22(37)20(35)18(33)15(41-26)7-39-25-21(36)17(32)13(31)6-38-25/h1-5,13,15,17-18,20-22,25-33,35-37H,6-7H2/t13-,15+,17-,18-,20-,21+,22+,25-,26-/m0/s1",O=c1c(O[C@@H]2O[C@H](CO[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C26H28O16,,596.1377348159998,YNMFDPCLPIMRFD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Vicia sativa,1056096.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Fabeae'],['Vicia'],['Vicia sativa'],4,0,7.8084330558776855 9522,459,-1,,,,0.95210826,ISDB,YNMFDPCLPIMRFD-VMOLRCKHSA-N,"InChI=1S/C26H28O16/c27-9-4-12(30)16-14(5-9)40-23(8-1-2-10(28)11(29)3-8)24(19(16)34)42-26-22(37)20(35)18(33)15(41-26)7-39-25-21(36)17(32)13(31)6-38-25/h1-5,13,15,17-18,20-22,25-33,35-37H,6-7H2/t13-,15+,17+,18+,20-,21-,22+,25+,26-/m0/s1",O=c1c(O[C@@H]2O[C@H](CO[C@H]3OC[C@H](O)[C@@H](O)[C@@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C26H28O16,,596.1377348159999,YNMFDPCLPIMRFD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Achillea collina,245242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Achillea'],['Achillea collina'],4,0,7.8084330558776855 9523,459,-1,,,,0.95210826,ISDB,YNMFDPCLPIMRFD-WRBAWAMSSA-N,"InChI=1S/C26H28O16/c27-9-4-12(30)16-14(5-9)40-23(8-1-2-10(28)11(29)3-8)24(19(16)34)42-26-22(37)20(35)18(33)15(41-26)7-39-25-21(36)17(32)13(31)6-38-25/h1-5,13,15,17-18,20-22,25-33,35-37H,6-7H2/t13-,15+,17+,18+,20-,21+,22-,25+,26-/m0/s1",O=c1c(O[C@@H]2O[C@H](CO[C@H]3OC[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C26H28O16,,596.1377348159999,YNMFDPCLPIMRFD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Dianthus caryophyllus,842200.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Caryophylleae'],['Dianthus'],['Dianthus caryophyllus'],4,0,7.8084330558776855 9524,459,-1,,,,0.95210826,ISDB,YNMFDPCLPIMRFD-XTXTUNRQSA-N,"InChI=1S/C26H28O16/c27-9-4-12(30)16-14(5-9)40-23(8-1-2-10(28)11(29)3-8)24(19(16)34)42-26-22(37)20(35)18(33)15(41-26)7-39-25-21(36)17(32)13(31)6-38-25/h1-5,13,15,17-18,20-22,25-33,35-37H,6-7H2/t13-,15+,17-,18-,20-,21+,22+,25-,26-/m0/s1",O=c1c(O[C@@H]2O[C@H](CO[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C26H28O16,,596.1377348159998,YNMFDPCLPIMRFD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Sibiraea angustata,1004734.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Sibiraea'],['Sibiraea angustata'],4,0,7.8084330558776855 9525,459,-1,,,,0.95210826,ISDB,YNMFDPCLPIMRFD-ZEZWPBFOSA-N,"InChI=1S/C26H28O16/c27-9-4-12(30)16-14(5-9)40-23(8-1-2-10(28)11(29)3-8)24(19(16)34)42-26-22(37)20(35)18(33)15(41-26)7-39-25-21(36)17(32)13(31)6-38-25/h1-5,13,15,17-18,20-22,25-33,35-37H,6-7H2/t13-,15-,17+,18-,20+,21-,22-,25+,26+/m0/s1",O=c1c(O[C@H]2O[C@@H](CO[C@H]3OC[C@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C26H28O16,,596.137734816,YNMFDPCLPIMRFD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Corydalis bungeana,5263529.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis bungeana'],4,0,7.8084330558776855 9526,459,-1,,,,0.95210826,ISDB,YNMFDPCLPIMRFD-ASRZSJCTSA-N,"InChI=1S/C26H28O16/c27-9-4-12(30)16-14(5-9)40-23(8-1-2-10(28)11(29)3-8)24(19(16)34)42-26-22(37)20(35)18(33)15(41-26)7-39-25-21(36)17(32)13(31)6-38-25/h1-5,13,15,17-18,20-22,25-33,35-37H,6-7H2/t13-,15+,17+,18+,20-,21+,22+,25+,26-/m0/s1",O=c1c(O[C@@H]2O[C@H](CO[C@H]3OC[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C26H28O16,,596.137734816,YNMFDPCLPIMRFD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cistus ladanifer,752021.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Cistaceae'],['Unknown'],['Cistus'],['Cistus ladanifer'],4,0,7.8084330558776855 9516,458,-1,,,,0.0,MS1_match,LANJQSWIMVURCX-CXSVBUCUSA-N,"InChI=1S/C41H66O14/c1-18-14-20-31(36(4,5)49)55-41(54-20)30(18)37(6)12-13-40-17-39(40)11-10-24(35(2,3)22(39)8-9-23(40)38(37,7)34(41)48)52-32-28(47)29(19(43)16-50-32)53-33-27(46)26(45)25(44)21(15-42)51-33/h18-34,42-49H,8-17H2,1-7H3/t18-,19-,20-,21-,22+,23+,24+,25-,26+,27-,28-,29+,30-,31+,32+,33+,34-,37-,38-,39-,40+,41+/m1/s1",C[C@@H]1C[C@H]2O[C@@]3(O[C@@H]2C(C)(C)O)[C@H](O)[C@@]2(C)[C@@H]4CC[C@H]5C(C)(C)[C@@H](O[C@@H]6OC[C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O)CC[C@@]56C[C@@]46CC[C@]2(C)[C@@H]13,C41H66O14,pos_1_1proton2acetonitrile,782.445256792,LANJQSWIMVURCX,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Actaea elata,988729.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea elata'],6,0,6.0 9517,458,-1,,,,0.0,MS1_match,LANJQSWIMVURCX-CXSVBUCUSA-N,"InChI=1S/C41H66O14/c1-18-14-20-31(36(4,5)49)55-41(54-20)30(18)37(6)12-13-40-17-39(40)11-10-24(35(2,3)22(39)8-9-23(40)38(37,7)34(41)48)52-32-28(47)29(19(43)16-50-32)53-33-27(46)26(45)25(44)21(15-42)51-33/h18-34,42-49H,8-17H2,1-7H3/t18-,19-,20-,21-,22+,23+,24+,25-,26+,27-,28-,29+,30-,31+,32+,33+,34-,37-,38-,39-,40+,41+/m1/s1",C[C@@H]1C[C@H]2O[C@@]3(O[C@@H]2C(C)(C)O)[C@H](O)[C@@]2(C)[C@@H]4CC[C@H]5C(C)(C)[C@@H](O[C@@H]6OC[C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O)CC[C@@]56C[C@@]46CC[C@]2(C)[C@@H]13,C41H66O14,pos_1_1proton2acetonitrile,782.445256792,LANJQSWIMVURCX,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Actaea cimicifuga,988720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea cimicifuga'],6,0,6.0 9518,458,-1,,,,0.0,MS1_match,MWAASJAPNVCCKT-JHNAHLGXSA-N,"InChI=1S/C41H66O14/c1-18-14-20-31(36(4,5)49)55-41(54-20)30(18)37(6)12-13-40-17-39(40)11-10-24(35(2,3)22(39)8-9-23(40)38(37,7)34(41)48)52-33-29(25(44)19(43)16-50-33)53-32-28(47)27(46)26(45)21(15-42)51-32/h18-34,42-49H,8-17H2,1-7H3/t18-,19-,20-,21-,22+,23+,24+,25+,26-,27+,28-,29-,30-,31+,32+,33+,34-,37-,38-,39-,40+,41+/m1/s1",C[C@@H]1C[C@H]2O[C@@]3(O[C@@H]2C(C)(C)O)[C@H](O)[C@@]2(C)[C@@H]4CC[C@H]5C(C)(C)[C@@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@@]56C[C@@]46CC[C@]2(C)[C@@H]13,C41H66O14,pos_1_1proton2acetonitrile,782.445256792,MWAASJAPNVCCKT,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Actaea cimicifuga,988720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea cimicifuga'],6,0,6.0 9519,458,-1,,,,0.0,MS1_match,MWAASJAPNVCCKT-JHNAHLGXSA-N,"InChI=1S/C41H66O14/c1-18-14-20-31(36(4,5)49)55-41(54-20)30(18)37(6)12-13-40-17-39(40)11-10-24(35(2,3)22(39)8-9-23(40)38(37,7)34(41)48)52-33-29(25(44)19(43)16-50-33)53-32-28(47)27(46)26(45)21(15-42)51-32/h18-34,42-49H,8-17H2,1-7H3/t18-,19-,20-,21-,22+,23+,24+,25+,26-,27+,28-,29-,30-,31+,32+,33+,34-,37-,38-,39-,40+,41+/m1/s1",C[C@@H]1C[C@H]2O[C@@]3(O[C@@H]2C(C)(C)O)[C@H](O)[C@@]2(C)[C@@H]4CC[C@H]5C(C)(C)[C@@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@@]56C[C@@]46CC[C@]2(C)[C@@H]13,C41H66O14,pos_1_1proton2acetonitrile,782.445256792,MWAASJAPNVCCKT,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Actaea elata,988729.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea elata'],6,0,6.0 9465,455,703,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IKGXIBQEEMLURG-NVPNHPEKSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O16,pos_1_1proton,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Clematis terniflora,21289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis terniflora'],9,3,10.5 9466,455,703,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IKGXIBQEEMLURG-NVPNHPEKSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O16,pos_1_1proton,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Clematis terniflora,21289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis terniflora'],9,3,10.5 9464,454,-1,,,,0.2926243,ISDB,,,,,,,NVQPWUVLWFUODC,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.170497179031372 9457,453,80,Terpenoids,Tryptophan alkaloids,Carbazole alkaloids,0.5871521,ISDB,QDISWXTVLYHRCQ-NJVBHSBISA-N,"InChI=1S/C35H40O10/c1-21(36)41-28-29(44-31(39)24-15-11-8-12-16-24)33(5)26(43-27(38)18-17-23-13-9-7-10-14-23)19-25-20-35(33,45-32(25,3)4)34(6,40)30(28)42-22(2)37/h7-18,25-26,28-30,40H,19-20H2,1-6H3/b18-17-/t25-,26+,28+,29+,30+,33-,34+,35-/m1/s1",CC(=O)O[C@H]1[C@H](OC(=O)c2ccccc2)[C@@]2(C)[C@@H](OC(=O)/C=C\c3ccccc3)C[C@@H]3C[C@]2(OC3(C)C)[C@@](C)(O)[C@H]1OC(C)=O,C35H40O10,,620.26214748,QDISWXTVLYHRCQ,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Maytenus jelskii,6092967.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Maytenus'],['Maytenus jelskii'],6,1,8.848608493804932 9202,452,571,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Clematis stans,21283.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis stans'],8,3,9.5 9203,452,571,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Clematis stans,21283.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis stans'],8,3,9.5 9204,452,571,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Clematis stans,21283.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis stans'],8,3,9.5 9191,450,21,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,IPRPPFIAVHPVJH-UHFFFAOYSA-N,"InChI=1S/C8H8O2/c9-6-5-7-1-3-8(10)4-2-7/h1-4,6,10H,5H2",O=CCc1ccc(O)cc1,C8H8O2,pos_1_1proton1ammonium,136.052429496,IPRPPFIAVHPVJH,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis parviloba,5737758.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis parviloba'],8,3,9.5 9189,446,-1,,,,0.44715533,ISDB,AFZHQMQGUKDWSJ-CCNHJUIBSA-N,"InChI=1S/C38H66O2/c1-10-11-12-13-14-20-35(39)40-27-16-19-33-31(29(4)5)21-22-34-36(33,7)25-26-37(8)32(23-24-38(34,37)9)30(6)18-15-17-28(2)3/h17,30,32-34H,10-16,18-27H2,1-9H3/t30-,32-,33+,34-,36+,37-,38+/m0/s1",CCCCCCCC(=O)OCCC[C@@H]1C(=C(C)C)CC[C@H]2[C@]1(C)CC[C@@]1(C)[C@H]([C@@H](C)CCC=C(C)C)CC[C@]21C,C38H66O2,,554.506281352,AFZHQMQGUKDWSJ,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Helianthus annuus,515712.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Helianthus'],['Helianthus annuus'],4,0,5.788621306419373 9173,445,219,Fatty acids,Fatty acyls,Fatty aldehydes,0.45777744,ISDB,LTSJTDDQUOUKJT-UHFFFAOYSA-N,"InChI=1S/C29H48O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-33-29(32)23-21-26-20-22-27(30)28(31)25-26/h20-23,25,30-31H,2-19,24H2,1H3",CCCCCCCCCCCCCCCCCCCCOC(=O)C=Cc1ccc(O)c(O)c1,C29H48O4,,460.355260016,LTSJTDDQUOUKJT,,,,Sophora tomentosa,280932.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Sophora'],['Sophora tomentosa'],4,0,5.8311097621917725 9174,445,219,Fatty acids,Fatty acyls,Fatty aldehydes,0.45777744,ISDB,LTSJTDDQUOUKJT-XTQSDGFTSA-N,"InChI=1S/C29H48O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-33-29(32)23-21-26-20-22-27(30)28(31)25-26/h20-23,25,30-31H,2-19,24H2,1H3/b23-21+",CCCCCCCCCCCCCCCCCCCCOC(=O)/C=C/c1ccc(O)c(O)c1,C29H48O4,,460.355260016,LTSJTDDQUOUKJT,,,,Glycyrrhiza inflata,284049.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Glycyrrhiza'],['Glycyrrhiza inflata'],4,0,5.8311097621917725 9175,445,219,Fatty acids,Fatty acyls,Fatty aldehydes,0.45777744,ISDB,LTSJTDDQUOUKJT-UHFFFAOYSA-N,"InChI=1S/C29H48O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-33-29(32)23-21-26-20-22-27(30)28(31)25-26/h20-23,25,30-31H,2-19,24H2,1H3",CCCCCCCCCCCCCCCCCCCCOC(=O)C=Cc1ccc(O)c(O)c1,C29H48O4,,460.355260016,LTSJTDDQUOUKJT,,,,Glycyrrhiza glabra,554264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Glycyrrhiza'],['Glycyrrhiza glabra'],4,0,5.8311097621917725 9170,444,72,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.3159283,ISDB,NMJATLITVAZZIR-CMUKFXBPSA-N,"InChI=1S/C38H75NO5/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-35(41)37(43)34(33-40)39-38(44)36(42)32-30-28-26-24-21-16-14-12-10-8-6-4-2/h17-18,34-37,40-43H,3-16,19-33H2,1-2H3,(H,39,44)/b18-17-/t34-,35+,36+,37-/m0/s1",CCCCCCCC/C=C\CCCCCCCC[C@@H](O)[C@@H](O)[C@H](CO)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C38H75NO5,,625.5645245,NMJATLITVAZZIR,Fatty acids,Sphingolipids,Ceramides,Asterias amurensis,721266.0,['Eukaryota'],['Metazoa'],['Echinodermata'],['Asteroidea'],['Forcipulatida'],['Asteriidae'],['Unknown'],['Asterias'],['Asterias amurensis'],1,2,3.263713240623474 9168,441,1100,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,0.0,MS1_match,AOCLIMDHBMBYGD-NQWMYEDTSA-N,"InChI=1S/C16H28O2/c1-10-8-12(17)13-15(10,4)9-11-6-7-16(13,5)18-14(11,2)3/h10-13,17H,6-9H2,1-5H3/t10-,11-,12-,13-,15-,16+/m1/s1",C[C@@H]1C[C@@H](O)[C@@H]2[C@]1(C)C[C@H]1CC[C@]2(C)OC1(C)C,C16H28O2,pos_2_1proton1sodium,252.208930136,AOCLIMDHBMBYGD,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,3,7.5 9165,440,-1,,,,0.26914927,ISDB,,,,,,,APWUUZRAVVATRC,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.0765970945358276 9122,439,-1,,,,0.0,MS1_match,OFMXGFHWLZPCFL-SVRPQWSVSA-N,"InChI=1S/C30H50O/c1-20-21(31)9-10-22-27(20,5)12-11-23-28(22,6)16-18-30(8)24-19-25(2,3)13-14-26(24,4)15-17-29(23,30)7/h20,22-24H,9-19H2,1-8H3/t20-,22+,23-,24+,26+,27+,28-,29+,30-/m0/s1",C[C@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C,C30H50O,pos_1_1proton1acetonitrile,426.38616622,OFMXGFHWLZPCFL,Terpenoids,Triterpenoids,Friedelane triterpenoids,Clematis montana,970477.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis montana'],8,0,8.0 9123,439,-1,,,,0.0,MS1_match,JFSHUTJDVKUMTJ-QHPUVITPSA-N,"InChI=1S/C30H50O/c1-25(2)15-16-27(5)17-18-29(7)20(21(27)19-25)9-10-23-28(6)13-12-24(31)26(3,4)22(28)11-14-30(23,29)8/h9,21-24,31H,10-19H2,1-8H3/t21-,22-,23+,24-,27+,28-,29+,30+/m0/s1",CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H50O,pos_1_1proton1acetonitrile,426.3861662199999,JFSHUTJDVKUMTJ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis montana,970477.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis montana'],8,0,8.0 9124,439,-1,,,,0.0,MS1_match,JFSHUTJDVKUMTJ-QHPUVITPSA-N,"InChI=1S/C30H50O/c1-25(2)15-16-27(5)17-18-29(7)20(21(27)19-25)9-10-23-28(6)13-12-24(31)26(3,4)22(28)11-14-30(23,29)8/h9,21-24,31H,10-19H2,1-8H3/t21-,22-,23+,24-,27+,28-,29+,30+/m0/s1",CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H50O,pos_1_1proton1acetonitrile,426.3861662199999,JFSHUTJDVKUMTJ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis montana,970477.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis montana'],8,0,8.0 9085,434,72,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.38414794,ISDB,XMDDGZCHKXAWPD-ZMDUCPJPSA-N,"InChI=1S/C42H83NO5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-39(45)41(47)38(37-44)43-42(48)40(46)36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h32,34,38-41,44-47H,3-31,33,35-37H2,1-2H3,(H,43,48)/b34-32+/t38-,39+,40+,41-/m0/s1",CCCCCCCCCCCCC/C=C/C[C@@H](O)C(=O)N[C@@H](CO)[C@H](O)[C@H](O)CCCCCCCCCCCCCCCCCCCC,C42H83NO5,,681.627124756,XMDDGZCHKXAWPD,Fatty acids,Sphingolipids,Ceramides,Pancovia laurentii,5748048.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Sapindaceae'],['Unknown'],['Pancovia'],['Pancovia laurentii'],4,2,6.5365917682647705 8927,433,-1,,,,0.8153169,ISDB,CIIDMMPURFCERH-OWVRDFCESA-N,"InChI=1S/C22H36O4/c1-14(24)26-18-10-17-19(2,13-23)8-5-9-20(17,3)16-7-6-15-11-22(16,18)12-21(15,4)25/h15-18,23,25H,5-13H2,1-4H3/t15-,16+,17-,18+,19-,20+,21-,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2[C@@](C)(CO)CCC[C@@]2(C)[C@@H]2CC[C@@H]3C[C@]12C[C@@]3(C)O,C22H36O4,,364.261359632,CIIDMMPURFCERH,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Sideritis congesta,6081606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Stachydeae'],['Sideritis'],['Sideritis congesta'],4,0,7.26126766204834 8917,430,73,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.42371783,ISDB,ADJGVADBICKKNW-DSLSCRDMSA-N,"InChI=1S/C41H62O11/c1-23(43)49-28-21-48-34(33(51-25(3)45)32(28)50-24(2)44)52-31-13-14-37(6)29(38(31,7)22-42)12-15-40(9)30(37)11-10-26-27-20-36(4,5)16-18-41(27,35(46)47)19-17-39(26,40)8/h10,27-34,42H,11-22H2,1-9H3,(H,46,47)/t27-,28-,29+,30+,31-,32-,33+,34-,37-,38-,39+,40+,41-/m0/s1",CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC=C3[C@@H]5CC(C)(C)CC[C@]5(C(=O)O)CC[C@]34C)[C@]2(C)CO)OC[C@@H]1OC(C)=O,C41H62O11,,730.429212804,ADJGVADBICKKNW,Terpenoids,Triterpenoids,Oleanane triterpenoids,Phyllanthus lawii,759796.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Phyllanthus'],['Phyllanthus lawii'],4,3,7.194871306419373 8918,430,73,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.42371783,ISDB,ADJGVADBICKKNW-DSLSCRDMSA-N,"InChI=1S/C41H62O11/c1-23(43)49-28-21-48-34(33(51-25(3)45)32(28)50-24(2)44)52-31-13-14-37(6)29(38(31,7)22-42)12-15-40(9)30(37)11-10-26-27-20-36(4,5)16-18-41(27,35(46)47)19-17-39(26,40)8/h10,27-34,42H,11-22H2,1-9H3,(H,46,47)/t27-,28-,29+,30+,31-,32-,33+,34-,37-,38-,39+,40+,41-/m0/s1",CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC=C3[C@@H]5CC(C)(C)CC[C@]5(C(=O)O)CC[C@]34C)[C@]2(C)CO)OC[C@@H]1OC(C)=O,C41H62O11,,730.429212804,ADJGVADBICKKNW,Terpenoids,Triterpenoids,Oleanane triterpenoids,Phyllanthus polyphyllus,69050.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Phyllanthus'],['Phyllanthus polyphyllus'],4,3,7.194871306419373 8916,429,7,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.24259533,ISDB,,,,,,,IGTDRTJURKLVPF,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.9703813195228577 8849,428,688,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,KMOUJOKENFFTPU-UHFFFAOYSA-N,"InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2",O=c1cc(-c2ccc(O)cc2)oc2cc(OC3OC(CO)C(O)C(O)C3O)cc(O)c12,C21H20O10,pos_1_1proton,432.1056468399998,KMOUJOKENFFTPU,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 8850,428,688,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,KMOUJOKENFFTPU-QNDFHXLGSA-N,"InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O10,pos_1_1proton,432.1056468399998,KMOUJOKENFFTPU,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Lonicera gracilipes,920854.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera gracilipes'],7,3,8.5 8851,428,688,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,KMOUJOKENFFTPU-UHFFFAOYSA-N,"InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2",O=c1cc(-c2ccc(O)cc2)oc2cc(OC3OC(CO)C(O)C(O)C3O)cc(O)c12,C21H20O10,pos_1_1proton,432.1056468399998,KMOUJOKENFFTPU,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 8852,428,688,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,KMOUJOKENFFTPU-QNDFHXLGSA-N,"InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O10,pos_1_1proton,432.1056468399998,KMOUJOKENFFTPU,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Lonicera gracilipes,920854.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera gracilipes'],7,3,8.5 8853,428,688,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,KMOUJOKENFFTPU-UHFFFAOYSA-N,"InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2",O=c1cc(-c2ccc(O)cc2)oc2cc(OC3OC(CO)C(O)C(O)C3O)cc(O)c12,C21H20O10,pos_1_1proton,432.1056468399998,KMOUJOKENFFTPU,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 8854,428,688,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,KMOUJOKENFFTPU-QNDFHXLGSA-N,"InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O10,pos_1_1proton,432.1056468399998,KMOUJOKENFFTPU,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Lonicera gracilipes,920854.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera gracilipes'],7,3,8.5 8841,427,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.32120255,ISDB,DSEWISSCBVZORR-UHFFFAOYSA-N,"InChI=1S/C11H16O4/c1-8-3-4-9(10(14)5-8)11(6-12,7-13)15-2/h3-5,12-14H,6-7H2,1-2H3",COC(CO)(CO)c1ccc(C)cc1O,C11H16O4,,212.104858992,DSEWISSCBVZORR,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Inula hupehensis,7051735.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Inula'],['Inula hupehensis'],4,1,5.784810185432434 8832,425,332,Terpenoids,Fatty acyls,Fatty aldehydes,0.0,MS1_match,MBDOYVRWFFCFHM-SNAWJCMRSA-N,"InChI=1S/C6H10O/c1-2-3-4-5-6-7/h4-6H,2-3H2,1H3/b5-4+",CCC/C=C/C=O,C6H10O,pos_2MHCH3CN,98.07316494,MBDOYVRWFFCFHM,Fatty acids,Fatty acyls,Fatty aldehydes,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 8042,424,582,Terpenoids,Diterpenoids,Estrane steroids,0.8979688,ISDB,KTPOZFYJWLGJGH-COMQUAJESA-N,"InChI=1S/C15H22O/c1-9-8-10(16)12-13-11(9)15(12,4)7-5-6-14(13,2)3/h8,11-13H,5-7H2,1-4H3/t11-,12+,13-,15+/m1/s1",CC1=CC(=O)[C@H]2[C@H]3[C@@H]1[C@]2(C)CCCC3(C)C,C15H22O,,218.167065324,KTPOZFYJWLGJGH,Terpenoids,Sesquiterpenoids,Longipinane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,1,10.091875314712524 8037,423,454,Terpenoids,Monoterpenoids,Pyrrole alkaloids,0.3739817,ISDB,SXPQRNHKSKIQRX-SECBINFHSA-N,"InChI=1S/C12H17NO4/c1-4-17-12(15)9(2)13-10(7-14)5-6-11(13)8-16-3/h5-7,9H,4,8H2,1-3H3/t9-/m1/s1",CCOC(=O)[C@@H](C)n1c(C=O)ccc1COC,C12H17NO4,,239.115758024,SXPQRNHKSKIQRX,Alkaloids,Proline alkaloids,Pyrrole alkaloids,Phlebopus portentosus,904055.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Agaricomycetes'],['Boletales'],['Boletinellaceae'],['Unknown'],['Phlebopus'],['Phlebopus portentosus'],1,3,3.995926856994629 8034,419,82,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.0,MS1_match,QYVZEPLDLPYECM-UHFFFAOYSA-N,"InChI=1S/C27H44O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-31-27(30)21-19-24-18-20-25(28)26(29)23-24/h18-21,23,28-29H,2-17,22H2,1H3",CCCCCCCCCCCCCCCCCCOC(=O)C=Cc1ccc(O)c(O)c1,C27H44O4,pos_1_1sodium1acetonitrile,432.32395988799993,QYVZEPLDLPYECM,Shikimates and Phenylpropanoids,,,Celastrus hypoleucus,1019456.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Celastrus'],['Celastrus hypoleucus'],6,0,6.0 8024,416,-1,,,,0.25597867,ISDB,OKXGQALERULNCC-JOCHJYFZSA-N,"InChI=1S/C22H28O3/c1-15(2)19-11-13-22(3)12-10-16(4-9-20(19)22)14-25-21(24)17-5-7-18(23)8-6-17/h5-8,10,15,23H,4,9,11-14H2,1-3H3/t22-/m1/s1",CC(C)C1=C2CCC(COC(=O)c3ccc(O)cc3)=CC[C@]2(C)CC1,C22H28O3,,340.203844756,OKXGQALERULNCC,Terpenoids,Sesquiterpenoids,Daucane sesquiterpenoids,Ferula hermonis,470672.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Scandiceae'],['Ferula'],['Ferula hermonis'],4,0,5.023914694786072 7958,415,582,Terpenoids,Diterpenoids,Estrane steroids,0.59686774,ISDB,NPAGDVCDWIYMMC-IZPLOLCNSA-N,"InChI=1S/C18H26O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,13-17,20H,2-9H2,1H3/t13-,14+,15+,16-,17-,18-/m0/s1",C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@H]43)[C@@H]1CC[C@@H]2O,C18H26O2,,274.193280072,NPAGDVCDWIYMMC,Terpenoids,Steroids,Estrane steroids,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],4,3,7.887470960617065 7838,414,242,Fatty acids,Sesquiterpenoids,Furans,0.0,MS1_match,PRCDDNKVZQBPNG-YBWZTWLNSA-N,"InChI=1S/C18H30O3/c1-11-9-14(20-12(2)19)15-17(11,5)10-13-7-8-18(15,6)21-16(13,3)4/h11,13-15H,7-10H2,1-6H3/t11-,13-,14-,15-,17-,18+/m1/s1",CC(=O)O[C@@H]1C[C@@H](C)[C@@]2(C)C[C@H]3CC[C@](C)(OC3(C)C)[C@H]12,C18H30O3,pos_1_1proton,294.21949482,PRCDDNKVZQBPNG,Terpenoids,Sesquiterpenoids,,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,2,7.0 7839,414,242,Fatty acids,Sesquiterpenoids,Furans,0.0,MS1_match,GMTBKCJRMNJNFL-UHFFFAOYSA-N,"InChI=1S/C17H26O2/c1-11(10-19-14(4)18)9-15-7-5-12(2)16-8-6-13(3)17(15)16/h9,12,15-16H,5-8,10H2,1-4H3",CC(=O)OCC(C)=CC1CCC(C)C2CCC(C)=C12,C17H26O2,pos_1_1proton1methanol,262.193280072,GMTBKCJRMNJNFL,Terpenoids,Sesquiterpenoids,Valerenane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,2,7.0 7840,414,242,Fatty acids,Sesquiterpenoids,Furans,0.0,MS1_match,BDYQEBZJCFGMCH-PQNDISRJSA-N,"InChI=1S/C17H26O2/c1-12(11-19-14(3)18)6-5-9-17(4)15-8-7-13(2)16(17)10-15/h6-7,15-16H,5,8-11H2,1-4H3/b12-6-/t15-,16-,17+/m0/s1",CC(=O)OC/C(C)=C\CC[C@]1(C)[C@H]2CC=C(C)[C@@H]1C2,C17H26O2,pos_1_1proton1methanol,262.193280072,BDYQEBZJCFGMCH,Terpenoids,Sesquiterpenoids,Bergamotane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,2,7.0 7801,413,199,Terpenoids,Diterpenoids,Guaiane sesquiterpenoids,0.27866125,ISDB,QTUISSYYAYQHML-UFONIEFXSA-N,"InChI=1S/C24H38O5/c1-7-19(25)28-16-17-9-10-18-21(2,3)11-8-12-23(18,5)24(17)14-13-22(4,29-24)15-20(26)27-6/h9,18H,7-8,10-16H2,1-6H3/t18-,22+,23-,24+/m0/s1",CCC(=O)OCC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@](C)(CC(=O)OC)O2,C24H38O5,,406.271924316,QTUISSYYAYQHML,Terpenoids,Diterpenoids,,Grindelia stricta,981039.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Grindelia'],['Grindelia stricta'],4,2,6.114645004272461 7802,413,199,Terpenoids,Diterpenoids,Guaiane sesquiterpenoids,0.27866125,ISDB,QTUISSYYAYQHML-ZQAWKMMESA-N,"InChI=1S/C24H38O5/c1-7-19(25)28-16-17-9-10-18-21(2,3)11-8-12-23(18,5)24(17)14-13-22(4,29-24)15-20(26)27-6/h9,18H,7-8,10-16H2,1-6H3/t18-,22-,23-,24+/m0/s1",CCC(=O)OCC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@@](C)(CC(=O)OC)O2,C24H38O5,,406.271924316,QTUISSYYAYQHML,Terpenoids,Diterpenoids,,Grindelia camporum,974633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Grindelia'],['Grindelia camporum'],4,2,6.114645004272461 7803,413,199,Terpenoids,Diterpenoids,Guaiane sesquiterpenoids,0.27866125,ISDB,QTUISSYYAYQHML-UFONIEFXSA-N,"InChI=1S/C24H38O5/c1-7-19(25)28-16-17-9-10-18-21(2,3)11-8-12-23(18,5)24(17)14-13-22(4,29-24)15-20(26)27-6/h9,18H,7-8,10-16H2,1-6H3/t18-,22+,23-,24+/m0/s1",CCC(=O)OCC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@](C)(CC(=O)OC)O2,C24H38O5,,406.271924316,QTUISSYYAYQHML,Terpenoids,Diterpenoids,,Grindelia hirsutula,278958.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Grindelia'],['Grindelia hirsutula'],4,2,6.114645004272461 7804,413,199,Terpenoids,Diterpenoids,Guaiane sesquiterpenoids,0.27866125,ISDB,QTUISSYYAYQHML-ZQAWKMMESA-N,"InChI=1S/C24H38O5/c1-7-19(25)28-16-17-9-10-18-21(2,3)11-8-12-23(18,5)24(17)14-13-22(4,29-24)15-20(26)27-6/h9,18H,7-8,10-16H2,1-6H3/t18-,22-,23-,24+/m0/s1",CCC(=O)OCC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@@](C)(CC(=O)OC)O2,C24H38O5,,406.271924316,QTUISSYYAYQHML,Terpenoids,Diterpenoids,,Grindelia squarrosa,912596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Grindelia'],['Grindelia squarrosa'],4,2,6.114645004272461 7800,412,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.77914685,ISDB,,,,,,,ZLYIWYCHNAZAQI,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,3.1165874004364014 7737,411,-1,,,,0.45729497,ISDB,POIARNZEYGURDG-FNORWQNLSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+",C/C=C/C(=O)C1=C(C)C=CCC1(C)C,C13H18O,,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Viburnum orientale,296902.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Adoxaceae'],['Unknown'],['Viburnum'],['Viburnum orientale'],5,0,6.829179883003235 7721,410,-1,,,,0.0,MS1_match,PUEUIRDVQIKCCG-UHFFFAOYSA-N,"InChI=1S/C16H22O10/c1-2-7-8(3-4-17)9(14(22)23)6-24-15(7)26-16-13(21)12(20)11(19)10(5-18)25-16/h2,4,6-8,10-13,15-16,18-21H,1,3,5H2,(H,22,23)",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)O)C1CC=O,C16H22O10,pos_1_sodium,374.1212969039999,PUEUIRDVQIKCCG,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],8,0,8.0 7722,410,-1,,,,0.0,MS1_match,PUEUIRDVQIKCCG-UHFFFAOYSA-N,"InChI=1S/C16H22O10/c1-2-7-8(3-4-17)9(14(22)23)6-24-15(7)26-16-13(21)12(20)11(19)10(5-18)25-16/h2,4,6-8,10-13,15-16,18-21H,1,3,5H2,(H,22,23)",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)O)C1CC=O,C16H22O10,pos_1_sodium,374.1212969039999,PUEUIRDVQIKCCG,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],8,0,8.0 7043,409,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,OCNYGKNIVPVPPX-HWKANZROSA-N,"InChI=1S/C10H10O4/c1-14-10(13)5-3-7-2-4-8(11)9(12)6-7/h2-6,11-12H,1H3/b5-3+",COC(=O)/C=C/c1ccc(O)c(O)c1,C10H10O4,pos_1_1proton,194.0579088,OCNYGKNIVPVPPX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera bournei,5746380.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera bournei'],7,3,8.5 7034,408,441,Polyketides,Meroterpenoids,Ophiobolane sesterterpenoids,0.24122344,ISDB,MNTJKNWRCITJMY-JCBJYGFASA-N,"InChI=1S/C25H34O4/c1-15(2)10-19-12-17(4)24(29-19)9-8-23(5)13-20-16(3)11-22(27)25(20,28)18(14-26)6-7-21(23)24/h6,10-11,14,17,19-21,28H,7-9,12-13H2,1-5H3/b18-6-/t17-,19-,20+,21+,23+,24-,25-/m0/s1",CC(C)=C[C@H]1C[C@H](C)[C@]2(CC[C@]3(C)C[C@@H]4C(C)=CC(=O)[C@]4(O)/C(C=O)=C\C[C@H]32)O1,C25H34O4,,398.245709568,MNTJKNWRCITJMY,Terpenoids,Sesterterpenoids,Ophiobolane sesterterpenoids,Bipolaris oryzae,448808.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Dothideomycetes'],['Pleosporales'],['Pleosporaceae'],['Unknown'],['Bipolaris'],['Bipolaris oryzae'],1,3,3.4648937582969666 6992,406,7,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.48338047,ISDB,BCNPTKKIVMTZFO-BWEORVRESA-N,"InChI=1S/C22H30O2/c1-17(9-6-7-14-23)10-8-11-18(2)12-13-21-19(3)15-20(24)16-22(21,4)5/h6-14,20,24H,15-16H2,1-5H3/b7-6+,10-8+,13-12+,17-9-,18-11+/t20-/m1/s1",CC1=C(/C=C/C(C)=C/C=C/C(C)=C\C=C\C=O)C(C)(C)C[C@H](O)C1,C22H30O2,,326.2245802,BCNPTKKIVMTZFO,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],0,1,2.433521866798401 6993,406,7,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.48338047,ISDB,BCNPTKKIVMTZFO-UHFFFAOYSA-N,"InChI=1S/C22H30O2/c1-17(9-6-7-14-23)10-8-11-18(2)12-13-21-19(3)15-20(24)16-22(21,4)5/h6-14,20,24H,15-16H2,1-5H3",CC(C=CC=C(C)C=CC1=C(C)CC(O)CC1(C)C)=CC=CC=O,C22H30O2,,326.2245802,BCNPTKKIVMTZFO,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],0,1,2.433521866798401 6909,404,242,Fatty acids,Sesquiterpenoids,Furans,0.0,MS1_match,VGOHBZXHAWVRBT-UHFFFAOYSA-N,"InChI=1S/C17H24O3/c1-12(19)20-11-13-5-4-6-14(10-18)9-16-15(8-7-13)17(16,2)3/h5,9-10,15-16H,4,6-8,11H2,1-3H3",CC(=O)OCC1=CCCC(C=O)=CC2C(CC1)C2(C)C,C17H24O3,pos_1_1proton,276.172544628,VGOHBZXHAWVRBT,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,2,7.0 6910,404,242,Fatty acids,Sesquiterpenoids,Furans,0.0,MS1_match,BESWSXOVDJDSKQ-HUJQHWLQSA-N,"InChI=1S/C17H24O3/c1-11-6-5-7-13(19)8-9-14-16(17(14,3)4)15(10-11)20-12(2)18/h6,8-9,14-16H,5,7,10H2,1-4H3/b9-8-,11-6-/t14-,15+,16-/m0/s1",CC(=O)O[C@@H]1C/C(C)=C\CCC(=O)/C=C\[C@H]2[C@@H]1C2(C)C,C17H24O3,pos_1_1proton,276.172544628,BESWSXOVDJDSKQ,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,Valeriana fauriei,228778.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana fauriei'],6,2,7.0 6911,404,242,Fatty acids,Sesquiterpenoids,Furans,0.0,MS1_match,BESWSXOVDJDSKQ-HUJQHWLQSA-N,"InChI=1S/C17H24O3/c1-11-6-5-7-13(19)8-9-14-16(17(14,3)4)15(10-11)20-12(2)18/h6,8-9,14-16H,5,7,10H2,1-4H3/b9-8-,11-6-/t14-,15+,16-/m0/s1",CC(=O)O[C@@H]1C/C(C)=C\CCC(=O)/C=C\[C@H]2[C@@H]1C2(C)C,C17H24O3,pos_1_1proton,276.172544628,BESWSXOVDJDSKQ,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,2,7.0 6912,404,242,Fatty acids,Sesquiterpenoids,Furans,0.0,MS1_match,MQNYOYOQPDJLJV-PEXFBTPGSA-N,"InChI=1S/C17H24O3/c1-12(18)20-11-13-5-4-6-14(19)8-10-16-15(9-7-13)17(16,2)3/h5,8,10,15-16H,4,6-7,9,11H2,1-3H3/b10-8-,13-5+/t15-,16+/m1/s1",CC(=O)OC/C1=C/CCC(=O)/C=C\[C@H]2[C@@H](CC1)C2(C)C,C17H24O3,pos_1_1proton,276.172544628,MQNYOYOQPDJLJV,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,Valeriana fauriei,228778.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana fauriei'],6,2,7.0 6913,404,242,Fatty acids,Sesquiterpenoids,Furans,0.0,MS1_match,MQNYOYOQPDJLJV-PEXFBTPGSA-N,"InChI=1S/C17H24O3/c1-12(18)20-11-13-5-4-6-14(19)8-10-16-15(9-7-13)17(16,2)3/h5,8,10,15-16H,4,6-7,9,11H2,1-3H3/b10-8-,13-5+/t15-,16+/m1/s1",CC(=O)OC/C1=C/CCC(=O)/C=C\[C@H]2[C@@H](CC1)C2(C)C,C17H24O3,pos_1_1proton,276.172544628,MQNYOYOQPDJLJV,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,2,7.0 6914,404,242,Fatty acids,Sesquiterpenoids,Furans,0.0,MS1_match,VGOHBZXHAWVRBT-UHFFFAOYSA-N,"InChI=1S/C17H24O3/c1-12(19)20-11-13-5-4-6-14(10-18)9-16-15(8-7-13)17(16,2)3/h5,9-10,15-16H,4,6-8,11H2,1-3H3",CC(=O)OCC1=CCCC(C=O)=CC2C(CC1)C2(C)C,C17H24O3,pos_1_1proton,276.172544628,VGOHBZXHAWVRBT,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,Valeriana dageletiana,7625130.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana dageletiana'],6,2,7.0 6907,402,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,BMRSEYFENKXDIS-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O8,pos_1_1proton,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 6908,402,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,BMRSEYFENKXDIS-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O8,pos_1_1proton,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 6735,399,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,OCNYGKNIVPVPPX-HWKANZROSA-N,"InChI=1S/C10H10O4/c1-14-10(13)5-3-7-2-4-8(11)9(12)6-7/h2-6,11-12H,1H3/b5-3+",COC(=O)/C=C/c1ccc(O)c(O)c1,C10H10O4,pos_1_1proton,194.0579088,OCNYGKNIVPVPPX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera bournei,5746380.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera bournei'],7,3,8.5 6734,397,340,Fatty acids,Fatty amides,Wax monoesters,0.27715066,ISDB,ZPPOXVDQLJMPLN-JHHNBRACSA-N,"InChI=1S/C20H37NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(22)16-19(23)21-17(2)20(24)25-3/h9-10,17-18,22H,4-8,11-16H2,1-3H3,(H,21,23)/b10-9-/t17-,18?/m0/s1",CCCCCC/C=C\CCCCCC(O)CC(=O)N[C@@H](C)C(=O)OC,C20H37NO4,,355.272258664,ZPPOXVDQLJMPLN,Fatty acids,Fatty amides,N-acyl amines,Roseovarius tolerans,191091.0,['Bacteria'],['Unknown'],['Proteobacteria'],['Alphaproteobacteria'],['Rhodobacterales'],['Rhodobacteraceae'],['Unknown'],['Roseovarius'],['Roseovarius tolerans'],0,2,2.1086026430130005 6728,396,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.76615214,ISDB,WCVUIHQUPRXYKT-RGCIIANRSA-N,"InChI=1S/C18H24O12/c1-8-16(9(19)3-4-27-8)30-17-15(25)14(24)13(23)10(29-17)7-28-12(22)6-18(2,26)5-11(20)21/h3-4,10,13-15,17,23-26H,5-7H2,1-2H3,(H,20,21)/t10-,13-,14+,15-,17+,18?/m1/s1",Cc1occc(=O)c1O[C@@H]1O[C@H](COC(=O)CC(C)(O)CC(=O)O)[C@@H](O)[C@H](O)[C@H]1O,C18H24O12,,432.126776208,WCVUIHQUPRXYKT,,,,Glycine max,681762.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Glycine max'],4,0,7.064608573913574 6729,396,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.76615214,ISDB,WCVUIHQUPRXYKT-GWQNOCNDSA-N,"InChI=1S/C18H24O12/c1-8-16(9(19)3-4-27-8)30-17-15(25)14(24)13(23)10(29-17)7-28-12(22)6-18(2,26)5-11(20)21/h3-4,10,13-15,17,23-26H,5-7H2,1-2H3,(H,20,21)/t10-,13-,14+,15-,17+,18+/m1/s1",Cc1occc(=O)c1O[C@@H]1O[C@H](COC(=O)C[C@@](C)(O)CC(=O)O)[C@@H](O)[C@H](O)[C@H]1O,C18H24O12,,432.126776208,WCVUIHQUPRXYKT,,,,Helichrysum arenarium,338550.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Helichrysum'],['Helichrysum arenarium'],4,0,7.064608573913574 6730,396,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.76615214,ISDB,WCVUIHQUPRXYKT-GWQNOCNDSA-N,"InChI=1S/C18H24O12/c1-8-16(9(19)3-4-27-8)30-17-15(25)14(24)13(23)10(29-17)7-28-12(22)6-18(2,26)5-11(20)21/h3-4,10,13-15,17,23-26H,5-7H2,1-2H3,(H,20,21)/t10-,13-,14+,15-,17+,18+/m1/s1",Cc1occc(=O)c1O[C@@H]1O[C@H](COC(=O)C[C@@](C)(O)CC(=O)O)[C@@H](O)[C@H](O)[C@H]1O,C18H24O12,,432.126776208,WCVUIHQUPRXYKT,,,,Glycyrrhiza glabra,554264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Glycyrrhiza'],['Glycyrrhiza glabra'],4,0,7.064608573913574 6731,396,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.76615214,ISDB,WCVUIHQUPRXYKT-UHFFFAOYSA-N,"InChI=1S/C18H24O12/c1-8-16(9(19)3-4-27-8)30-17-15(25)14(24)13(23)10(29-17)7-28-12(22)6-18(2,26)5-11(20)21/h3-4,10,13-15,17,23-26H,5-7H2,1-2H3,(H,20,21)",Cc1occc(=O)c1OC1OC(COC(=O)CC(C)(O)CC(=O)O)C(O)C(O)C1O,C18H24O12,,432.126776208,WCVUIHQUPRXYKT,,,,Genista numidica,1022926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Genista'],['Genista numidica'],4,0,7.064608573913574 6732,396,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.76615214,ISDB,WCVUIHQUPRXYKT-UHFFFAOYSA-N,"InChI=1S/C18H24O12/c1-8-16(9(19)3-4-27-8)30-17-15(25)14(24)13(23)10(29-17)7-28-12(22)6-18(2,26)5-11(20)21/h3-4,10,13-15,17,23-26H,5-7H2,1-2H3,(H,20,21)",Cc1occc(=O)c1OC1OC(COC(=O)CC(C)(O)CC(=O)O)C(O)C(O)C1O,C18H24O12,,432.126776208,WCVUIHQUPRXYKT,,,,Ononis arvensis,1072859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Ononis'],['Ononis arvensis'],4,0,7.064608573913574 6733,396,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.76615214,ISDB,WCVUIHQUPRXYKT-UHFFFAOYSA-N,"InChI=1S/C18H24O12/c1-8-16(9(19)3-4-27-8)30-17-15(25)14(24)13(23)10(29-17)7-28-12(22)6-18(2,26)5-11(20)21/h3-4,10,13-15,17,23-26H,5-7H2,1-2H3,(H,20,21)",Cc1occc(=O)c1OC1OC(COC(=O)CC(C)(O)CC(=O)O)C(O)C(O)C1O,C18H24O12,,432.126776208,WCVUIHQUPRXYKT,,,,Herniaria glabra,300043.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Paronychieae'],['Herniaria'],['Herniaria glabra'],4,0,7.064608573913574 6561,395,982,Terpenoids,Diterpenoids,Pregnane steroids,0.545009,ISDB,PQNOCJMPOHKMIT-HMCHPOHQSA-N,"InChI=1S/C22H36O4/c1-5-12-16(23)11-22(4)14-6-7-15-18(25)19(26)17(24)10-20(15,2)13(14)8-9-21(12,22)3/h12-15,17-19,24-26H,5-11H2,1-4H3/t12-,13-,14+,15+,17-,18+,19-,20+,21+,22-/m0/s1",CC[C@H]1C(=O)C[C@@]2(C)[C@@H]3CC[C@@H]4[C@@H](O)[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C,C22H36O4,,364.261359632,PQNOCJMPOHKMIT,Terpenoids,Steroids,Pregnane steroids,Dysoxylum densiflorum,5747793.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Dysoxylum'],['Dysoxylum densiflorum'],4,3,7.6800360679626465 6562,395,982,Terpenoids,Diterpenoids,Pregnane steroids,0.545009,ISDB,PQNOCJMPOHKMIT-HMCHPOHQSA-N,"InChI=1S/C22H36O4/c1-5-12-16(23)11-22(4)14-6-7-15-18(25)19(26)17(24)10-20(15,2)13(14)8-9-21(12,22)3/h12-15,17-19,24-26H,5-11H2,1-4H3/t12-,13-,14+,15+,17-,18+,19-,20+,21+,22-/m0/s1",CC[C@H]1C(=O)C[C@@]2(C)[C@@H]3CC[C@@H]4[C@@H](O)[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C,C22H36O4,,364.261359632,PQNOCJMPOHKMIT,Terpenoids,Steroids,Pregnane steroids,Epicharis densiflora,5747793.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Dysoxylum'],['Dysoxylum densiflorum'],4,3,7.6800360679626465 6549,394,7,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.58174324,ISDB,PAUIQDPAEDELMC-CKBMHYDUSA-N,"InChI=1S/C25H34O2/c1-19(10-7-8-11-21(3)18-26)12-9-13-20(2)14-15-24-22(4)16-23(27)17-25(24,5)6/h7-15,18,23,27H,16-17H2,1-6H3/b8-7+,12-9+,15-14+,19-10-,20-13+,21-11+/t23-/m1/s1",CC1=C(/C=C/C(C)=C/C=C/C(C)=C\C=C\C=C(/C)C=O)C(C)(C)C[C@H](O)C1,C25H34O2,,366.255880328,PAUIQDPAEDELMC,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],0,1,2.8269729614257812 6550,394,7,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.58174324,ISDB,PAUIQDPAEDELMC-HEZGKBSMSA-N,"InChI=1S/C25H34O2/c1-19(10-7-8-11-21(3)18-26)12-9-13-20(2)14-15-24-22(4)16-23(27)17-25(24,5)6/h7-15,18,23,27H,16-17H2,1-6H3/b8-7+,12-9+,15-14+,19-10+,20-13+,21-11+/t23-/m1/s1",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(\C)C=O)C(C)(C)C[C@H](O)C1,C25H34O2,,366.255880328,PAUIQDPAEDELMC,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Flavobacterium,174848.0,['Bacteria'],['Unknown'],['Bacteroidetes'],['Flavobacteria'],['Flavobacteriales'],['Flavobacteriaceae'],['Unknown'],['Flavobacterium'],['Unknown'],0,1,2.8269729614257812 6542,393,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.2972201,ISDB,DLHGNEVRISSXIV-UHFFFAOYSA-N,"InChI=1S/C10H8O3/c1-6-5-9(12)7-3-2-4-8(11)10(7)13-6/h2-5,11H,1H3",Cc1cc(=O)c2cccc(O)c2o1,C10H8O3,,176.047344116,DLHGNEVRISSXIV,Polyketides,Chromanes,Chromones,Halenia elliptica,862722.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Gentianaceae'],['Gentianeae'],['Halenia'],['Halenia elliptica'],4,0,5.188880443572998 6525,392,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,CCRXMHCQWYVXTE-AWALXHGNSA-N,"InChI=1S/C47H76O18/c1-42(2)13-15-47(41(59)65-40-37(58)34(55)32(53)26(63-40)20-61-38-36(57)33(54)31(52)25(18-48)62-38)16-14-45(5)22(23(47)17-42)7-8-28-43(3)11-10-29(64-39-35(56)30(51)24(50)19-60-39)44(4,21-49)27(43)9-12-46(28,45)6/h7,23-40,48-58H,8-21H2,1-6H3/t23-,24+,25+,26+,27+,28+,29-,30+,31+,32+,33-,34-,35-,36+,37+,38+,39-,40-,43-,44-,45+,46+,47-/m0/s1",CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@@H](O)[C@@H](O)[C@@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C47H76O18,pos_1_1proton1ammonium,928.503165592,CCRXMHCQWYVXTE,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lonicera nigra,179065.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera nigra'],8,3,9.5 6526,392,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,CCRXMHCQWYVXTE-AWALXHGNSA-N,"InChI=1S/C47H76O18/c1-42(2)13-15-47(41(59)65-40-37(58)34(55)32(53)26(63-40)20-61-38-36(57)33(54)31(52)25(18-48)62-38)16-14-45(5)22(23(47)17-42)7-8-28-43(3)11-10-29(64-39-35(56)30(51)24(50)19-60-39)44(4,21-49)27(43)9-12-46(28,45)6/h7,23-40,48-58H,8-21H2,1-6H3/t23-,24+,25+,26+,27+,28+,29-,30+,31+,32+,33-,34-,35-,36+,37+,38+,39-,40-,43-,44-,45+,46+,47-/m0/s1",CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@@H](O)[C@@H](O)[C@@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C47H76O18,pos_1_1proton1ammonium,928.503165592,CCRXMHCQWYVXTE,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lonicera nigra,179065.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera nigra'],8,3,9.5 6390,390,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.5764149,ISDB,XFSSKYLJQBBIKJ-UHFFFAOYSA-N,"InChI=1S/C11H12O4/c1-7(2)5-11(14)15-10-6-8(12)3-4-9(10)13/h3-6,12-13H,1-2H3",CC(C)=CC(=O)Oc1cc(O)ccc1O,C11H12O4,,208.073558864,XFSSKYLJQBBIKJ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Calea prunifolia,7606947.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Neurolaeneae'],['Calea'],['Calea prunifolia'],4,3,7.805659532546997 6391,390,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.5764149,ISDB,XFSSKYLJQBBIKJ-UHFFFAOYSA-N,"InChI=1S/C11H12O4/c1-7(2)5-11(14)15-10-6-8(12)3-4-9(10)13/h3-6,12-13H,1-2H3",CC(C)=CC(=O)Oc1cc(O)ccc1O,C11H12O4,,208.073558864,XFSSKYLJQBBIKJ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Calea jamaicensis,431707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Neurolaeneae'],['Calea'],['Calea jamaicensis'],4,3,7.805659532546997 6380,388,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RTATXGUCZHCSNG-QHWHWDPRSA-N,"InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O15,pos_1_1proton,594.15847026,RTATXGUCZHCSNG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 6378,387,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.3049952,ISDB,CYEFUTNNSBRMEB-ICCSCHITSA-N,"InChI=1S/C19H22O11/c20-11-3-1-9(5-12(11)21)2-4-14(22)28-8-13-16(24)17(25)18(26)19(30-13)29-10-6-15(23)27-7-10/h1-5,10,13,16-21,24-26H,6-8H2/b4-2+/t10-,13+,16+,17-,18+,19+/m0/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O[C@@H]2COC(=O)C2)[C@H](O)[C@@H](O)[C@@H]1O,C19H22O11,,426.1162115239999,CYEFUTNNSBRMEB,,,,Sarracenia purpurea,137603.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Sarraceniaceae'],['Unknown'],['Sarracenia'],['Sarracenia purpurea'],4,0,5.219980835914612 6372,386,1223,Terpenoids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,VKOBVWXKNCXXDE-UHFFFAOYSA-N,"InChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H,21,22)",CCCCCCCCCCCCCCCCCCCC(=O)O,C20H40O2,pos_2_2proton2acetonitrile,312.30283052,VKOBVWXKNCXXDE,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Nigella sativa,142360.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Nigelleae'],['Nigella'],['Nigella sativa'],6,3,7.5 6373,386,1223,Terpenoids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,VKOBVWXKNCXXDE-UHFFFAOYSA-N,"InChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H,21,22)",CCCCCCCCCCCCCCCCCCCC(=O)O,C20H40O2,pos_2_2proton2acetonitrile,312.30283052,VKOBVWXKNCXXDE,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Staphisagria macrosperma,969162.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Staphisagria'],['Staphisagria macrosperma'],6,3,7.5 6374,386,1223,Terpenoids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,VKOBVWXKNCXXDE-UHFFFAOYSA-N,"InChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H,21,22)",CCCCCCCCCCCCCCCCCCCC(=O)O,C20H40O2,pos_2_2proton2acetonitrile,312.30283052,VKOBVWXKNCXXDE,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Delphinium staphisagria,969162.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Staphisagria'],['Staphisagria macrosperma'],6,3,7.5 6375,386,1223,Terpenoids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,VKOBVWXKNCXXDE-UHFFFAOYSA-N,"InChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H,21,22)",CCCCCCCCCCCCCCCCCCCC(=O)O,C20H40O2,pos_2_2proton2acetonitrile,312.30283052,VKOBVWXKNCXXDE,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Delphinium consolida,756488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida ajacis'],6,3,7.5 6376,386,1223,Terpenoids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,VKOBVWXKNCXXDE-UHFFFAOYSA-N,"InChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H,21,22)",CCCCCCCCCCCCCCCCCCCC(=O)O,C20H40O2,pos_2_2proton2acetonitrile,312.30283052,VKOBVWXKNCXXDE,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Consolida regalis,733334.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida regalis'],6,3,7.5 6377,386,1223,Terpenoids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,VKOBVWXKNCXXDE-UHFFFAOYSA-N,"InChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H,21,22)",CCCCCCCCCCCCCCCCCCCC(=O)O,C20H40O2,pos_2_2proton2acetonitrile,312.30283052,VKOBVWXKNCXXDE,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Ranunculus sceleratus,747491.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus sceleratus'],6,3,7.5 6370,383,7,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.31928253,ISDB,NXIXBHMKUKUWCV-VSGBNLITSA-N,"InChI=1S/C29H36O/c1-23(2)10-9-15-26-17-20-28(29(30)21-18-25-13-7-4-8-14-25)27(22-26)19-16-24-11-5-3-6-12-24/h3-8,10-14,17,27-28H,9,15-16,18-22H2,1-2H3/t27-,28-/m1/s1",CC(C)=CCCC1=CC[C@@H](C(=O)CCc2ccccc2)[C@H](CCc2ccccc2)C1,C29H36O,,400.276615772,NXIXBHMKUKUWCV,Terpenoids,,,Alpinia officinarum,477388.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Alpinia'],['Alpinia officinarum'],4,1,5.777130126953125 6248,382,153,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.56997544,ISDB,UVIHEQDHSJMULB-PEYNGXJCSA-N,"InChI=1S/C17H24O11/c1-3-7-8(4-11(19)25-2)9(15(23)24)6-26-16(7)28-17-14(22)13(21)12(20)10(5-18)27-17/h3,6-8,10,12-14,16-18,20-22H,1,4-5H2,2H3,(H,23,24)/t7-,8+,10-,12-,13+,14-,16+,17+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)O)[C@H]1CC(=O)OC,C17H24O11,,404.1318615879998,UVIHEQDHSJMULB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,10.77990174293518 6186,381,153,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,RODXRVNMMDRFIK-UHFFFAOYSA-N,"InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3",COc1cc2ccc(=O)oc2cc1O,C10H8O4,pos_1_1proton1methanol,192.042258736,RODXRVNMMDRFIK,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Lonicera hypoleuca,5746397.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera hypoleuca'],7,0,7.0 6160,380,-1,,,,0.79631346,ISDB,QFIHQWXKTUONPL-UHFFFAOYSA-N,"InChI=1S/C18H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h14-17H,2-13H2,1H3,(H2,19,20)",CCCCCCCCCCCCCC=CC=CC(N)=O,C18H33NO,,279.256214676,QFIHQWXKTUONPL,,,,Piper longum,97780.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper longum'],4,0,7.185253858566284 5967,377,7,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.27951214,ISDB,JRHJXXLCNATYLS-NGZWBNMCSA-N,"InChI=1S/C40H56O3/c1-28(17-13-18-30(3)21-22-35-32(5)23-33(41)25-38(35,6)7)15-11-12-16-29(2)19-14-20-31(4)36-24-37-39(8,9)26-34(42)27-40(37,10)43-36/h11-24,33-36,41-42H,25-27H2,1-10H3/b12-11+,17-13+,19-14+,22-21+,28-15+,29-16+,30-18+,31-20+/t33-,34-,35-,36+,40+/m0/s1",CC1=C[C@H](O)CC(C)(C)[C@H]1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)[C@H]1C=C2C(C)(C)C[C@H](O)C[C@@]2(C)O1,C40H56O3,,584.422945652,JRHJXXLCNATYLS,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-ε)",Ranunculus acris,387818.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus acris'],6,2,8.118048548698425 5965,375,432,Polyketides,Glycerolipids,Glycosyldiacylglycerols,0.4570604,ISDB,,,,,,,ZUYBPGVWQFOYNA,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.8282415866851807 5956,372,-1,,,,0.4549707,ISDB,,,,,,,OXCBLCXMXYMXFP,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.8198827505111694 5947,366,-1,,,,0.0,MS1_match,CDAISMWEOUEBRE-GPIVLXJGSA-N,"InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6-",O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O,C6H12O6,pos_1_sodium,180.063388104,CDAISMWEOUEBRE,Carbohydrates,Polyols,Cyclitols,Lonicera bournei,5746380.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera bournei'],7,0,7.0 5945,365,58,Polyketides,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,KDYAPQVYJXUQNY-OPHDRXFHSA-N,"InChI=1S/C51H84O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42(53)61-36-39(64-43(54)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-62-50-49(60)47(58)45(56)41(66-50)38-63-51-48(59)46(57)44(55)40(35-52)65-51/h5-8,11-14,17-20,39-41,44-52,55-60H,3-4,9-10,15-16,21-38H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t39-,40-,41-,44+,45+,46+,47+,48-,49-,50-,51+/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C51H84O15,pos_1_1proton1ammonium,936.5810219880002,KDYAPQVYJXUQNY,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Ranunculus fluitans,961752.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus fluitans'],6,3,7.5 5946,365,58,Polyketides,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,KDYAPQVYJXUQNY-OPHDRXFHSA-N,"InChI=1S/C51H84O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42(53)61-36-39(64-43(54)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-62-50-49(60)47(58)45(56)41(66-50)38-63-51-48(59)46(57)44(55)40(35-52)65-51/h5-8,11-14,17-20,39-41,44-52,55-60H,3-4,9-10,15-16,21-38H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t39-,40-,41-,44+,45+,46+,47+,48-,49-,50-,51+/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C51H84O15,pos_1_1proton1ammonium,936.5810219880002,KDYAPQVYJXUQNY,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Ranunculus fluitans,961752.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus fluitans'],6,3,7.5 5943,362,739,Alkaloids,Triterpenoids,Oleanane triterpenoids,0.3165793,ISDB,SFKCKJXMIAKQMY-QJERPKBESA-N,"InChI=1S/C55H74N4O6/c1-13-39-34(7)41-29-46-48(38(11)60)36(9)43(57-46)27-42-35(8)40(52(58-42)50-51(55(63)64-12)54(62)49-37(10)44(59-53(49)50)28-45(39)56-41)23-24-47(61)65-26-25-33(6)22-16-21-32(5)20-15-19-31(4)18-14-17-30(2)3/h13,25,27-32,34-35,40,51,57,59H,14-24,26H2,1-12H3/b33-25+,39-13-,41-29?,42-27?,43-27?,44-28?,45-28?,46-29?,52-50?/t31-,32-,34-,35+,40+,51-/m1/s1",C/C=C1\c2cc3[nH]c4c(c3C)C(=O)[C@H](C(=O)OC)c4c3nc(cc4[nH]c(cc(n2)[C@@H]1C)c(C(C)=O)c4C)[C@@H](C)[C@@H]3CCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C,C55H74N4O6,,886.560836088,SFKCKJXMIAKQMY,Alkaloids,,,Blastochloris viridis,659978.0,['Bacteria'],['Unknown'],['Proteobacteria'],['Alphaproteobacteria'],['Rhizobiales'],['Hyphomicrobiaceae'],['Unknown'],['Blastochloris'],['Blastochloris viridis'],0,1,1.7663172483444214 5938,358,29,Terpenoids,Triterpenoids,"Carotenoids (C40, Ψ-Ψ)",0.25250012,ISDB,AARQIJVWMWVDNS-DSFCUWQCSA-N,"InChI=1S/C46H87NO9/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-35-40(50)45(54)47-38(37-55-46-44(53)43(52)42(51)41(36-48)56-46)39(49)34-32-30-28-26-24-22-16-14-12-10-8-6-4-2/h24,26,32,34,38-44,46,48-53H,3-23,25,27-31,33,35-37H2,1-2H3,(H,47,54)/b26-24+,34-32+/t38-,39+,40+,41+,42+,43-,44+,46+/m0/s1",CCCCCCCCC/C=C/CC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCCCCCCCC,C46H87NO9,,797.6380833640001,AARQIJVWMWVDNS,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Sauromatum giganteum,377417.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Alismatales'],['Araceae'],['Areae'],['Sauromatum'],['Sauromatum giganteum'],4,0,5.010000467300415 5936,356,7,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.25699914,ISDB,VLEXYJYNPNSQRM-XRXBZNFBSA-N,"InChI=1S/C36H57NO4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-34(38)40-27-31(35(2,3)39)30-26-37-32-23-22-28(24-29(30)32)25-33-36(4,5)41-33/h13-14,22-24,26,31,33,37,39H,6-12,15-21,25,27H2,1-5H3/b14-13-/t31-,33+/m1/s1",CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](c1c[nH]c2ccc(C[C@@H]3OC3(C)C)cc12)C(C)(C)O,C36H57NO4,,567.428759304,VLEXYJYNPNSQRM,,,,Hexalobus crispiflorus,6284.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Monodoreae'],['Hexalobus'],['Hexalobus crispiflorus'],4,0,5.02799654006958 5888,353,29,Terpenoids,Triterpenoids,"Carotenoids (C40, Ψ-Ψ)",0.32459897,ISDB,YVLPJIGOMTXXLP-BHLJUDRVSA-N,"InChI=1S/C40H64/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,19-22,27-30H,13-18,23-26,31-32H2,1-10H3/b12-11-,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+",CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C=C\C=C(/C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C,C40H64,,544.500802048,YVLPJIGOMTXXLP,Terpenoids,Carotenoids (C40),"Carotenoids (C40, Ψ-Ψ)",Oryza sativa,709894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza sativa'],4,3,6.798395872116089 5889,353,29,Terpenoids,Triterpenoids,"Carotenoids (C40, Ψ-Ψ)",0.32459897,ISDB,YVLPJIGOMTXXLP-BHLJUDRVSA-N,"InChI=1S/C40H64/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,19-22,27-30H,13-18,23-26,31-32H2,1-10H3/b12-11-,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+",CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C=C\C=C(/C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C,C40H64,,544.500802048,YVLPJIGOMTXXLP,Terpenoids,Carotenoids (C40),"Carotenoids (C40, Ψ-Ψ)",Glycyrrhiza glabra,554264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Glycyrrhiza'],['Glycyrrhiza glabra'],4,3,6.798395872116089 5890,353,29,Terpenoids,Triterpenoids,"Carotenoids (C40, Ψ-Ψ)",0.32459897,ISDB,YVLPJIGOMTXXLP-KEKOKYSKSA-N,"InChI=1S/C40H64/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,19-22,27-30H,13-18,23-26,31-32H2,1-10H3/b12-11+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+",CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C=C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C,C40H64,,544.500802048,YVLPJIGOMTXXLP,Terpenoids,Carotenoids (C40),"Carotenoids (C40, Ψ-Ψ)",Ononis repens,1047599.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Ononis'],['Ononis repens'],4,3,6.798395872116089 5891,353,29,Terpenoids,Triterpenoids,"Carotenoids (C40, Ψ-Ψ)",0.32459897,ISDB,YVLPJIGOMTXXLP-BAHRDPFUSA-N,"InChI=1S/C40H64/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,19-22,27-30H,13-18,23-26,31-32H2,1-10H3/b12-11?,35-21+,36-22?,37-27?,38-28?,39-29?,40-30?",CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CC=C/C=C(\C)CCC=C(C)CCC=C(C)CCC=C(C)C,C40H64,,544.500802048,YVLPJIGOMTXXLP,Terpenoids,Carotenoids (C40),"Carotenoids (C40, Ψ-Ψ)",Pyrus communis,972654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus communis'],4,3,6.798395872116089 5892,353,29,Terpenoids,Triterpenoids,"Carotenoids (C40, Ψ-Ψ)",0.32459897,ISDB,YVLPJIGOMTXXLP-BHLJUDRVSA-N,"InChI=1S/C40H64/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,19-22,27-30H,13-18,23-26,31-32H2,1-10H3/b12-11-,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+",CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C=C\C=C(/C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C,C40H64,,544.500802048,YVLPJIGOMTXXLP,Terpenoids,Carotenoids (C40),"Carotenoids (C40, Ψ-Ψ)",Mangifera indica,807634.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Anacardiaceae'],['Unknown'],['Mangifera'],['Mangifera indica'],4,3,6.798395872116089 5893,353,29,Terpenoids,Triterpenoids,"Carotenoids (C40, Ψ-Ψ)",0.32459897,ISDB,YVLPJIGOMTXXLP-BHLJUDRVSA-N,"InChI=1S/C40H64/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,19-22,27-30H,13-18,23-26,31-32H2,1-10H3/b12-11-,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+",CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C=C\C=C(/C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C,C40H64,,544.500802048,YVLPJIGOMTXXLP,Terpenoids,Carotenoids (C40),"Carotenoids (C40, Ψ-Ψ)",Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],4,3,6.798395872116089 5894,353,29,Terpenoids,Triterpenoids,"Carotenoids (C40, Ψ-Ψ)",0.32459897,ISDB,YVLPJIGOMTXXLP-BHLJUDRVSA-N,"InChI=1S/C40H64/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,19-22,27-30H,13-18,23-26,31-32H2,1-10H3/b12-11-,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+",CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C=C\C=C(/C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C,C40H64,,544.500802048,YVLPJIGOMTXXLP,Terpenoids,Carotenoids (C40),"Carotenoids (C40, Ψ-Ψ)",Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],4,3,6.798395872116089 5895,353,29,Terpenoids,Triterpenoids,"Carotenoids (C40, Ψ-Ψ)",0.32459897,ISDB,YVLPJIGOMTXXLP-BHLJUDRVSA-N,"InChI=1S/C40H64/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,19-22,27-30H,13-18,23-26,31-32H2,1-10H3/b12-11-,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+",CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C=C\C=C(/C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C,C40H64,,544.500802048,YVLPJIGOMTXXLP,Terpenoids,Carotenoids (C40),"Carotenoids (C40, Ψ-Ψ)",Cucumis melo,1006256.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cucurbitales'],['Cucurbitaceae'],['Benincaseae'],['Cucumis'],['Cucumis melo'],4,3,6.798395872116089 5896,353,29,Terpenoids,Triterpenoids,"Carotenoids (C40, Ψ-Ψ)",0.32459897,ISDB,YVLPJIGOMTXXLP-BHLJUDRVSA-N,"InChI=1S/C40H64/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,19-22,27-30H,13-18,23-26,31-32H2,1-10H3/b12-11-,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+",CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C=C\C=C(/C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C,C40H64,,544.500802048,YVLPJIGOMTXXLP,Terpenoids,Carotenoids (C40),"Carotenoids (C40, Ψ-Ψ)",Citrus paradisi,3942423.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Citrus'],['Citrus aurantium'],4,3,6.798395872116089 5897,353,29,Terpenoids,Triterpenoids,"Carotenoids (C40, Ψ-Ψ)",0.32459897,ISDB,YVLPJIGOMTXXLP-BAHRDPFUSA-N,"InChI=1S/C40H64/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,19-22,27-30H,13-18,23-26,31-32H2,1-10H3/b12-11?,35-21+,36-22?,37-27?,38-28?,39-29?,40-30?",CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CC=C/C=C(\C)CCC=C(C)CCC=C(C)CCC=C(C)C,C40H64,,544.500802048,YVLPJIGOMTXXLP,Terpenoids,Carotenoids (C40),"Carotenoids (C40, Ψ-Ψ)",Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],4,3,6.798395872116089 5898,353,29,Terpenoids,Triterpenoids,"Carotenoids (C40, Ψ-Ψ)",0.32459897,ISDB,YVLPJIGOMTXXLP-KEKOKYSKSA-N,"InChI=1S/C40H64/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,19-22,27-30H,13-18,23-26,31-32H2,1-10H3/b12-11+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+",CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C=C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C,C40H64,,544.500802048,YVLPJIGOMTXXLP,Terpenoids,Carotenoids (C40),"Carotenoids (C40, Ψ-Ψ)",Olea europaea,23729.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Oleaceae'],['Oleeae'],['Olea'],['Olea europaea'],4,3,6.798395872116089 5899,353,29,Terpenoids,Triterpenoids,"Carotenoids (C40, Ψ-Ψ)",0.32459897,ISDB,YVLPJIGOMTXXLP-KEKOKYSKSA-N,"InChI=1S/C40H64/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,19-22,27-30H,13-18,23-26,31-32H2,1-10H3/b12-11+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+",CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C=C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C,C40H64,,544.500802048,YVLPJIGOMTXXLP,Terpenoids,Carotenoids (C40),"Carotenoids (C40, Ψ-Ψ)",Vitis vinifera,756728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Vitales'],['Vitaceae'],['Viteae'],['Vitis'],['Vitis vinifera'],4,3,6.798395872116089 5900,353,29,Terpenoids,Triterpenoids,"Carotenoids (C40, Ψ-Ψ)",0.32459897,ISDB,YVLPJIGOMTXXLP-BHLJUDRVSA-N,"InChI=1S/C40H64/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,19-22,27-30H,13-18,23-26,31-32H2,1-10H3/b12-11-,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+",CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C=C\C=C(/C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C,C40H64,,544.500802048,YVLPJIGOMTXXLP,Terpenoids,Carotenoids (C40),"Carotenoids (C40, Ψ-Ψ)",Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],4,3,6.798395872116089 5901,353,29,Terpenoids,Triterpenoids,"Carotenoids (C40, Ψ-Ψ)",0.32459897,ISDB,YVLPJIGOMTXXLP-KEKOKYSKSA-N,"InChI=1S/C40H64/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,19-22,27-30H,13-18,23-26,31-32H2,1-10H3/b12-11+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+",CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C=C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C,C40H64,,544.500802048,YVLPJIGOMTXXLP,Terpenoids,Carotenoids (C40),"Carotenoids (C40, Ψ-Ψ)",Hibiscus syriacus,930407.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Hibiscus'],['Hibiscus syriacus'],4,3,6.798395872116089 5902,353,29,Terpenoids,Triterpenoids,"Carotenoids (C40, Ψ-Ψ)",0.32459897,ISDB,YVLPJIGOMTXXLP-KEKOKYSKSA-N,"InChI=1S/C40H64/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,19-22,27-30H,13-18,23-26,31-32H2,1-10H3/b12-11+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+",CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C=C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C,C40H64,,544.500802048,YVLPJIGOMTXXLP,Terpenoids,Carotenoids (C40),"Carotenoids (C40, Ψ-Ψ)",Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],4,3,6.798395872116089 5903,353,29,Terpenoids,Triterpenoids,"Carotenoids (C40, Ψ-Ψ)",0.32459897,ISDB,YVLPJIGOMTXXLP-UHFFFAOYSA-N,"InChI=1S/C40H64/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,19-22,27-30H,13-18,23-26,31-32H2,1-10H3",CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CC=CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C,C40H64,,544.500802048,YVLPJIGOMTXXLP,Terpenoids,Carotenoids (C40),"Carotenoids (C40, Ψ-Ψ)",Crocus sativus,542824.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Iridaceae'],['Croceae'],['Crocus'],['Crocus sativus'],4,3,6.798395872116089 5904,353,29,Terpenoids,Triterpenoids,"Carotenoids (C40, Ψ-Ψ)",0.32459897,ISDB,YVLPJIGOMTXXLP-BAHRDPFUSA-N,"InChI=1S/C40H64/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,19-22,27-30H,13-18,23-26,31-32H2,1-10H3/b12-11?,35-21+,36-22?,37-27?,38-28?,39-29?,40-30?",CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CC=C/C=C(\C)CCC=C(C)CCC=C(C)CCC=C(C)C,C40H64,,544.500802048,YVLPJIGOMTXXLP,Terpenoids,Carotenoids (C40),"Carotenoids (C40, Ψ-Ψ)",Dracaena draco,107686.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Asparagaceae'],['Unknown'],['Dracaena'],['Dracaena draco'],4,3,6.798395872116089 5905,353,29,Terpenoids,Triterpenoids,"Carotenoids (C40, Ψ-Ψ)",0.32459897,ISDB,YVLPJIGOMTXXLP-BAHRDPFUSA-N,"InChI=1S/C40H64/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,19-22,27-30H,13-18,23-26,31-32H2,1-10H3/b12-11?,35-21+,36-22?,37-27?,38-28?,39-29?,40-30?",CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CC=C/C=C(\C)CCC=C(C)CCC=C(C)CCC=C(C)C,C40H64,,544.500802048,YVLPJIGOMTXXLP,Terpenoids,Carotenoids (C40),"Carotenoids (C40, Ψ-Ψ)",Diospyros kaki,352883.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ebenaceae'],['Unknown'],['Diospyros'],['Diospyros kaki'],4,3,6.798395872116089 5906,353,29,Terpenoids,Triterpenoids,"Carotenoids (C40, Ψ-Ψ)",0.32459897,ISDB,YVLPJIGOMTXXLP-BAHRDPFUSA-N,"InChI=1S/C40H64/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,19-22,27-30H,13-18,23-26,31-32H2,1-10H3/b12-11?,35-21+,36-22?,37-27?,38-28?,39-29?,40-30?",CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CC=C/C=C(\C)CCC=C(C)CCC=C(C)CCC=C(C)C,C40H64,,544.500802048,YVLPJIGOMTXXLP,Terpenoids,Carotenoids (C40),"Carotenoids (C40, Ψ-Ψ)",Celastrus orbiculatus,56757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Celastrus'],['Celastrus orbiculatus'],4,3,6.798395872116089 5907,353,29,Terpenoids,Triterpenoids,"Carotenoids (C40, Ψ-Ψ)",0.32459897,ISDB,YVLPJIGOMTXXLP-KEKOKYSKSA-N,"InChI=1S/C40H64/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,19-22,27-30H,13-18,23-26,31-32H2,1-10H3/b12-11+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+",CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C=C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C,C40H64,,544.500802048,YVLPJIGOMTXXLP,Terpenoids,Carotenoids (C40),"Carotenoids (C40, Ψ-Ψ)",Zea mays,605194.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Zea'],['Zea mays'],4,3,6.798395872116089 5908,353,29,Terpenoids,Triterpenoids,"Carotenoids (C40, Ψ-Ψ)",0.32459897,ISDB,YVLPJIGOMTXXLP-BAHRDPFUSA-N,"InChI=1S/C40H64/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,19-22,27-30H,13-18,23-26,31-32H2,1-10H3/b12-11?,35-21+,36-22?,37-27?,38-28?,39-29?,40-30?",CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CC=C/C=C(\C)CCC=C(C)CCC=C(C)CCC=C(C)C,C40H64,,544.500802048,YVLPJIGOMTXXLP,Terpenoids,Carotenoids (C40),"Carotenoids (C40, Ψ-Ψ)",Rosa pomifera,1091505.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa villosa'],4,3,6.798395872116089 5909,353,29,Terpenoids,Triterpenoids,"Carotenoids (C40, Ψ-Ψ)",0.32459897,ISDB,YVLPJIGOMTXXLP-KEKOKYSKSA-N,"InChI=1S/C40H64/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,19-22,27-30H,13-18,23-26,31-32H2,1-10H3/b12-11+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+",CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C=C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C,C40H64,,544.500802048,YVLPJIGOMTXXLP,Terpenoids,Carotenoids (C40),"Carotenoids (C40, Ψ-Ψ)",Pisum sativum,359905.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Fabeae'],['Pisum'],['Pisum sativum'],4,3,6.798395872116089 5910,353,29,Terpenoids,Triterpenoids,"Carotenoids (C40, Ψ-Ψ)",0.32459897,ISDB,YVLPJIGOMTXXLP-BAHRDPFUSA-N,"InChI=1S/C40H64/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,19-22,27-30H,13-18,23-26,31-32H2,1-10H3/b12-11?,35-21+,36-22?,37-27?,38-28?,39-29?,40-30?",CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CC=C/C=C(\C)CCC=C(C)CCC=C(C)CCC=C(C)C,C40H64,,544.500802048,YVLPJIGOMTXXLP,Terpenoids,Carotenoids (C40),"Carotenoids (C40, Ψ-Ψ)",Rosa villosa,1091505.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa villosa'],4,3,6.798395872116089 5911,353,29,Terpenoids,Triterpenoids,"Carotenoids (C40, Ψ-Ψ)",0.32459897,ISDB,YVLPJIGOMTXXLP-KEKOKYSKSA-N,"InChI=1S/C40H64/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,19-22,27-30H,13-18,23-26,31-32H2,1-10H3/b12-11+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+",CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C=C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C,C40H64,,544.500802048,YVLPJIGOMTXXLP,Terpenoids,Carotenoids (C40),"Carotenoids (C40, Ψ-Ψ)",Dovyalis,196514.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Salicaceae'],['Flacourtieae'],['Dovyalis'],['Unknown'],4,3,6.798395872116089 5912,353,29,Terpenoids,Triterpenoids,"Carotenoids (C40, Ψ-Ψ)",0.32459897,ISDB,YVLPJIGOMTXXLP-UHFFFAOYSA-N,"InChI=1S/C40H64/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,19-22,27-30H,13-18,23-26,31-32H2,1-10H3",CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CC=CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C,C40H64,,544.500802048,YVLPJIGOMTXXLP,Terpenoids,Carotenoids (C40),"Carotenoids (C40, Ψ-Ψ)",Passiflora edulis,183517.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Passifloraceae'],['Unknown'],['Passiflora'],['Passiflora edulis'],4,3,6.798395872116089 5764,342,213,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.5380442,ISDB,ZNJFBWYDHIGLCU-HWKXXFMVSA-N,"InChI=1S/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/b4-3-/t9-,10-/m1/s1",CC/C=C\C[C@H]1C(=O)CC[C@@H]1CC(=O)O,C12H18O3,,210.125594436,ZNJFBWYDHIGLCU,Fatty acids,Octadecanoids,Jasmonic acids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,8.152176856994629 5654,339,702,Alkaloids,Sesquiterpenoids,Aporphine alkaloids,0.0,MS1_match,YLRXAIKMLINXQY-ZDUSSCGKSA-O,"InChI=1S/C20H23NO4/c1-21(2)8-7-12-10-15(25-4)20(23)18-16(12)13(21)9-11-5-6-14(24-3)19(22)17(11)18/h5-6,10,13H,7-9H2,1-4H3,(H-,22,23)/p+1/t13-/m0/s1",COc1ccc2c(c1O)-c1c(O)c(OC)cc3c1[C@H](C2)[N+](C)(C)CC3,C20H24NO4+,pos_2_2proton1ammonium,342.1699846680899,YLRXAIKMLINXQY,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Clematis recta,972679.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis recta'],8,3,9.5 5655,339,702,Alkaloids,Sesquiterpenoids,Aporphine alkaloids,0.0,MS1_match,YLRXAIKMLINXQY-ZDUSSCGKSA-O,"InChI=1S/C20H23NO4/c1-21(2)8-7-12-10-15(25-4)20(23)18-16(12)13(21)9-11-5-6-14(24-3)19(22)17(11)18/h5-6,10,13H,7-9H2,1-4H3,(H-,22,23)/p+1/t13-/m0/s1",COc1ccc2c(c1O)-c1c(O)c(OC)cc3c1[C@H](C2)[N+](C)(C)CC3,C20H24NO4+,pos_2_2proton1ammonium,342.1699846680899,YLRXAIKMLINXQY,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Clematis vitalba,756499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis vitalba'],8,3,9.5 5656,339,702,Alkaloids,Sesquiterpenoids,Aporphine alkaloids,0.0,MS1_match,YLRXAIKMLINXQY-ZDUSSCGKSA-O,"InChI=1S/C20H23NO4/c1-21(2)8-7-12-10-15(25-4)20(23)18-16(12)13(21)9-11-5-6-14(24-3)19(22)17(11)18/h5-6,10,13H,7-9H2,1-4H3,(H-,22,23)/p+1/t13-/m0/s1",COc1ccc2c(c1O)-c1c(O)c(OC)cc3c1[C@H](C2)[N+](C)(C)CC3,C20H24NO4+,pos_2_2proton1ammonium,342.1699846680899,YLRXAIKMLINXQY,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Clematis parviloba,5737758.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis parviloba'],8,3,9.5 5541,337,1,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,OCNYGKNIVPVPPX-HWKANZROSA-N,"InChI=1S/C10H10O4/c1-14-10(13)5-3-7-2-4-8(11)9(12)6-7/h2-6,11-12H,1H3/b5-3+",COC(=O)/C=C/c1ccc(O)c(O)c1,C10H10O4,pos_1_1proton1methanol,194.0579088,OCNYGKNIVPVPPX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera bournei,5746380.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera bournei'],7,0,7.0 5387,335,679,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,0.76916146,ISDB,UOLUQSRSSLEMQA-POFXHGHASA-N,"InChI=1S/C22H36O3/c1-4-24-18-19(2)9-5-10-22(14-25-18)16(19)8-11-21-12-15(6-7-17(21)22)20(3,23)13-21/h15-18,23H,4-14H2,1-3H3/t15-,16-,17-,18+,19-,20-,21+,22+/m1/s1",CCO[C@H]1OC[C@@]23CCC[C@]1(C)[C@H]2CC[C@@]12C[C@@H](CC[C@H]13)[C@](C)(O)C2,C22H36O3,,348.266445012,UOLUQSRSSLEMQA,Terpenoids,Diterpenoids,Norkaurane diterpenoids,Tripterygium wilfordii,300831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium wilfordii'],6,2,10.076645851135254 5386,334,-1,,,,0.0,MS1_match,YPZVRDVFGRFZHP-PCUDRXQQSA-N,"InChI=1S/C35H54O16/c1-15-29(51-31-27(43)25(41)24(40)21(12-36)50-31)26(42)28(44)30(48-15)49-17-3-6-33(14-37)23-19(4-7-34(33,45)10-17)35(46)8-5-18(16-9-22(39)47-13-16)32(35,2)11-20(23)38/h9,15,17-21,23-31,36-38,40-46H,3-8,10-14H2,1-2H3/t15-,17+,18-,19-,20-,21-,23-,24-,25-,26+,27-,28-,29-,30+,31+,32-,33+,34+,35+/m1/s1",C[C@H]1O[C@@H](O[C@H]2CC[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1O,C35H54O16,pos_3_1proton2sodium,730.3411856480001,YPZVRDVFGRFZHP,Terpenoids,Steroids,Cardenolides,Elaeodendron alluaudianum,6092541.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Elaeodendron'],['Elaeodendron alluaudianum'],6,0,6.0 5300,333,1468,Terpenoids,Monoterpenoids,Simple phenolic acids,0.0,MS1_match,YPZQHCLBLRWNMJ-OPRDCNLKSA-N,"InChI=1S/C10H16O2/c1-4-10(3)6-5-9(12-10)8(2)7-11/h4,7-9H,1,5-6H2,2-3H3/t8-,9-,10-/m1/s1",C=C[C@]1(C)CC[C@H]([C@H](C)C=O)O1,C10H16O2,pos_1_1proton,168.115029752,YPZQHCLBLRWNMJ,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,2,8.0 5288,331,-1,,,,0.3836566,ISDB,,,,,,,FHFVOPNRJSTEAZ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.5346263647079468 5284,329,7,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.20265853,ISDB,UKUPHONHODZPDA-RPQNWQSJSA-N,"InChI=1S/C21H39NO7/c1-2-3-4-9-12-16(24)13-10-7-5-6-8-11-14-17(25)18(26)19(27)21(22,15-23)20(28)29/h11,14,17-19,23,25-27H,2-10,12-13,15,22H2,1H3,(H,28,29)/b14-11+/t17-,18+,19-,21-/m0/s1",CCCCCCC(=O)CCCCCC/C=C/[C@H](O)[C@@H](O)[C@H](O)[C@@](N)(CO)C(=O)O,C21H39NO7,,417.272652588,UKUPHONHODZPDA,Fatty acids,Sphingolipids,Sphingoid bases,Aspergillus fumigatus,278828.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Aspergillus'],['Aspergillus fumigatus'],1,0,1.8106341361999512 5285,329,7,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.20265853,ISDB,UKUPHONHODZPDA-RPQNWQSJSA-N,"InChI=1S/C21H39NO7/c1-2-3-4-9-12-16(24)13-10-7-5-6-8-11-14-17(25)18(26)19(27)21(22,15-23)20(28)29/h11,14,17-19,23,25-27H,2-10,12-13,15,22H2,1H3,(H,28,29)/b14-11+/t17-,18+,19-,21-/m0/s1",CCCCCCC(=O)CCCCCC/C=C/[C@H](O)[C@@H](O)[C@H](O)[C@@](N)(CO)C(=O)O,C21H39NO7,,417.272652588,UKUPHONHODZPDA,Fatty acids,Sphingolipids,Sphingoid bases,Paecilomyces variotii,203037.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Paecilomyces'],['Paecilomyces variotii'],1,0,1.8106341361999512 5283,328,219,Fatty acids,Fatty acyls,Fatty aldehydes,0.0,MS1_match,CJPNOLIZCWDHJK-UHFFFAOYSA-N,"InChI=1S/C15H30O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(2)16/h3-14H2,1-2H3",CCCCCCCCCCCCCC(C)=O,C15H30O,pos_1_1proton1ammonium,226.22966558,CJPNOLIZCWDHJK,Fatty acids,Fatty acyls,Oxygenated hydrocarbons,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,2,8.0 5280,323,-1,,,,0.0,MS1_match,FLCYLPQGSMGINE-UJWYFFHYSA-N,"InChI=1S/C26H43NO6/c1-6-15-21-23(13-28)9-8-18(32-4)25(21)16-10-14-17(31-3)11-24(29,19(16)20(14)33-5)26(15,30)22(25)27(7-2)12-23/h14-22,28-30H,6-13H2,1-5H3/t14-,15+,16-,17+,18+,19-,20+,21-,22+,23+,24-,25+,26-/m1/s1",CC[C@H]1[C@@H]2[C@@]3(CO)CC[C@H](OC)[C@@]24[C@@H]2C[C@H]5[C@H](OC)[C@@H]2[C@](O)(C[C@@H]5OC)[C@]1(O)[C@H]4N(CC)C3,C26H43NO6,pos_2_2proton1ammonium,465.3090380959999,FLCYLPQGSMGINE,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium crispulum,309502.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium crispulum'],6,0,6.0 5281,323,-1,,,,0.0,MS1_match,FLCYLPQGSMGINE-UJWYFFHYSA-N,"InChI=1S/C26H43NO6/c1-6-15-21-23(13-28)9-8-18(32-4)25(21)16-10-14-17(31-3)11-24(29,19(16)20(14)33-5)26(15,30)22(25)27(7-2)12-23/h14-22,28-30H,6-13H2,1-5H3/t14-,15+,16-,17+,18+,19-,20+,21-,22+,23+,24-,25+,26-/m1/s1",CC[C@H]1[C@@H]2[C@@]3(CO)CC[C@H](OC)[C@@]24[C@@H]2C[C@H]5[C@H](OC)[C@@H]2[C@](O)(C[C@@H]5OC)[C@]1(O)[C@H]4N(CC)C3,C26H43NO6,pos_2_2proton1ammonium,465.3090380959999,FLCYLPQGSMGINE,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium linearilobum,7591246.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium linearilobum'],6,0,6.0 5282,323,-1,,,,0.0,MS1_match,ORBNFGSLPINTIF-QPVXARCPSA-N,"InChI=1S/C26H43NO6/c1-7-27-12-24(13-28)9-8-17(30-3)26-15-10-14-16(29-2)11-25(33-6,18(15)20(14)31-4)19(23(26)27)21(32-5)22(24)26/h14-23,28H,7-13H2,1-6H3/t14-,15-,16+,17-,18-,19-,20-,21-,22+,23+,24-,25-,26-/m1/s1",CCN1C[C@@]2(CO)CC[C@@H](OC)[C@]34[C@@H]5C[C@H]6[C@@H](OC)[C@@H]5[C@](OC)(C[C@@H]6OC)[C@H]([C@@H](OC)[C@@H]23)[C@H]14,C26H43NO6,pos_2_2proton1ammonium,465.309038096,ORBNFGSLPINTIF,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium hohenackeri,591154.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitella'],['Aconitella hohenackeri'],6,0,6.0 5272,322,-1,,,,0.0,MS1_match,YVBAUDVGOFCUSG-UHFFFAOYSA-N,"InChI=1S/C9H14O/c1-2-3-4-6-9-7-5-8-10-9/h5,7-8H,2-4,6H2,1H3",CCCCCc1ccco1,C9H14O,pos_2MHNH3,138.104465068,YVBAUDVGOFCUSG,Polyketides,Cyclic polyketides,Furans,Patrinia villosa,971855.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia villosa'],6,0,6.0 5273,322,-1,,,,0.0,MS1_match,AOCLIMDHBMBYGD-NQWMYEDTSA-N,"InChI=1S/C16H28O2/c1-10-8-12(17)13-15(10,4)9-11-6-7-16(13,5)18-14(11,2)3/h10-13,17H,6-9H2,1-5H3/t10-,11-,12-,13-,15-,16+/m1/s1",C[C@@H]1C[C@@H](O)[C@@H]2[C@]1(C)C[C@H]1CC[C@]2(C)OC1(C)C,C16H28O2,pos_1_1proton1acetonitrile,252.208930136,AOCLIMDHBMBYGD,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 5274,322,-1,,,,0.0,MS1_match,LVBXEMGDVWVTGY-VOTSOKGWSA-N,"InChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h6-8H,2-5H2,1H3/b7-6+",CCCCC/C=C/C=O,C8H14O,pos_2MHCH3CN,126.104465068,LVBXEMGDVWVTGY,Fatty acids,Fatty acyls,Fatty aldehydes,Patrinia villosa,971855.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia villosa'],6,0,6.0 5271,320,-1,,,,0.23185788,ISDB,,,,,,,UGUPRXALLBSXDM,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.9274315237998962 5215,319,173,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.744287,ISDB,KZYVOZABVXLALY-UHFFFAOYSA-N,"InChI=1S/C9H12O2/c1-3-4-7-6(2)8(10)5-9(7)11/h3,8,10H,1,4-5H2,2H3",C=CCC1=C(C)C(O)CC1=O,C9H12O2,,152.083729624,KZYVOZABVXLALY,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Zanthoxylum simulans,889927.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum simulans'],4,2,7.977148056030273 5202,317,-1,,,,0.0,MS1_match,XXZPXRQPWFAXCK-WQFMGJDKSA-N,"InChI=1S/C17H26O5/c1-10(2)7-15(19)22-17-16-11(3)5-6-14(16)13(9-21-17)8-20-12(4)18/h9-11,14,16-17H,5-8H2,1-4H3/t11-,14+,16+,17-/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2[C@@H]1CC[C@@H]2C,C17H26O5,pos_1_1proton,310.178023932,XXZPXRQPWFAXCK,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 4992,316,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.26232672,ISDB,PUEUIRDVQIKCCG-UHFFFAOYSA-N,"InChI=1S/C16H22O10/c1-2-7-8(3-4-17)9(14(22)23)6-24-15(7)26-16-13(21)12(20)11(19)10(5-18)25-16/h2,4,6-8,10-13,15-16,18-21H,1,3,5H2,(H,22,23)",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)O)C1CC=O,C16H22O10,,374.1212969039999,PUEUIRDVQIKCCG,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],8,2,10.049306869506836 4983,310,642,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WQSDYZZEIBAPIN-VBQORRLJSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+/t10-,12-,13+,14-,15+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O9,pos_1_1proton,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis tashiroi,21287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tashiroi'],8,3,9.5 4984,310,642,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WQSDYZZEIBAPIN-VBQORRLJSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+/t10-,12-,13+,14-,15+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O9,pos_1_1proton,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis tashiroi,21287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tashiroi'],8,3,9.5 4985,310,642,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WQSDYZZEIBAPIN-VBQORRLJSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+/t10-,12-,13+,14-,15+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O9,pos_1_1proton,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis tashiroi,21287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tashiroi'],8,3,9.5 4986,310,642,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,OHEYCHKLBCPRLZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(24-10)23-9-3-1-7(5-8(9)17)2-4-11(18)19/h1-5,10,12-17,20-22H,6H2,(H,18,19)/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1,C15H18O9,pos_1_1proton,342.09508215599993,OHEYCHKLBCPRLZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis tashiroi,21287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tashiroi'],8,3,9.5 4987,310,642,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,OHEYCHKLBCPRLZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(24-10)23-9-3-1-7(5-8(9)17)2-4-11(18)19/h1-5,10,12-17,20-22H,6H2,(H,18,19)/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1,C15H18O9,pos_1_1proton,342.09508215599993,OHEYCHKLBCPRLZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis tashiroi,21287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tashiroi'],8,3,9.5 4988,310,642,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,OHEYCHKLBCPRLZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(24-10)23-9-3-1-7(5-8(9)17)2-4-11(18)19/h1-5,10,12-17,20-22H,6H2,(H,18,19)/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1,C15H18O9,pos_1_1proton,342.09508215599993,OHEYCHKLBCPRLZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis tashiroi,21287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tashiroi'],8,3,9.5 4989,310,642,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JVVFTHAOTNXPOZ-SSLCBRODSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1proton,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis tashiroi,21287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tashiroi'],8,3,9.5 4990,310,642,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JVVFTHAOTNXPOZ-SSLCBRODSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1proton,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis tashiroi,21287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tashiroi'],8,3,9.5 4982,309,65,Alkaloids,Lysine alkaloids,N-acyl amines,0.2409057,ISDB,YVWVILBCUPRAIC-LKFDHHINSA-N,"InChI=1S/C16H27NO2/c1-2-3-4-5-6-7-8-9-10-14-11-12-16(19)15(13-18)17-14/h5-10,14-19H,2-4,11-13H2,1H3/b6-5+,8-7+,10-9+/t14-,15-,16-/m1/s1",CCCC/C=C/C=C/C=C/[C@@H]1CC[C@@H](O)[C@@H](CO)N1,C16H27NO2,,265.204179104,YVWVILBCUPRAIC,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Microcos philippinensis,6116647.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Grewieae'],['Microcos'],['Microcos philippinensis'],4,2,5.963622808456421 4938,308,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,RAYZRCGMIDUTKS-UHFFFAOYSA-N,"InChI=1S/C17H24O10/c1-3-7-8-4-11(23-2)26-15(22)9(8)6-24-16(7)27-17-14(21)13(20)12(19)10(5-18)25-17/h3,6-8,10-14,16-21H,1,4-5H2,2H3",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C2C(=O)OC(OC)CC21,C17H24O10,pos_1_1proton1ammonium,388.136946968,RAYZRCGMIDUTKS,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera macrantha,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,2,8.0 4939,308,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,CSKKDSFETGLMSB-NRZPKYKESA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11-,12-,13+,14-,16+,17+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC=O,C17H24O10,pos_1_1proton1ammonium,388.1369469679999,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera korolkowii,692192.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera korolkowii'],7,2,8.0 4940,308,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,CSKKDSFETGLMSB-NRZPKYKESA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11-,12-,13+,14-,16+,17+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC=O,C17H24O10,pos_1_1proton1ammonium,388.1369469679999,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera dioica,920862.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera dioica'],7,2,8.0 4941,308,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,CSKKDSFETGLMSB-NRZPKYKESA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11-,12-,13+,14-,16+,17+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC=O,C17H24O10,pos_1_1proton1ammonium,388.1369469679999,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera tatarica,980069.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],7,2,8.0 4942,308,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,CSKKDSFETGLMSB-QOMIBOLPSA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11-,12-,13+,14-,16+,17-/m1/s1",C=C[C@H]1[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC=O,C17H24O10,pos_1_1proton1ammonium,388.136946968,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera periclymenum,811893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera periclymenum'],7,2,8.0 4943,308,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,CSKKDSFETGLMSB-UHFFFAOYSA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC=O,C17H24O10,pos_1_1proton1ammonium,388.1369469679999,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera morrowii,484242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],7,2,8.0 4944,308,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,CSKKDSFETGLMSB-FUJZYWHJSA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11-,12-,13+,14-,16-,17+/m1/s1",C=C[C@H]1[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC=O,C17H24O10,pos_1_1proton1ammonium,388.136946968,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,2,8.0 4945,308,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,CSKKDSFETGLMSB-NRZPKYKESA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11-,12-,13+,14-,16+,17+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC=O,C17H24O10,pos_1_1proton1ammonium,388.1369469679999,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],7,2,8.0 4946,308,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,CSKKDSFETGLMSB-NRZPKYKESA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11-,12-,13+,14-,16+,17+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC=O,C17H24O10,pos_1_1proton1ammonium,388.1369469679999,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera dioica,920862.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera dioica'],7,2,8.0 4947,308,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,CSKKDSFETGLMSB-NRZPKYKESA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11-,12-,13+,14-,16+,17+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC=O,C17H24O10,pos_1_1proton1ammonium,388.1369469679999,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera tatarica,980069.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],7,2,8.0 4948,308,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,CSKKDSFETGLMSB-QOMIBOLPSA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11-,12-,13+,14-,16+,17-/m1/s1",C=C[C@H]1[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC=O,C17H24O10,pos_1_1proton1ammonium,388.136946968,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera periclymenum,811893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera periclymenum'],7,2,8.0 4949,308,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,CSKKDSFETGLMSB-UHFFFAOYSA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC=O,C17H24O10,pos_1_1proton1ammonium,388.1369469679999,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera morrowii,484242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],7,2,8.0 4950,308,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,CSKKDSFETGLMSB-FUJZYWHJSA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11-,12-,13+,14-,16-,17+/m1/s1",C=C[C@H]1[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC=O,C17H24O10,pos_1_1proton1ammonium,388.136946968,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,2,8.0 4951,308,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,CSKKDSFETGLMSB-NRZPKYKESA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11-,12-,13+,14-,16+,17+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC=O,C17H24O10,pos_1_1proton1ammonium,388.1369469679999,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],7,2,8.0 4952,308,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,CSKKDSFETGLMSB-NRZPKYKESA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11-,12-,13+,14-,16+,17+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC=O,C17H24O10,pos_1_1proton1ammonium,388.1369469679999,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera korolkowii,692192.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera korolkowii'],7,2,8.0 4953,308,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,LPOVXLVQNSEZGE-PMRPVAAPSA-N,"InChI=1S/C17H24O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,10-14,16-18,20-22H,3-4H2,1-2H3/t6-,7+,10+,11+,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1CC(=O)[C@@H]2C,C17H24O10,pos_1_1proton1ammonium,388.1369469679999,LPOVXLVQNSEZGE,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera morrowii,484242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],7,2,8.0 4954,308,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,RAYZRCGMIDUTKS-UHFFFAOYSA-N,"InChI=1S/C17H24O10/c1-3-7-8-4-11(23-2)26-15(22)9(8)6-24-16(7)27-17-14(21)13(20)12(19)10(5-18)25-17/h3,6-8,10-14,16-21H,1,4-5H2,2H3",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C2C(=O)OC(OC)CC21,C17H24O10,pos_1_1proton1ammonium,388.136946968,RAYZRCGMIDUTKS,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera fulvotomentosa,650610.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera fulvotomentosa'],7,2,8.0 4955,308,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,RAYZRCGMIDUTKS-UHFFFAOYSA-N,"InChI=1S/C17H24O10/c1-3-7-8-4-11(23-2)26-15(22)9(8)6-24-16(7)27-17-14(21)13(20)12(19)10(5-18)25-17/h3,6-8,10-14,16-21H,1,4-5H2,2H3",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C2C(=O)OC(OC)CC21,C17H24O10,pos_1_1proton1ammonium,388.136946968,RAYZRCGMIDUTKS,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera hypoglauca,235196.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera hypoglauca'],7,2,8.0 4956,308,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,RAYZRCGMIDUTKS-UHFFFAOYSA-N,"InChI=1S/C17H24O10/c1-3-7-8-4-11(23-2)26-15(22)9(8)6-24-16(7)27-17-14(21)13(20)12(19)10(5-18)25-17/h3,6-8,10-14,16-21H,1,4-5H2,2H3",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C2C(=O)OC(OC)CC21,C17H24O10,pos_1_1proton1ammonium,388.136946968,RAYZRCGMIDUTKS,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera confusa,594829.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera confusa'],7,2,8.0 4957,308,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,RAYZRCGMIDUTKS-RJFLBQOQSA-N,"InChI=1S/C17H24O10/c1-3-7-8-4-11(23-2)26-15(22)9(8)6-24-16(7)27-17-14(21)13(20)12(19)10(5-18)25-17/h3,6-8,10-14,16-21H,1,4-5H2,2H3/t7-,8+,10-,11+,12-,13+,14-,16+,17+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)O[C@H](OC)C[C@H]21,C17H24O10,pos_1_1proton1ammonium,388.1369469679999,RAYZRCGMIDUTKS,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,2,8.0 4958,308,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,RAYZRCGMIDUTKS-UHFFFAOYSA-N,"InChI=1S/C17H24O10/c1-3-7-8-4-11(23-2)26-15(22)9(8)6-24-16(7)27-17-14(21)13(20)12(19)10(5-18)25-17/h3,6-8,10-14,16-21H,1,4-5H2,2H3",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C2C(=O)OC(OC)CC21,C17H24O10,pos_1_1proton1ammonium,388.136946968,RAYZRCGMIDUTKS,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera macrantha,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,2,8.0 4959,308,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,RAYZRCGMIDUTKS-UHFFFAOYSA-N,"InChI=1S/C17H24O10/c1-3-7-8-4-11(23-2)26-15(22)9(8)6-24-16(7)27-17-14(21)13(20)12(19)10(5-18)25-17/h3,6-8,10-14,16-21H,1,4-5H2,2H3",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C2C(=O)OC(OC)CC21,C17H24O10,pos_1_1proton1ammonium,388.136946968,RAYZRCGMIDUTKS,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera fulvotomentosa,650610.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera fulvotomentosa'],7,2,8.0 4960,308,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,LPOVXLVQNSEZGE-UHFFFAOYSA-N,"InChI=1S/C17H24O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,10-14,16-18,20-22H,3-4H2,1-2H3",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(C)C(=O)CC12,C17H24O10,pos_1_1proton1ammonium,388.1369469679999,LPOVXLVQNSEZGE,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],7,2,8.0 4961,308,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,RAYZRCGMIDUTKS-UHFFFAOYSA-N,"InChI=1S/C17H24O10/c1-3-7-8-4-11(23-2)26-15(22)9(8)6-24-16(7)27-17-14(21)13(20)12(19)10(5-18)25-17/h3,6-8,10-14,16-21H,1,4-5H2,2H3",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C2C(=O)OC(OC)CC21,C17H24O10,pos_1_1proton1ammonium,388.136946968,RAYZRCGMIDUTKS,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera hypoglauca,235196.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera hypoglauca'],7,2,8.0 4962,308,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,LPOVXLVQNSEZGE-UHFFFAOYSA-N,"InChI=1S/C17H24O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,10-14,16-18,20-22H,3-4H2,1-2H3",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(C)C(=O)CC12,C17H24O10,pos_1_1proton1ammonium,388.1369469679999,LPOVXLVQNSEZGE,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],7,2,8.0 4963,308,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,RAYZRCGMIDUTKS-UHFFFAOYSA-N,"InChI=1S/C17H24O10/c1-3-7-8-4-11(23-2)26-15(22)9(8)6-24-16(7)27-17-14(21)13(20)12(19)10(5-18)25-17/h3,6-8,10-14,16-21H,1,4-5H2,2H3",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C2C(=O)OC(OC)CC21,C17H24O10,pos_1_1proton1ammonium,388.136946968,RAYZRCGMIDUTKS,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera confusa,594829.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera confusa'],7,2,8.0 4964,308,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,RAYZRCGMIDUTKS-RJFLBQOQSA-N,"InChI=1S/C17H24O10/c1-3-7-8-4-11(23-2)26-15(22)9(8)6-24-16(7)27-17-14(21)13(20)12(19)10(5-18)25-17/h3,6-8,10-14,16-21H,1,4-5H2,2H3/t7-,8+,10-,11+,12-,13+,14-,16+,17+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)O[C@H](OC)C[C@H]21,C17H24O10,pos_1_1proton1ammonium,388.1369469679999,RAYZRCGMIDUTKS,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,2,8.0 4965,308,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,LPOVXLVQNSEZGE-PMRPVAAPSA-N,"InChI=1S/C17H24O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,10-14,16-18,20-22H,3-4H2,1-2H3/t6-,7+,10+,11+,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1CC(=O)[C@@H]2C,C17H24O10,pos_1_1proton1ammonium,388.1369469679999,LPOVXLVQNSEZGE,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera morrowii,484242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],7,2,8.0 4936,306,-1,,,,0.6577552,ISDB,,,,,,,VXUKZOXLZJQOHU,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.6310207843780518 4935,305,759,Alkaloids,Tyrosine alkaloids,Terpenoid alkaloids,0.3246846,ISDB,,,,,,,HFVDXGMRYRRPLH,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.2987383604049683 4934,304,114,Terpenoids,Triterpenoids,Friedelane triterpenoids,0.0,MS1_match,DPKBLLFCUGWECD-GTYQNAEWSA-N,"InChI=1S/C28H46O3/c1-18-19(29)7-8-20-24(18,3)10-9-21-25(20,4)12-13-27(6)22-17-23(2,30)11-15-28(22,31)16-14-26(21,27)5/h18,20-22,30-31H,7-17H2,1-6H3/t18-,20+,21-,22-,23+,24+,25-,26+,27-,28-/m0/s1",C[C@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(O)CC[C@]3(O)CC[C@]12C,C28H46O3,pos_1_1potassium,430.344695332,DPKBLLFCUGWECD,Terpenoids,Triterpenoids,Friedelane triterpenoids,Euonymus laxiflorus,310705.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus laxiflorus'],7,3,8.5 4930,303,-1,,,,0.0,MS1_match,BTJGSIVUSIUKPV-DNZCMCMLSA-N,"InChI=1S/C32H44N2O7/c1-5-34-15-30(16-41-29(37)18-8-6-7-9-22(18)33-17(2)35)11-10-25(40-4)32-20-12-19-23(39-3)14-31(38,26(20)27(19)36)21(28(32)34)13-24(30)32/h6-9,19-21,23-28,36,38H,5,10-16H2,1-4H3,(H,33,35)/t19-,20-,21+,23+,24-,25+,26-,27+,28-,30+,31+,32-/m1/s1",CCN1C[C@]2(COC(=O)c3ccccc3NC(C)=O)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C32H44N2O7,pos_2MH,568.314851748,BTJGSIVUSIUKPV,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum talassicum,5737809.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum talassicum'],6,0,6.0 4931,303,-1,,,,0.0,MS1_match,BTJGSIVUSIUKPV-DNZCMCMLSA-N,"InChI=1S/C32H44N2O7/c1-5-34-15-30(16-41-29(37)18-8-6-7-9-22(18)33-17(2)35)11-10-25(40-4)32-20-12-19-23(39-3)14-31(38,26(20)27(19)36)21(28(32)34)13-24(30)32/h6-9,19-21,23-28,36,38H,5,10-16H2,1-4H3,(H,33,35)/t19-,20-,21+,23+,24-,25+,26-,27+,28-,30+,31+,32-/m1/s1",CCN1C[C@]2(COC(=O)c3ccccc3NC(C)=O)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C32H44N2O7,pos_2MH,568.314851748,BTJGSIVUSIUKPV,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum orientale,586781.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum orientale'],6,0,6.0 4932,303,-1,,,,0.0,MS1_match,OFZVZACQMZCEAD-UHFFFAOYSA-N,"InChI=1S/C32H44N2O7/c1-6-34-15-30(16-41-28(36)17-9-7-8-10-20(17)33)12-11-22(38-3)32-19-13-18-21(37-2)14-31(29(32)34,23(19)24(18)39-4)27(35)25(40-5)26(30)32/h7-10,18-19,21-26,29H,6,11-16,33H2,1-5H3",CCN1CC2(COC(=O)c3ccccc3N)CCC(OC)C34C5CC6C(OC)CC(C(=O)C(OC)C23)(C5C6OC)C14,C32H44N2O7,pos_2MH,568.314851748,OFZVZACQMZCEAD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum lycoctonum,14055.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum lycoctonum'],6,0,6.0 4933,303,-1,,,,0.0,MS1_match,OFZVZACQMZCEAD-UHFFFAOYSA-N,"InChI=1S/C32H44N2O7/c1-6-34-15-30(16-41-28(36)17-9-7-8-10-20(17)33)12-11-22(38-3)32-19-13-18-21(37-2)14-31(29(32)34,23(19)24(18)39-4)27(35)25(40-5)26(30)32/h7-10,18-19,21-26,29H,6,11-16,33H2,1-5H3",CCN1CC2(COC(=O)c3ccccc3N)CCC(OC)C34C5CC6C(OC)CC(C(=O)C(OC)C23)(C5C6OC)C14,C32H44N2O7,pos_2MH,568.314851748,OFZVZACQMZCEAD,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum septentrionale,586782.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum septentrionale'],6,0,6.0 4923,302,306,Shikimates and Phenylpropanoids,Flavonoids,Secoiridoid monoterpenoids,0.36337978,ISDB,NWYPSJATNKDRKG-UHFFFAOYSA-N,"InChI=1S/C12H16O6/c1-16-9-4-7(5-10(17-2)12(9)15)8(13)6-11(14)18-3/h4-5,8,13,15H,6H2,1-3H3",COC(=O)CC(O)c1cc(OC)c(O)c(OC)c1,C12H16O6,,256.094688232,NWYPSJATNKDRKG,,,,Ruta graveolens,596623.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Ruta'],['Ruta graveolens'],4,0,5.453519105911255 4908,301,-1,,,,0.0,MS1_match,TYWXNGXVSZRXNA-NVZSGMJQSA-N,"InChI=1S/C11H16O8/c12-3-6-8(14)9(15)10(16)11(19-6)17-4-5-1-2-7(13)18-5/h1-2,5-6,8-12,14-16H,3-4H2/t5-,6+,8+,9-,10+,11+/m0/s1",O=C1C=C[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O1,C11H16O8,pos_1_1potassium,276.084517472,TYWXNGXVSZRXNA,,,,Clematis ligusticifolia,964063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis ligusticifolia'],8,0,8.0 4873,299,173,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.32819733,ISDB,XWOHZIIPBYAMJX-KHBMLBSESA-N,"InChI=1S/C11H16O5/c1-5-8(12)3-6-7(10(13)15-2)4-16-11(14)9(5)6/h4-6,8-9,11-12,14H,3H2,1-2H3/t5-,6+,8-,9+,11+/m0/s1",COC(=O)C1=CO[C@@H](O)[C@@H]2[C@@H](C)[C@@H](O)C[C@H]12,C11H16O5,,228.099773612,XWOHZIIPBYAMJX,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Dipsacus laciniatus,489131.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Dipsacus'],['Dipsacus laciniatus'],6,3,8.81278932094574 4369,293,-1,,,,0.26322213,ISDB,BJIOGJUNALELMI-ONEGZZNKSA-N,"InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3-7,11H,1-2H3/b4-3+",C/C=C/c1ccc(O)c(OC)c1,C10H12O2,,164.083729624,BJIOGJUNALELMI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Actaea simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],6,0,7.052888512611389 4370,293,-1,,,,0.26322213,ISDB,BJIOGJUNALELMI-ONEGZZNKSA-N,"InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3-7,11H,1-2H3/b4-3+",C/C=C/c1ccc(O)c(OC)c1,C10H12O2,,164.083729624,BJIOGJUNALELMI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cimicifuga simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],6,0,7.052888512611389 4354,289,-1,,,,0.2517944,ISDB,GJPPHJZNFDHUDL-BBBLOLIVSA-N,"InChI=1S/C10H19NO2/c12-7-8-9-3-1-2-5-11(9)6-4-10(8)13/h8-10,12-13H,1-7H2/t8-,9-,10+/m1/s1",OC[C@@H]1[C@H]2CCCCN2CC[C@@H]1O,C10H19NO2,,185.141578848,GJPPHJZNFDHUDL,Alkaloids,Lysine alkaloids,Indolizidine alkaloids,Poecilanthe itapuana,273749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Brongniartieae'],['Poecilanthe'],['Poecilanthe itapuana'],4,0,5.0071775913238525 4355,289,-1,,,,0.2517944,ISDB,GJPPHJZNFDHUDL-BBBLOLIVSA-N,"InChI=1S/C10H19NO2/c12-7-8-9-3-1-2-5-11(9)6-4-10(8)13/h8-10,12-13H,1-7H2/t8-,9-,10+/m1/s1",OC[C@@H]1[C@H]2CCCCN2CC[C@@H]1O,C10H19NO2,,185.141578848,GJPPHJZNFDHUDL,Alkaloids,Lysine alkaloids,Indolizidine alkaloids,Limadendron hostmannii,3928227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Brongniartieae'],['Poecilanthe'],['Poecilanthe hostmannii'],4,0,5.0071775913238525 4356,289,-1,,,,0.2517944,ISDB,GJPPHJZNFDHUDL-BBBLOLIVSA-N,"InChI=1S/C10H19NO2/c12-7-8-9-3-1-2-5-11(9)6-4-10(8)13/h8-10,12-13H,1-7H2/t8-,9-,10+/m1/s1",OC[C@@H]1[C@H]2CCCCN2CC[C@@H]1O,C10H19NO2,,185.141578848,GJPPHJZNFDHUDL,Alkaloids,Lysine alkaloids,Indolizidine alkaloids,Poecilanthe falcata,931940.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Brongniartieae'],['Poecilanthe'],['Poecilanthe falcata'],4,0,5.0071775913238525 4319,286,-1,,,,0.0,MS1_match,XLZVKKAUANEKGL-UQXKVLDMSA-N,"InChI=1S/C15H24O2/c1-9-5-6-15(17)13(2,3)11-7-10(9)14(15,4)8-12(11)16/h9-11,17H,5-8H2,1-4H3/t9-,10-,11-,14-,15+/m0/s1",C[C@H]1CC[C@@]2(O)C(C)(C)[C@H]3C[C@@H]1[C@]2(C)CC3=O,C15H24O2,pos_1_1proton1methanol,236.177630008,XLZVKKAUANEKGL,Terpenoids,Sesquiterpenoids,Patchoulane sesquiterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,0,6.0 4320,286,-1,,,,0.0,MS1_match,DHOMMAYDBREASS-MRLBHPIUSA-N,"InChI=1S/C15H24O2/c1-9(2)15-8-5-10(3)11-6-7-14(4,16)12(11)13(15)17-15/h9,11-13,16H,3,5-8H2,1-2,4H3/t11-,12-,13+,14+,15+/m1/s1",C=C1CC[C@@]2(C(C)C)O[C@H]2[C@H]2[C@@H]1CC[C@]2(C)O,C15H24O2,pos_1_1proton1methanol,236.177630008,DHOMMAYDBREASS,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 4321,286,-1,,,,0.0,MS1_match,ZJIVEFDADFTLMI-ULWTYWRYSA-N,"InChI=1S/C15H24O2/c1-8-5-9(16)6-10-12(17)7-11-13(14(11,2)3)15(8,10)4/h6,8-9,11-13,16-17H,5,7H2,1-4H3/t8-,9-,11-,12+,13+,15+/m1/s1",C[C@@H]1C[C@@H](O)C=C2[C@@H](O)C[C@@H]3[C@@H](C3(C)C)[C@]21C,C15H24O2,pos_1_1proton1methanol,236.177630008,ZJIVEFDADFTLMI,Terpenoids,Sesquiterpenoids,Aristolane sesquiterpenoids,Nardostachys jatamansi,24101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Nardostachys'],['Nardostachys jatamansi'],6,0,6.0 4322,286,-1,,,,0.0,MS1_match,BEGPRDHBWMCZLC-XYLSPBENSA-N,"InChI=1S/C15H24O2/c1-13(2)9-5-7-14(3)10(16)6-8-15(4,17)12(14)11(9)13/h9,11-12,17H,5-8H2,1-4H3/t9?,11?,12?,14-,15+/m1/s1",CC1(C)C2CC[C@]3(C)C(=O)CC[C@](C)(O)C3C21,C15H24O2,pos_1_1proton1methanol,236.177630008,BEGPRDHBWMCZLC,Terpenoids,Sesquiterpenoids,Aromadendrane sesquiterpenoids,Valeriana fauriei,228778.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana fauriei'],6,0,6.0 4323,286,-1,,,,0.0,MS1_match,BEGPRDHBWMCZLC-XYLSPBENSA-N,"InChI=1S/C15H24O2/c1-13(2)9-5-7-14(3)10(16)6-8-15(4,17)12(14)11(9)13/h9,11-12,17H,5-8H2,1-4H3/t9?,11?,12?,14-,15+/m1/s1",CC1(C)C2CC[C@]3(C)C(=O)CC[C@](C)(O)C3C21,C15H24O2,pos_1_1proton1methanol,236.177630008,BEGPRDHBWMCZLC,Terpenoids,Sesquiterpenoids,Aromadendrane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 4324,286,-1,,,,0.0,MS1_match,TVGPYTOYKLZBPA-UHFFFAOYSA-N,"InChI=1S/C15H24O2/c1-10(2)7-14(16)17-9-11-5-6-12-8-13(11)15(12,3)4/h5,10,12-13H,6-9H2,1-4H3",CC(C)CC(=O)OCC1=CCC2CC1C2(C)C,C15H24O2,pos_1_1proton1methanol,236.177630008,TVGPYTOYKLZBPA,Terpenoids,Monoterpenoids,Pinane monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 4313,284,219,Fatty acids,Fatty acyls,Fatty aldehydes,0.0,MS1_match,UFLHIIWVXFIJGU-ARJAWSKDSA-N,"InChI=1S/C6H12O/c1-2-3-4-5-6-7/h3-4,7H,2,5-6H2,1H3/b4-3-",CC/C=C\CCO,C6H12O,pos_2MHNH3,100.088815004,UFLHIIWVXFIJGU,Fatty acids,Fatty acyls,Fatty alcohols,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,2,8.0 4275,282,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.5972155,ISDB,JCJMEMDHUZYVMB-OAAMNHTFSA-N,"InChI=1S/C19H34O3/c1-3-4-5-6-8-11-14-17-18(22-17)15-12-9-7-10-13-16-19(20)21-2/h8,11,17-18H,3-7,9-10,12-16H2,1-2H3/b11-8-/t17-,18+/m1/s1",CCCCC/C=C\C[C@H]1O[C@H]1CCCCCCCC(=O)OC,C19H34O3,,310.250794948,JCJMEMDHUZYVMB,Fatty acids,Fatty Acids and Conjugates,Epoxy fatty acids,Aster alpinus,264974.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Aster'],['Aster alpinus'],4,2,7.388861894607544 4272,278,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.4769832,ISDB,WCOJTKTTYBPGPG-UHFFFAOYSA-N,"InChI=1S/C22H33BrO2/c1-17(8-4-9-18(2)11-7-15-23)10-5-12-19(3)21-16-20(21)13-6-14-22(24)25/h5,10,12,18-21H,4,6,8-9,11,13-14,16H2,1-3H3,(H,24,25)",CC(=CC=CC(C)C1CC1CCCC(=O)O)CCCC(C)CC#CBr,C22H33BrO2,,408.166392396,WCOJTKTTYBPGPG,Fatty acids,Fatty Acids and Conjugates,,Cladonia furcata,624792.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Lecanoromycetes'],['Lecanorales'],['Cladoniaceae'],['Unknown'],['Cladonia'],['Cladonia furcata'],1,0,2.907932758331299 4273,278,40,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.4769832,ISDB,WCOJTKTTYBPGPG-MUTMBXSBSA-N,"InChI=1S/C22H33BrO2/c1-17(8-4-9-18(2)11-7-15-23)10-5-12-19(3)21-16-20(21)13-6-14-22(24)25/h5,10,12,18-21H,4,6,8-9,11,13-14,16H2,1-3H3,(H,24,25)/b12-5+,17-10+/t18-,19+,20-,21+/m1/s1",C/C(=C\C=C\[C@H](C)[C@@H]1C[C@H]1CCCC(=O)O)CCC[C@@H](C)CC#CBr,C22H33BrO2,,408.166392396,WCOJTKTTYBPGPG,Fatty acids,Fatty Acids and Conjugates,,Cladonia furcata subsp. furcata,4064283.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Lecanoromycetes'],['Lecanorales'],['Cladoniaceae'],['Unknown'],['Cladonia'],['Unknown'],1,0,2.907932758331299 4270,277,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ZFMSMUAANRJZFM-UHFFFAOYSA-N,"InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3,5-8H,1,4H2,2H3",C=CCc1ccc(OC)cc1,C10H12O,pos_1_1proton1methanol,148.088815004,ZFMSMUAANRJZFM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Nigella sativa,142360.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Nigelleae'],['Nigella'],['Nigella sativa'],6,3,7.5 4271,277,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RUVINXPYWBROJD-ONEGZZNKSA-N,"InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3/b4-3+",C/C=C/c1ccc(OC)cc1,C10H12O,pos_1_1proton1methanol,148.088815004,RUVINXPYWBROJD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Nigella sativa,142360.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Nigelleae'],['Nigella'],['Nigella sativa'],6,3,7.5 4262,274,642,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WQSDYZZEIBAPIN-VBQORRLJSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+/t10-,12-,13+,14-,15+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O9,pos_1_1proton1ammonium,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis tashiroi,21287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tashiroi'],8,3,9.5 4263,274,642,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WQSDYZZEIBAPIN-VBQORRLJSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+/t10-,12-,13+,14-,15+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O9,pos_1_1proton1ammonium,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis tashiroi,21287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tashiroi'],8,3,9.5 4264,274,642,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WQSDYZZEIBAPIN-VBQORRLJSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+/t10-,12-,13+,14-,15+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O9,pos_1_1proton1ammonium,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis tashiroi,21287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tashiroi'],8,3,9.5 4265,274,642,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,OHEYCHKLBCPRLZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(24-10)23-9-3-1-7(5-8(9)17)2-4-11(18)19/h1-5,10,12-17,20-22H,6H2,(H,18,19)/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1,C15H18O9,pos_1_1proton1ammonium,342.09508215599993,OHEYCHKLBCPRLZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis tashiroi,21287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tashiroi'],8,3,9.5 4266,274,642,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,OHEYCHKLBCPRLZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(24-10)23-9-3-1-7(5-8(9)17)2-4-11(18)19/h1-5,10,12-17,20-22H,6H2,(H,18,19)/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1,C15H18O9,pos_1_1proton1ammonium,342.09508215599993,OHEYCHKLBCPRLZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis tashiroi,21287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tashiroi'],8,3,9.5 4267,274,642,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,OHEYCHKLBCPRLZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(24-10)23-9-3-1-7(5-8(9)17)2-4-11(18)19/h1-5,10,12-17,20-22H,6H2,(H,18,19)/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1,C15H18O9,pos_1_1proton1ammonium,342.09508215599993,OHEYCHKLBCPRLZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis tashiroi,21287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tashiroi'],8,3,9.5 4268,274,642,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JVVFTHAOTNXPOZ-SSLCBRODSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1proton1ammonium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis tashiroi,21287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tashiroi'],8,3,9.5 4269,274,642,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JVVFTHAOTNXPOZ-SSLCBRODSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1proton1ammonium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis tashiroi,21287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tashiroi'],8,3,9.5 4241,273,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,YTZSBJLNMIQROD-RZYLQQLPSA-N,"InChI=1S/C17H26O11/c1-6-11-7(3-10(19)26-6)8(15(23)24-2)5-25-16(11)28-17-14(22)13(21)12(20)9(4-18)27-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6?,7-,9?,10?,11-,12?,13?,14?,16?,17?/m1/s1",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)[C@@H]2C(C)OC(O)C[C@H]12,C17H26O11,pos_1_sodium,406.147511652,YTZSBJLNMIQROD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera alpigena,920868.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera alpigena'],8,2,9.0 4242,273,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,YTZSBJLNMIQROD-RZYLQQLPSA-N,"InChI=1S/C17H26O11/c1-6-11-7(3-10(19)26-6)8(15(23)24-2)5-25-16(11)28-17-14(22)13(21)12(20)9(4-18)27-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6?,7-,9?,10?,11-,12?,13?,14?,16?,17?/m1/s1",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)[C@@H]2C(C)OC(O)C[C@H]12,C17H26O11,pos_1_sodium,406.147511652,YTZSBJLNMIQROD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera alpigena,920868.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera alpigena'],8,2,9.0 4243,273,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,YTZSBJLNMIQROD-RZYLQQLPSA-N,"InChI=1S/C17H26O11/c1-6-11-7(3-10(19)26-6)8(15(23)24-2)5-25-16(11)28-17-14(22)13(21)12(20)9(4-18)27-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6?,7-,9?,10?,11-,12?,13?,14?,16?,17?/m1/s1",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)[C@@H]2C(C)OC(O)C[C@H]12,C17H26O11,pos_1_sodium,406.147511652,YTZSBJLNMIQROD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera alpigena,920868.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera alpigena'],8,2,9.0 4238,271,942,Polyketides,Cyclic polyketides,Chromones,0.3400775,ISDB,JWUYCQNPNLREFR-XBURVNOZSA-N,"InChI=1S/C13H18O6/c1-5-7(2)12(16)19-10-8(14)6-9(18-4)13(3,17)11(10)15/h6-7,10,17H,5H2,1-4H3/t7-,10-,13-/m1/s1",CC[C@@H](C)C(=O)O[C@@H]1C(=O)C=C(OC)[C@@](C)(O)C1=O,C13H18O6,,270.110338296,JWUYCQNPNLREFR,Polyketides,Cyclic polyketides,Simple cyclic polyketides,Aspergillus flavus,188996.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Aspergillus'],['Aspergillus flavus'],1,2,3.3603099584579468 4235,270,200,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.0,MS1_match,DBANWUMRYUJBKJ-SRUNSHPASA-N,"InChI=1S/C36H58O7/c1-20-26(37)27(38)28(39)29(42-20)43-25-12-13-33(6)23(32(25,4)5)11-14-35(8)24(33)10-9-21-22-19-31(2,3)15-17-36(22,30(40)41)18-16-34(21,35)7/h9,20,22-29,37-39H,10-19H2,1-8H3,(H,40,41)/t20-,22-,23-,24+,25-,26-,27+,28+,29-,33-,34+,35+,36-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2CC[C@]3(C)[C@H]4CC=C5[C@@H]6CC(C)(C)CC[C@]6(C(=O)O)CC[C@@]5(C)[C@]4(C)CC[C@H]3C2(C)C)[C@H](O)[C@H](O)[C@H]1O,C36H58O7,pos_1_1sodium1acetonitrile,602.418254196,DBANWUMRYUJBKJ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Anemone narcissiflora,896053.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Anemone'],['Anemone narcissiflora'],7,0,7.0 4236,270,200,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.0,MS1_match,DBANWUMRYUJBKJ-SRUNSHPASA-N,"InChI=1S/C36H58O7/c1-20-26(37)27(38)28(39)29(42-20)43-25-12-13-33(6)23(32(25,4)5)11-14-35(8)24(33)10-9-21-22-19-31(2,3)15-17-36(22,30(40)41)18-16-34(21,35)7/h9,20,22-29,37-39H,10-19H2,1-8H3,(H,40,41)/t20-,22-,23-,24+,25-,26-,27+,28+,29-,33-,34+,35+,36-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2CC[C@]3(C)[C@H]4CC=C5[C@@H]6CC(C)(C)CC[C@]6(C(=O)O)CC[C@@]5(C)[C@]4(C)CC[C@H]3C2(C)C)[C@H](O)[C@H](O)[C@H]1O,C36H58O7,pos_1_1sodium1acetonitrile,602.418254196,DBANWUMRYUJBKJ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Anemone multifida,896056.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Anemone'],['Anemone multifida'],7,0,7.0 4237,270,200,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.0,MS1_match,DBANWUMRYUJBKJ-SRUNSHPASA-N,"InChI=1S/C36H58O7/c1-20-26(37)27(38)28(39)29(42-20)43-25-12-13-33(6)23(32(25,4)5)11-14-35(8)24(33)10-9-21-22-19-31(2,3)15-17-36(22,30(40)41)18-16-34(21,35)7/h9,20,22-29,37-39H,10-19H2,1-8H3,(H,40,41)/t20-,22-,23-,24+,25-,26-,27+,28+,29-,33-,34+,35+,36-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2CC[C@]3(C)[C@H]4CC=C5[C@@H]6CC(C)(C)CC[C@]6(C(=O)O)CC[C@@]5(C)[C@]4(C)CC[C@H]3C2(C)C)[C@H](O)[C@H](O)[C@H]1O,C36H58O7,pos_1_1sodium1acetonitrile,602.418254196,DBANWUMRYUJBKJ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Anemonastrum narcissiflorum,896053.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Anemone'],['Anemone narcissiflora'],7,0,7.0 4230,269,-1,,,,0.0,MS1_match,SINCDAOITNCHRQ-CEHVUTQISA-N,"InChI=1S/C36H60O10/c1-30(2)21-7-8-22-32(5)15-19(39)28(33(6)11-9-24(46-33)31(3,4)43)36(32,18-38)14-13-35(22)17-34(21,35)12-10-23(30)45-29-27(42)26(41)25(40)20(16-37)44-29/h19-29,37-43H,7-18H2,1-6H3/t19-,20+,21-,22-,23-,24+,25+,26-,27+,28+,29-,32-,33-,34+,35-,36-/m0/s1",CC(C)(O)[C@H]1CC[C@@](C)([C@H]2[C@@H](O)C[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@@]56C[C@@]46CC[C@]23CO)O1,C36H60O10,pos_2MHCH3CN,652.41864812,SINCDAOITNCHRQ,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Beesia calthifolia,877310.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Beesia'],['Beesia calthifolia'],6,0,6.0 4231,269,-1,,,,0.0,MS1_match,PMHQEEVEMWGOAI-HVTOOLEBSA-N,"InChI=1S/C37H60O10/c1-18-15-19-28(32(4,5)43-8)47-37(46-19)27(18)33(6)13-14-36-17-35(36)12-11-23(45-29-26(41)25(40)24(39)20(16-38)44-29)31(2,3)21(35)9-10-22(36)34(33,7)30(37)42/h18-30,38-42H,9-17H2,1-8H3/t18-,19-,20-,21+,22+,23+,24+,25+,26-,27-,28+,29+,30-,33-,34-,35-,36+,37+/m1/s1",COC(C)(C)[C@H]1O[C@@]23O[C@@H]1C[C@@H](C)[C@@H]2[C@@]1(C)CC[C@@]24C[C@@]25CC[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@@H]5CC[C@H]4[C@]1(C)[C@H]3O,C37H60O10,pos_2MHNH3,664.41864812,PMHQEEVEMWGOAI,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Actaea simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],6,0,6.0 4232,269,-1,,,,0.0,MS1_match,PMHQEEVEMWGOAI-HVTOOLEBSA-N,"InChI=1S/C37H60O10/c1-18-15-19-28(32(4,5)43-8)47-37(46-19)27(18)33(6)13-14-36-17-35(36)12-11-23(45-29-26(41)25(40)24(39)20(16-38)44-29)31(2,3)21(35)9-10-22(36)34(33,7)30(37)42/h18-30,38-42H,9-17H2,1-8H3/t18-,19-,20-,21+,22+,23+,24+,25+,26-,27-,28+,29+,30-,33-,34-,35-,36+,37+/m1/s1",COC(C)(C)[C@H]1O[C@@]23O[C@@H]1C[C@@H](C)[C@@H]2[C@@]1(C)CC[C@@]24C[C@@]25CC[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@@H]5CC[C@H]4[C@]1(C)[C@H]3O,C37H60O10,pos_2MHNH3,664.41864812,PMHQEEVEMWGOAI,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Cimicifuga simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],6,0,6.0 4233,269,-1,,,,0.0,MS1_match,WLWKLTIIRAWGET-BIBQQZBKSA-N,"InChI=1S/C37H60O10/c1-19(38)45-29-27(42)28(34(7)13-11-24(47-34)32(4,5)43)33(6)15-16-37-18-36(37)14-12-23(46-30-26(41)25(40)20(39)17-44-30)31(2,3)21(36)9-10-22(37)35(29,33)8/h20-30,39-43H,9-18H2,1-8H3/t20-,21+,22+,23+,24-,25+,26-,27-,28+,29+,30+,33-,34-,35-,36-,37+/m1/s1",CC(=O)O[C@H]1[C@H](O)[C@H]([C@@]2(C)CC[C@H](C(C)(C)O)O2)[C@@]2(C)CC[C@@]34C[C@@]35CC[C@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)C(C)(C)[C@@H]5CC[C@H]4[C@]12C,C37H60O10,pos_2MHNH3,664.41864812,WLWKLTIIRAWGET,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Beesia calthifolia,877310.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Beesia'],['Beesia calthifolia'],6,0,6.0 4234,269,-1,,,,0.0,MS1_match,BOECQQUDFVMJFS-BSRPRUHBSA-N,"InChI=1S/C37H60O10/c1-19(2)15-21-27(40)26(31(44-6)45-21)20-9-11-35(5)24-8-7-23-33(3,18-39)25(47-32-30(43)29(42)28(41)22(16-38)46-32)10-12-36(23)17-37(24,36)14-13-34(20,35)4/h15,20-32,38-43H,7-14,16-18H2,1-6H3/t20-,21-,22-,23+,24-,25+,26+,27-,28-,29+,30-,31-,32+,33-,34-,35+,36-,37+/m1/s1",CO[C@@H]1O[C@H](C=C(C)C)[C@@H](O)[C@@H]1[C@H]1CC[C@@]2(C)[C@H]3CC[C@H]4[C@@](C)(CO)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@@]45C[C@@]35CC[C@]12C,C37H60O10,pos_2MHNH3,664.41864812,BOECQQUDFVMJFS,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Thalictrum squarrosum,451574.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum squarrosum'],6,0,6.0 4148,265,-1,,,,0.42658973,ISDB,UPACPHKOSSOYIY-NEIIXNPVSA-N,"InChI=1S/C32H50O3/c1-21(34)35-26-12-13-29(6)24(28(26,4)5)11-14-31(8)25(29)10-9-22-23-19-27(2,3)15-17-32(23,20-33)18-16-30(22,31)7/h9,20,23-26H,10-19H2,1-8H3/t23-,24-,25+,26-,29-,30+,31+,32+/m0/s1",CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC=C4[C@@H]5CC(C)(C)CC[C@]5(C=O)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C,C32H50O3,,482.37599546,UPACPHKOSSOYIY,Terpenoids,Triterpenoids,Oleanane triterpenoids,Euptelea polyandra,971328.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Eupteleaceae'],['Unknown'],['Euptelea'],['Euptelea polyandra'],5,0,6.706358909606934 4147,264,694,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Scabiosa comosa,984352.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Scabiosa'],['Scabiosa comosa'],6,3,7.5 4140,260,11,Alkaloids,Monoterpenoids,Iridoids monoterpenoids,0.34728327,ISDB,IEDHINQMIRRVDA-DBXUSRIBSA-N,"InChI=1S/C26H35NO11/c1-3-15-16(9-10-27-18(23(32)33)11-14-7-5-4-6-8-14)17(24(34)35-2)13-36-25(15)38-26-22(31)21(30)20(29)19(12-28)37-26/h3-8,13,15-16,18-22,25-31H,1,9-12H2,2H3,(H,32,33)/t15-,16+,18+,19-,20-,21+,22-,25+,26+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CCN[C@@H](Cc1ccccc1)C(=O)O,C26H35NO11,,537.2210109399998,IEDHINQMIRRVDA,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,2,9.389133095741272 3704,257,-1,,,,0.67057306,ISDB,XLHIYUYCSMZCCC-VMPITWQZSA-N,"InChI=1S/C15H14O4/c1-17-12-6-3-11(4-7-12)5-8-13-9-14(18-2)10-15(16)19-13/h3-10H,1-2H3/b8-5+",COc1ccc(/C=C/c2cc(OC)cc(=O)o2)cc1,C15H14O4,,258.089208928,XLHIYUYCSMZCCC,Shikimates and Phenylpropanoids,Styrylpyrones,Kavalactones and derivatives,Ranunculus silerifolius,22674.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus silerifolius'],6,0,8.682292222976685 3702,255,-1,,,,0.0,MS1_match,VQSGSHVNMAGNDE-UHFFFAOYSA-N,"InChI=1S/C12H12O3/c1-2-14-6-10-7-15-8-12-9(5-13)3-4-11(10)12/h3-5,7-8H,2,6H2,1H3",CCOCc1cocc2c(C=O)ccc1-2,C12H12O3,pos_1_1proton1isopropanol,204.078644244,VQSGSHVNMAGNDE,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia rupestris,1035977.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia rupestris'],6,0,6.0 3703,255,-1,,,,0.0,MS1_match,VQSGSHVNMAGNDE-UHFFFAOYSA-N,"InChI=1S/C12H12O3/c1-2-14-6-10-7-15-8-12-9(5-13)3-4-11(10)12/h3-5,7-8H,2,6H2,1H3",CCOCc1cocc2c(C=O)ccc1-2,C12H12O3,pos_1_1proton1isopropanol,204.078644244,VQSGSHVNMAGNDE,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Centranthus ruber,759056.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Centranthus'],['Centranthus ruber'],6,0,6.0 3581,254,905,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.84682614,ISDB,KVDYLKCXTJYREA-UHFFFAOYSA-N,"InChI=1S/C16H22O3/c1-9(2)16-6-5-11(8-19-16)13-12(16)7-10(3)15(18-4)14(13)17/h7,9,11,17H,5-6,8H2,1-4H3",COc1c(C)cc2c(c1O)C1CCC2(C(C)C)OC1,C16H22O3,,262.156894564,KVDYLKCXTJYREA,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Malva sylvestris,121966.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Malva'],['Malva sylvestris'],4,3,8.887304544448853 3569,248,-1,,,,0.37009606,ISDB,,,,,,,BZWZVFMHAZFRMA,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.4803842306137085 3084,246,-1,,,,0.3088534,ISDB,GUZAIURHRDPBKE-HIEJAJBWSA-N,"InChI=1S/C30H46O3/c1-17(2)18-9-12-22-29(18,7)25(33)16-28(6)19-10-11-21-26(3,4)23(31)13-14-27(21,5)20(19)15-24(32)30(22,28)8/h10,15,17-18,21-23,25,31,33H,9,11-14,16H2,1-8H3/t18-,21+,22-,23-,25-,27-,28-,29-,30-/m1/s1",CC(C)[C@H]1CC[C@@H]2[C@]1(C)[C@H](O)C[C@]1(C)C3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)C3=CC(=O)[C@@]21C,C30H46O3,,454.344695332,GUZAIURHRDPBKE,Terpenoids,Triterpenoids,Fernane and Arborinane triterpenoids,Lonicera gracilipes,920854.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera gracilipes'],7,0,8.235413551330566 3079,244,153,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.23539075,ISDB,MQFAJBBHEYTHKF-BIIVOSGPSA-N,"InChI=1S/C11H14O6/c1-6-8(4-12)7(3-10(13)14)9(5-17-6)11(15)16-2/h4-8H,3H2,1-2H3,(H,13,14)/t6-,7-,8+/m0/s1",COC(=O)C1=CO[C@@H](C)[C@@H](C=O)[C@@H]1CC(=O)O,C11H14O6,,242.079038168,MQFAJBBHEYTHKF,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Olea europaea,23729.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Oleaceae'],['Oleeae'],['Olea'],['Olea europaea'],4,3,6.441563010215759 3051,241,86,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_1_1proton1methanol,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera microphylla,980075.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera microphylla'],7,0,7.0 3052,241,86,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,BGWXCNUGXLABMC-UHFFFAOYSA-N,"InChI=1S/C10H12O4/c1-4-5-3-6(11)10(2)7(5)8(12)13-9(4)14-10/h5-7,9,11H,1,3H2,2H3",C=C1C2OC(=O)C3C1CC(O)C3(C)O2,C10H12O4,pos_1_1proton,196.073558864,BGWXCNUGXLABMC,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,2,7.0 3049,238,217,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.77254176,ISDB,DPTUTXWBBUARQB-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-2-6-4-5-8(11)12-9(6)7/h1-5,10H",O=c1ccc2cccc(O)c2o1,C9H6O3,,162.031694052,DPTUTXWBBUARQB,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Murraya paniculata,81668.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Murraya'],['Murraya paniculata'],4,3,8.590167045593262 3050,238,217,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.77254176,ISDB,DPTUTXWBBUARQB-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-2-6-4-5-8(11)12-9(6)7/h1-5,10H",O=c1ccc2cccc(O)c2o1,C9H6O3,,162.031694052,DPTUTXWBBUARQB,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Murraya exotica,755734.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Murraya'],['Murraya exotica'],4,3,8.590167045593262 3042,237,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.7430135,ISDB,LBHQTVBKPMHICN-MDZDMXLPSA-N,"InChI=1S/C20H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h9-10H,2-8,11-19H2,1H3,(H2,21,22)/b10-9+",CCCCCCCC/C=C/CCCCCCCCCC(N)=O,C20H39NO,,309.303164868,LBHQTVBKPMHICN,Fatty acids,Fatty amides,Primary amides,Streptomyces,772892.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Unknown'],0,1,3.4720540046691895 3040,235,-1,,,,0.0,MS1_match,QUZHZFAQJATMCA-QAZQWDDOSA-N,"InChI=1S/C45H74O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,38-39,42-46,49-51H,3-4,9-10,15-16,21-37H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t38-,39-,42+,43+,44-,45-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C45H74O10,pos_1_1potassium,774.5281985680001,QUZHZFAQJATMCA,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Ranunculus fluitans,961752.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus fluitans'],6,0,6.0 3041,235,-1,,,,0.0,MS1_match,QUZHZFAQJATMCA-QAZQWDDOSA-N,"InChI=1S/C45H74O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,38-39,42-46,49-51H,3-4,9-10,15-16,21-37H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t38-,39-,42+,43+,44-,45-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C45H74O10,pos_1_1potassium,774.5281985680001,QUZHZFAQJATMCA,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Ranunculus fluitans,961752.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus fluitans'],6,0,6.0 3038,232,-1,,,,0.23101975,ISDB,,,,,,,DHVCDRCUTFUDDR,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.9240790009498596 3020,230,153,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,MQLSOVRLZHTATK-PEYNGXJCSA-N,"InChI=1S/C17H24O11/c1-3-7-8(4-11(19)20)9(15(24)25-2)6-26-16(7)28-17-14(23)13(22)12(21)10(5-18)27-17/h3,6-8,10,12-14,16-18,21-23H,1,4-5H2,2H3,(H,19,20)/t7-,8+,10-,12-,13+,14-,16+,17+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC(=O)O,C17H24O11,pos_1_1proton1ammonium,404.1318615879998,MQLSOVRLZHTATK,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera periclymenum,811893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera periclymenum'],8,3,9.5 3021,230,153,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,MQLSOVRLZHTATK-PEYNGXJCSA-N,"InChI=1S/C17H24O11/c1-3-7-8(4-11(19)20)9(15(24)25-2)6-26-16(7)28-17-14(23)13(22)12(21)10(5-18)27-17/h3,6-8,10,12-14,16-18,21-23H,1,4-5H2,2H3,(H,19,20)/t7-,8+,10-,12-,13+,14-,16+,17+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC(=O)O,C17H24O11,pos_1_1proton1ammonium,404.1318615879998,MQLSOVRLZHTATK,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera periclymenum,811893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera periclymenum'],8,3,9.5 3022,230,153,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,MQLSOVRLZHTATK-PEYNGXJCSA-N,"InChI=1S/C17H24O11/c1-3-7-8(4-11(19)20)9(15(24)25-2)6-26-16(7)28-17-14(23)13(22)12(21)10(5-18)27-17/h3,6-8,10,12-14,16-18,21-23H,1,4-5H2,2H3,(H,19,20)/t7-,8+,10-,12-,13+,14-,16+,17+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC(=O)O,C17H24O11,pos_1_1proton1ammonium,404.1318615879998,MQLSOVRLZHTATK,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera periclymenum,811893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera periclymenum'],8,3,9.5 2919,229,905,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.5333624,ISDB,PYTRVKJKYCINDC-KBPBESRZSA-N,"InChI=1S/C14H20O3/c1-8(2)9-4-5-11(15)10-6-7-14(3,17)13(16)12(9)10/h4-5,8,13,15-17H,6-7H2,1-3H3/t13-,14-/m0/s1",CC(C)c1ccc(O)c2c1[C@H](O)[C@@](C)(O)CC2,C14H20O3,,236.1412445,PYTRVKJKYCINDC,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Alpinia oxyphylla,144287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Alpinia'],['Alpinia oxyphylla'],4,3,7.633449554443359 2909,228,332,Terpenoids,Fatty acyls,Fatty aldehydes,0.5613203,ISDB,RDQSIADLBQFVMY-UHFFFAOYSA-N,"InChI=1S/C14H20O2/c1-13(2,3)10-7-9(15)8-11(12(10)16)14(4,5)6/h7-8H,1-6H3",CC(C)(C)C1=CC(=O)C=C(C(C)(C)C)C1=O,C14H20O2,,220.14632988,RDQSIADLBQFVMY,Terpenoids,,,Leptolyngbya tenuis,447081.0,['Bacteria'],['Unknown'],['Cyanobacteria'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Leptolyngbya'],['Leptolyngbya tenuis'],0,1,2.745281219482422 2910,228,332,Terpenoids,Fatty acyls,Fatty aldehydes,0.5613203,ISDB,RDQSIADLBQFVMY-UHFFFAOYSA-N,"InChI=1S/C14H20O2/c1-13(2,3)10-7-9(15)8-11(12(10)16)14(4,5)6/h7-8H,1-6H3",CC(C)(C)C1=CC(=O)C=C(C(C)(C)C)C1=O,C14H20O2,,220.14632988,RDQSIADLBQFVMY,Terpenoids,,,Phormidium tenue,894826.0,['Bacteria'],['Unknown'],['Cyanobacteria'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Phormidium'],['Phormidium tenue'],0,1,2.745281219482422 2877,227,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,QAIPRVGONGVQAS-UHFFFAOYSA-N,"InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)",O=C(O)C=Cc1ccc(O)c(O)c1,C9H8O4,pos_1_1proton1methanol,180.042258736,QAIPRVGONGVQAS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 2878,227,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,QAIPRVGONGVQAS-DUXPYHPUSA-N,"InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+",O=C(O)/C=C/c1ccc(O)c(O)c1,C9H8O4,pos_1_1proton1methanol,180.042258736,QAIPRVGONGVQAS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera bournei,5746380.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera bournei'],7,3,8.5 2768,226,-1,,,,0.9412416,ISDB,WWZTYXORWVAPSU-GTTSAUCSSA-N,"InChI=1S/C16H24O2/c1-10-5-7-15(4)9-12-11(13(17)18)6-8-16(10,12)14(15,2)3/h10H,5-9H2,1-4H3,(H,17,18)/t10-,15-,16+/m1/s1",C[C@@H]1CC[C@]2(C)CC3=C(C(=O)O)CC[C@@]31C2(C)C,C16H24O2,,248.177630008,WWZTYXORWVAPSU,Terpenoids,Sesquiterpenoids,Patchoulane sesquiterpenoids,Sandwithia guyanensis,786217.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Aleuritideae'],['Sandwithia'],['Sandwithia guyanensis'],4,0,7.7649664878845215 2769,226,-1,,,,0.9412416,ISDB,WWZTYXORWVAPSU-GTTSAUCSSA-N,"InChI=1S/C16H24O2/c1-10-5-7-15(4)9-12-11(13(17)18)6-8-16(10,12)14(15,2)3/h10H,5-9H2,1-4H3,(H,17,18)/t10-,15-,16+/m1/s1",C[C@@H]1CC[C@]2(C)CC3=C(C(=O)O)CC[C@@]31C2(C)C,C16H24O2,,248.177630008,WWZTYXORWVAPSU,Terpenoids,Sesquiterpenoids,Patchoulane sesquiterpenoids,Cladogynos orientalis,3914748.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Epiprineae'],['Cladogynos'],['Cladogynos orientalis'],4,0,7.7649664878845215 2770,226,-1,,,,0.9412416,ISDB,WWZTYXORWVAPSU-GTTSAUCSSA-N,"InChI=1S/C16H24O2/c1-10-5-7-15(4)9-12-11(13(17)18)6-8-16(10,12)14(15,2)3/h10H,5-9H2,1-4H3,(H,17,18)/t10-,15-,16+/m1/s1",C[C@@H]1CC[C@]2(C)CC3=C(C(=O)O)CC[C@@]31C2(C)C,C16H24O2,,248.177630008,WWZTYXORWVAPSU,Terpenoids,Sesquiterpenoids,Patchoulane sesquiterpenoids,Croton aromaticus,3913775.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Crotoneae'],['Croton'],['Croton aromaticus'],4,0,7.7649664878845215 2771,226,-1,,,,0.9412416,ISDB,WWZTYXORWVAPSU-GTTSAUCSSA-N,"InChI=1S/C16H24O2/c1-10-5-7-15(4)9-12-11(13(17)18)6-8-16(10,12)14(15,2)3/h10H,5-9H2,1-4H3,(H,17,18)/t10-,15-,16+/m1/s1",C[C@@H]1CC[C@]2(C)CC3=C(C(=O)O)CC[C@@]31C2(C)C,C16H24O2,,248.177630008,WWZTYXORWVAPSU,Terpenoids,Sesquiterpenoids,Patchoulane sesquiterpenoids,Joannesia princeps,485781.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Jatropheae'],['Joannesia'],['Joannesia princeps'],4,0,7.7649664878845215 2772,226,-1,,,,0.9412416,ISDB,WWZTYXORWVAPSU-GTTSAUCSSA-N,"InChI=1S/C16H24O2/c1-10-5-7-15(4)9-12-11(13(17)18)6-8-16(10,12)14(15,2)3/h10H,5-9H2,1-4H3,(H,17,18)/t10-,15-,16+/m1/s1",C[C@@H]1CC[C@]2(C)CC3=C(C(=O)O)CC[C@@]31C2(C)C,C16H24O2,,248.177630008,WWZTYXORWVAPSU,Terpenoids,Sesquiterpenoids,Patchoulane sesquiterpenoids,Croton crassifolius,850988.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Crotoneae'],['Croton'],['Croton crassifolius'],4,0,7.7649664878845215 2749,223,432,Polyketides,Glycerolipids,Glycosyldiacylglycerols,0.47405037,ISDB,KDYAPQVYJXUQNY-OPHDRXFHSA-N,"InChI=1S/C51H84O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42(53)61-36-39(64-43(54)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-62-50-49(60)47(58)45(56)41(66-50)38-63-51-48(59)46(57)44(55)40(35-52)65-51/h5-8,11-14,17-20,39-41,44-52,55-60H,3-4,9-10,15-16,21-38H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t39-,40-,41-,44+,45+,46+,47+,48-,49-,50-,51+/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C51H84O15,,936.5810219880002,KDYAPQVYJXUQNY,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Ranunculus fluitans,961752.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus fluitans'],6,3,9.396201491355896 2725,222,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QAIPRVGONGVQAS-DUXPYHPUSA-N,"InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+",O=C(O)/C=C/c1ccc(O)c(O)c1,C9H8O4,pos_1_1proton,180.042258736,QAIPRVGONGVQAS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis vitalba,756499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis vitalba'],8,3,9.5 2727,222,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QAIPRVGONGVQAS-UHFFFAOYSA-N,"InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)",O=C(O)C=Cc1ccc(O)c(O)c1,C9H8O4,pos_1_1proton,180.042258736,QAIPRVGONGVQAS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis delavayi,72769.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis delavayi'],8,3,9.5 2720,220,72,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.0,MS1_match,JGMYDQCXGIMHLL-WAYWQWQTSA-N,"InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h5-6H,2-4,7-15H2,1H3,(H,17,18)/b6-5-",CCCC/C=C\CCCCCCCCCC(=O)O,C16H30O2,pos_1_1sodium1acetonitrile,254.2245802,JGMYDQCXGIMHLL,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,1,7.5 2612,219,1031,Fatty acids,Fatty Acids and Conjugates,Carbocyclic fatty acids,0.35327345,ISDB,KLBSBBUHUGIULX-UHFFFAOYSA-N,"InChI=1S/C28H46O4/c29-28(30)20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-25-21-22-26-27(23-25)32-24-31-26/h21-23H,1-20,24H2,(H,29,30)",O=C(O)CCCCCCCCCCCCCCCCCCCCc1ccc2c(c1)OCO2,C28H46O4,,446.339609952,KLBSBBUHUGIULX,Fatty acids,Fatty Acids and Conjugates,Carbocyclic fatty acids,Iryanthera juruensis,6028378.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Myristicaceae'],['Unknown'],['Iryanthera'],['Iryanthera juruensis'],4,3,6.91309380531311 2578,217,627,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_sodium,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera fulvotomentosa,650610.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera fulvotomentosa'],7,3,8.5 2579,217,627,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_sodium,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 2580,217,627,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_sodium,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera macrantha,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 2581,217,627,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-PNQZTZQXSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14+,16-/m0/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1C[C@](O)(C(=O)O)C[C@H](O)[C@H]1O,C16H18O9,pos_1_sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera bournei,5746380.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera bournei'],7,3,8.5 2582,217,627,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_sodium,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera fulvotomentosa,650610.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera fulvotomentosa'],7,3,8.5 2583,217,627,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_sodium,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera confusa,594829.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera confusa'],7,3,8.5 2584,217,627,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_sodium,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera dasystyla,960340.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera dasystyla'],7,3,8.5 2585,217,627,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_sodium,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera similis,960338.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera similis'],7,3,8.5 2586,217,627,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_sodium,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera dasystyla,960340.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera dasystyla'],7,3,8.5 2587,217,627,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_sodium,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera confusa,594829.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera confusa'],7,3,8.5 2588,217,627,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera implexa,692207.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera implexa'],7,3,8.5 2589,217,627,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_sodium,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera macrantha,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 2590,217,627,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_sodium,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera hypoglauca,235196.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera hypoglauca'],7,3,8.5 2591,217,627,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera implexa,692207.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera implexa'],7,3,8.5 2592,217,627,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_sodium,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera similis,960338.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera similis'],7,3,8.5 2593,217,627,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_sodium,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 2594,217,627,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GWTUHAXUUFROTF-AVXJPILUSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-16(15(23)24)6-11(19)14(22)12(20)7-16/h1-5,11-12,14,17-20,22H,6-7H2,(H,23,24)/b4-2+/t11-,12-,14?,16?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC1(C(=O)O)C[C@@H](O)C(O)[C@H](O)C1,C16H18O9,pos_1_sodium,354.0950821559999,GWTUHAXUUFROTF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 2595,217,627,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-PNQZTZQXSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14+,16-/m0/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1C[C@](O)(C(=O)O)C[C@H](O)[C@H]1O,C16H18O9,pos_1_sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera bournei,5746380.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera bournei'],7,3,8.5 2596,217,627,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GWTUHAXUUFROTF-AVXJPILUSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-16(15(23)24)6-11(19)14(22)12(20)7-16/h1-5,11-12,14,17-20,22H,6-7H2,(H,23,24)/b4-2+/t11-,12-,14?,16?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC1(C(=O)O)C[C@@H](O)C(O)[C@H](O)C1,C16H18O9,pos_1_sodium,354.0950821559999,GWTUHAXUUFROTF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 2597,217,627,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_sodium,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera hypoglauca,235196.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera hypoglauca'],7,3,8.5 2547,215,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.61927927,ISDB,XFSSKYLJQBBIKJ-UHFFFAOYSA-N,"InChI=1S/C11H12O4/c1-7(2)5-11(14)15-10-6-8(12)3-4-9(10)13/h3-6,12-13H,1-2H3",CC(C)=CC(=O)Oc1cc(O)ccc1O,C11H12O4,,208.073558864,XFSSKYLJQBBIKJ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Calea jamaicensis,431707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Neurolaeneae'],['Calea'],['Calea jamaicensis'],4,3,7.97711706161499 2548,215,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.61927927,ISDB,XFSSKYLJQBBIKJ-UHFFFAOYSA-N,"InChI=1S/C11H12O4/c1-7(2)5-11(14)15-10-6-8(12)3-4-9(10)13/h3-6,12-13H,1-2H3",CC(C)=CC(=O)Oc1cc(O)ccc1O,C11H12O4,,208.073558864,XFSSKYLJQBBIKJ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Calea prunifolia,7606947.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Neurolaeneae'],['Calea'],['Calea prunifolia'],4,3,7.97711706161499 2535,214,-1,,,,0.0,MS1_match,HKZQJZIFODOLFR-UHFFFAOYSA-N,"InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h6H,4-5H2,1-3H3",CC1=CC(=O)C(=C(C)C)CC1,C10H14O,pos_1_1proton1acetonitrile,150.104465068,HKZQJZIFODOLFR,Terpenoids,Monoterpenoids,,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 2536,214,-1,,,,0.0,MS1_match,RECUKUPTGUEGMW-UHFFFAOYSA-N,"InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-7,11H,1-3H3",Cc1ccc(C(C)C)cc1O,C10H14O,pos_1_1proton1acetonitrile,150.104465068,RECUKUPTGUEGMW,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,0,7.0 2534,208,219,Fatty acids,Fatty acyls,Fatty aldehydes,0.4038729,ISDB,,,,,,,QDBLJDVWLXPWOQ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.6154916286468506 2532,201,-1,,,,0.0,MS1_match,GHVNFZFCNZKVNT-UHFFFAOYSA-N,"InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)",CCCCCCCCCC(=O)O,C10H20O2,pos_1_1sodium1acetonitrile,172.14632988,GHVNFZFCNZKVNT,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Staphisagria macrosperma,969162.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Staphisagria'],['Staphisagria macrosperma'],6,0,6.0 2533,201,-1,,,,0.0,MS1_match,GHVNFZFCNZKVNT-UHFFFAOYSA-N,"InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)",CCCCCCCCCC(=O)O,C10H20O2,pos_1_1sodium1acetonitrile,172.14632988,GHVNFZFCNZKVNT,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Delphinium staphisagria,969162.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Staphisagria'],['Staphisagria macrosperma'],6,0,6.0 1822,199,1105,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.39198747,ISDB,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera microphylla,980075.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera microphylla'],7,3,10.067949891090393 1801,197,1,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,YTZSBJLNMIQROD-RZYLQQLPSA-N,"InChI=1S/C17H26O11/c1-6-11-7(3-10(19)26-6)8(15(23)24-2)5-25-16(11)28-17-14(22)13(21)12(20)9(4-18)27-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6?,7-,9?,10?,11-,12?,13?,14?,16?,17?/m1/s1",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)[C@@H]2C(C)OC(O)C[C@H]12,C17H26O11,pos_1_1proton1ammonium,406.147511652,YTZSBJLNMIQROD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera alpigena,920868.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera alpigena'],8,3,9.5 1802,197,1,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,YTZSBJLNMIQROD-RZYLQQLPSA-N,"InChI=1S/C17H26O11/c1-6-11-7(3-10(19)26-6)8(15(23)24-2)5-25-16(11)28-17-14(22)13(21)12(20)9(4-18)27-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6?,7-,9?,10?,11-,12?,13?,14?,16?,17?/m1/s1",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)[C@@H]2C(C)OC(O)C[C@H]12,C17H26O11,pos_1_1proton1ammonium,406.147511652,YTZSBJLNMIQROD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera alpigena,920868.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera alpigena'],8,3,9.5 1803,197,1,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,YTZSBJLNMIQROD-RZYLQQLPSA-N,"InChI=1S/C17H26O11/c1-6-11-7(3-10(19)26-6)8(15(23)24-2)5-25-16(11)28-17-14(22)13(21)12(20)9(4-18)27-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6?,7-,9?,10?,11-,12?,13?,14?,16?,17?/m1/s1",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)[C@@H]2C(C)OC(O)C[C@H]12,C17H26O11,pos_1_1proton1ammonium,406.147511652,YTZSBJLNMIQROD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera alpigena,920868.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera alpigena'],8,3,9.5 1735,196,205,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.62296194,ISDB,DLDZDBDYUZLISX-QGZVFWFLSA-N,"InChI=1S/C19H23NO3/c1-20-9-8-14-11-19(23-3)18(21)12-16(14)17(20)10-13-4-6-15(22-2)7-5-13/h4-7,11-12,17,21H,8-10H2,1-3H3/t17-/m1/s1",COc1ccc(C[C@@H]2c3cc(O)c(OC)cc3CCN2C)cc1,C19H23NO3,,313.167793596,DLDZDBDYUZLISX,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Aconitum leucostomum,723178.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum leucostomum'],6,3,9.99184775352478 1690,194,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RKWHWFONKJEUEF-WYFQJXRYSA-N,"InChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26)/t16-,17+,18+,19-,21?/m1/s1",[O-]c1cc(-c2[o+]c3cc(O)cc(O)c3cc2OC2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)ccc1O,C21H20O11,pos_1_1proton,448.10056146,RKWHWFONKJEUEF,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Lonicera caerulea,1086606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caerulea'],8,2,9.0 1691,194,113,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RKWHWFONKJEUEF-WYFQJXRYSA-O,"InChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26)/p+1/t16-,17+,18+,19-,21?/m1/s1",OC[C@H]1OC(Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@H]1O,C21H21O11+,pos_1_1proton,449.10783791209,RKWHWFONKJEUEF,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Lonicera caucasica,5746390.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera caucasica'],8,2,9.0 1612,189,1599,Terpenoids,Sesquiterpenoids,Jasmonic acids,0.37831292,ISDB,GEWDNTWNSAZUDX-WQMVXFAESA-N,"InChI=1S/C13H20O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h4-5,10-11H,3,6-9H2,1-2H3/b5-4-/t10-,11-/m1/s1",CC/C=C\C[C@H]1C(=O)CC[C@@H]1CC(=O)OC,C13H20O3,,224.1412445,GEWDNTWNSAZUDX,Fatty acids,Octadecanoids,Jasmonic acids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,10.013251662254333 1601,183,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,BGDMXWQJUGENQP-QPCLWJSESA-N,"InChI=1S/C21H34O11/c1-9(2)3-15(25)32-20-16-11(4-13(24)12(16)5-22)10(7-29-20)8-30-21-19(28)18(27)17(26)14(6-23)31-21/h7,9,11-14,16-24,26-28H,3-6,8H2,1-2H3/t11-,12+,13+,14-,16+,17-,18+,19-,20+,21-/m1/s1",CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2C[C@H](O)[C@H](CO)[C@@H]12,C21H34O11,pos_1_1proton1ammonium,462.2101119079999,BGDMXWQJUGENQP,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,2,7.0 1602,183,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,BGDMXWQJUGENQP-QPCLWJSESA-N,"InChI=1S/C21H34O11/c1-9(2)3-15(25)32-20-16-11(4-13(24)12(16)5-22)10(7-29-20)8-30-21-19(28)18(27)17(26)14(6-23)31-21/h7,9,11-14,16-24,26-28H,3-6,8H2,1-2H3/t11-,12+,13+,14-,16+,17-,18+,19-,20+,21-/m1/s1",CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2C[C@H](O)[C@H](CO)[C@@H]12,C21H34O11,pos_1_1proton1ammonium,462.2101119079999,BGDMXWQJUGENQP,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana fauriei,228778.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana fauriei'],6,2,7.0 1603,183,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,BGDMXWQJUGENQP-QPCLWJSESA-N,"InChI=1S/C21H34O11/c1-9(2)3-15(25)32-20-16-11(4-13(24)12(16)5-22)10(7-29-20)8-30-21-19(28)18(27)17(26)14(6-23)31-21/h7,9,11-14,16-24,26-28H,3-6,8H2,1-2H3/t11-,12+,13+,14-,16+,17-,18+,19-,20+,21-/m1/s1",CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2C[C@H](O)[C@H](CO)[C@@H]12,C21H34O11,pos_1_1proton1ammonium,462.2101119079999,BGDMXWQJUGENQP,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia gibbosa,231859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia gibbosa'],6,2,7.0 1604,183,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,BGDMXWQJUGENQP-UHFFFAOYSA-N,"InChI=1S/C21H34O11/c1-9(2)3-15(25)32-20-16-11(4-13(24)12(16)5-22)10(7-29-20)8-30-21-19(28)18(27)17(26)14(6-23)31-21/h7,9,11-14,16-24,26-28H,3-6,8H2,1-2H3",CC(C)CC(=O)OC1OC=C(COC2OC(CO)C(O)C(O)C2O)C2CC(O)C(CO)C12,C21H34O11,pos_1_1proton1ammonium,462.2101119079999,BGDMXWQJUGENQP,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia scabiosifolia,231856.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia scabiosifolia'],6,2,7.0 1605,183,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,BGDMXWQJUGENQP-QPCLWJSESA-N,"InChI=1S/C21H34O11/c1-9(2)3-15(25)32-20-16-11(4-13(24)12(16)5-22)10(7-29-20)8-30-21-19(28)18(27)17(26)14(6-23)31-21/h7,9,11-14,16-24,26-28H,3-6,8H2,1-2H3/t11-,12+,13+,14-,16+,17-,18+,19-,20+,21-/m1/s1",CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2C[C@H](O)[C@H](CO)[C@@H]12,C21H34O11,pos_1_1proton1ammonium,462.2101119079999,BGDMXWQJUGENQP,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,2,7.0 1606,183,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,BGDMXWQJUGENQP-QPCLWJSESA-N,"InChI=1S/C21H34O11/c1-9(2)3-15(25)32-20-16-11(4-13(24)12(16)5-22)10(7-29-20)8-30-21-19(28)18(27)17(26)14(6-23)31-21/h7,9,11-14,16-24,26-28H,3-6,8H2,1-2H3/t11-,12+,13+,14-,16+,17-,18+,19-,20+,21-/m1/s1",CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2C[C@H](O)[C@H](CO)[C@@H]12,C21H34O11,pos_1_1proton1ammonium,462.2101119079999,BGDMXWQJUGENQP,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana fauriei,228778.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana fauriei'],6,2,7.0 1607,183,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,BGDMXWQJUGENQP-QPCLWJSESA-N,"InChI=1S/C21H34O11/c1-9(2)3-15(25)32-20-16-11(4-13(24)12(16)5-22)10(7-29-20)8-30-21-19(28)18(27)17(26)14(6-23)31-21/h7,9,11-14,16-24,26-28H,3-6,8H2,1-2H3/t11-,12+,13+,14-,16+,17-,18+,19-,20+,21-/m1/s1",CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2C[C@H](O)[C@H](CO)[C@@H]12,C21H34O11,pos_1_1proton1ammonium,462.2101119079999,BGDMXWQJUGENQP,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia gibbosa,231859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia gibbosa'],6,2,7.0 1608,183,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,BGDMXWQJUGENQP-UHFFFAOYSA-N,"InChI=1S/C21H34O11/c1-9(2)3-15(25)32-20-16-11(4-13(24)12(16)5-22)10(7-29-20)8-30-21-19(28)18(27)17(26)14(6-23)31-21/h7,9,11-14,16-24,26-28H,3-6,8H2,1-2H3",CC(C)CC(=O)OC1OC=C(COC2OC(CO)C(O)C(O)C2O)C2CC(O)C(CO)C12,C21H34O11,pos_1_1proton1ammonium,462.2101119079999,BGDMXWQJUGENQP,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia scabiosifolia,231856.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia scabiosifolia'],6,2,7.0 1609,183,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,RKKLMLPXHGWOKI-FXHXVMKNSA-N,"InChI=1S/C21H34O11/c1-10-5-31-21(11(2)3-4-12(10)21)9-30-18-16(25)15(24)14(23)13(32-18)6-28-19-17(26)20(27,7-22)8-29-19/h3,10,12-19,22-27H,4-9H2,1-2H3/t10-,12-,13-,14-,15+,16-,17+,18-,19-,20-,21-/m1/s1",CC1=CC[C@@H]2[C@H](C)CO[C@]12CO[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C21H34O11,pos_1_1proton1ammonium,462.2101119079999,RKKLMLPXHGWOKI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia scabra,68239.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia scabra'],6,2,7.0 1610,183,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,LANCLZFYVLANQS-RHMPUOGUSA-N,"InChI=1S/C21H34O11/c1-9(2)4-14(24)32-19-15-11(5-13(23)21(15,3)28)10(7-29-19)8-30-20-18(27)17(26)16(25)12(6-22)31-20/h7,9,11-13,15-20,22-23,25-28H,4-6,8H2,1-3H3/t11-,12-,13+,15-,16-,17+,18-,19+,20-,21-/m1/s1",CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2C[C@H](O)[C@@](C)(O)[C@@H]12,C21H34O11,pos_1_1proton1ammonium,462.210111908,LANCLZFYVLANQS,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana jatamansi,1035981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana jatamansi'],6,2,7.0 1611,183,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,LANCLZFYVLANQS-RHMPUOGUSA-N,"InChI=1S/C21H34O11/c1-9(2)4-14(24)32-19-15-11(5-13(23)21(15,3)28)10(7-29-19)8-30-20-18(27)17(26)16(25)12(6-22)31-20/h7,9,11-13,15-20,22-23,25-28H,4-6,8H2,1-3H3/t11-,12-,13+,15-,16-,17+,18-,19+,20-,21-/m1/s1",CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2C[C@H](O)[C@@](C)(O)[C@@H]12,C21H34O11,pos_1_1proton1ammonium,462.210111908,LANCLZFYVLANQS,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia gibbosa,231859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia gibbosa'],6,2,7.0 1556,181,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.4840305,ISDB,WXLVRXBQCVFTIV-ZKFUMLHISA-N,"InChI=1S/C21H36O7/c1-11-6-7-15(28-25)12(2)21(11)9-8-14(10-21)20(4,5)27-19-18(24)17(23)16(22)13(3)26-19/h11,13-19,22-25H,2,6-10H2,1,3-5H3/t11-,13-,14-,15-,16+,17+,18-,19+,21-/m1/s1",C=C1[C@H](OO)CC[C@@H](C)[C@]12CC[C@@H](C(C)(C)O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1O)C2,C21H36O7,,400.246103492,WXLVRXBQCVFTIV,Terpenoids,Sesquiterpenoids,Spirovetivane sesquiterpenoids,Carthamus oxyacanthus,139983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus oxyacanthus'],4,2,6.936121940612793 1557,181,67,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.4840305,ISDB,WXLVRXBQCVFTIV-ZKFUMLHISA-N,"InChI=1S/C21H36O7/c1-11-6-7-15(28-25)12(2)21(11)9-8-14(10-21)20(4,5)27-19-18(24)17(23)16(22)13(3)26-19/h11,13-19,22-25H,2,6-10H2,1,3-5H3/t11-,13-,14-,15-,16+,17+,18-,19+,21-/m1/s1",C=C1[C@H](OO)CC[C@@H](C)[C@]12CC[C@@H](C(C)(C)O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1O)C2,C21H36O7,,400.246103492,WXLVRXBQCVFTIV,Terpenoids,Sesquiterpenoids,Spirovetivane sesquiterpenoids,Carthamus oxyacantha,139983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus oxyacanthus'],4,2,6.936121940612793 1547,178,173,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.2434469,ISDB,VRPFJYGFBAJGLE-NPMAGFNESA-N,"InChI=1S/C11H18O4/c1-8(10(13)15-4)6-5-7-11(3,14)9(2)12/h5-7,9,12,14H,1-4H3/b7-5+,8-6+/t9-,11-/m1/s1",COC(=O)/C(C)=C/C=C/[C@@](C)(O)[C@@H](C)O,C11H18O4,,214.120509056,VRPFJYGFBAJGLE,,,,Penicillium citreonigrum,927515.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Penicillium'],['Penicillium citreonigrum'],1,0,1.9737876057624817 1548,178,173,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.2434469,ISDB,VRPFJYGFBAJGLE-NPMAGFNESA-N,"InChI=1S/C11H18O4/c1-8(10(13)15-4)6-5-7-11(3,14)9(2)12/h5-7,9,12,14H,1-4H3/b7-5+,8-6+/t9-,11-/m1/s1",COC(=O)/C(C)=C/C=C/[C@@](C)(O)[C@@H](C)O,C11H18O4,,214.120509056,VRPFJYGFBAJGLE,,,,Penicillium citreoviride,927515.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Penicillium'],['Penicillium citreonigrum'],1,0,1.9737876057624817 1538,176,-1,,,,0.0,MS1_match,WQSDYZZEIBAPIN-VBQORRLJSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+/t10-,12-,13+,14-,15+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O9,pos_1_sodium,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis tashiroi,21287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tashiroi'],8,0,8.0 1539,176,-1,,,,0.0,MS1_match,WQSDYZZEIBAPIN-VBQORRLJSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+/t10-,12-,13+,14-,15+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O9,pos_1_sodium,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis tashiroi,21287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tashiroi'],8,0,8.0 1540,176,-1,,,,0.0,MS1_match,WQSDYZZEIBAPIN-VBQORRLJSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+/t10-,12-,13+,14-,15+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O9,pos_1_sodium,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis tashiroi,21287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tashiroi'],8,0,8.0 1541,176,-1,,,,0.0,MS1_match,OHEYCHKLBCPRLZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(24-10)23-9-3-1-7(5-8(9)17)2-4-11(18)19/h1-5,10,12-17,20-22H,6H2,(H,18,19)/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1,C15H18O9,pos_1_sodium,342.09508215599993,OHEYCHKLBCPRLZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis tashiroi,21287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tashiroi'],8,0,8.0 1542,176,-1,,,,0.0,MS1_match,OHEYCHKLBCPRLZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(24-10)23-9-3-1-7(5-8(9)17)2-4-11(18)19/h1-5,10,12-17,20-22H,6H2,(H,18,19)/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1,C15H18O9,pos_1_sodium,342.09508215599993,OHEYCHKLBCPRLZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis tashiroi,21287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tashiroi'],8,0,8.0 1543,176,-1,,,,0.0,MS1_match,OHEYCHKLBCPRLZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(24-10)23-9-3-1-7(5-8(9)17)2-4-11(18)19/h1-5,10,12-17,20-22H,6H2,(H,18,19)/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1,C15H18O9,pos_1_sodium,342.09508215599993,OHEYCHKLBCPRLZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis tashiroi,21287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tashiroi'],8,0,8.0 1544,176,-1,,,,0.0,MS1_match,JVVFTHAOTNXPOZ-SSLCBRODSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_sodium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis tashiroi,21287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tashiroi'],8,0,8.0 1545,176,-1,,,,0.0,MS1_match,JVVFTHAOTNXPOZ-SSLCBRODSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_sodium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis tashiroi,21287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tashiroi'],8,0,8.0 1546,176,-1,,,,0.0,MS1_match,NEVMWOQJRSZYIC-UUANRDTJSA-N,"InChI=1S/C30H36O18/c1-39-13-5-11-6-14(40-2)25(13)47-29-23(35)21(33)19(31)17(45-29)10-44-28(38)12-7-15(41-3)26(16(8-12)42-4)48-30-24(36)22(34)20(32)18(46-30)9-43-27(11)37/h5-8,17-24,29-36H,9-10H2,1-4H3/t17-,18-,19-,20-,21+,22+,23-,24-,29+,30+/m1/s1",COc1cc2cc(OC)c1O[C@@H]1O[C@H](COC(=O)c3cc(OC)c(c(OC)c3)O[C@@H]3O[C@H](COC2=O)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]1O,C30H36O18,pos_2_2sodium,684.190164312,NEVMWOQJRSZYIC,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Clematis hexapetala,226633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis hexapetala'],8,0,8.0 1529,173,341,Terpenoids,Monoterpenoids,Cycloartane triterpenoids,0.0,MS1_match,XUJMHSCMPCZWOV-XDHAJMPNSA-N,"InChI=1S/C37H54O11/c1-17-12-37(29-34(7,47-29)30(42)48-37)46-20-13-32(5)22-9-8-21-31(3,4)23(45-28-27(41)26(40)19(39)15-43-28)10-11-35(21)16-36(22,35)14-24(44-18(2)38)33(32,6)25(17)20/h9,17,19-21,23-30,39-42H,8,10-16H2,1-7H3/t17-,19-,20+,21+,23-,24+,25+,26+,27-,28+,29-,30?,32+,33-,34+,35-,36?,37-/m1/s1",CC(=O)O[C@H]1CC23C[C@@]24CC[C@@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@@H]4CC=C3[C@]2(C)C[C@@H]3O[C@]4(C[C@@H](C)[C@@H]3[C@@]12C)OC(O)[C@@]1(C)O[C@@H]41,C37H54O11,pos_2_1proton1sodium,674.366612548,XUJMHSCMPCZWOV,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Actaea simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],6,3,7.5 1530,173,341,Terpenoids,Monoterpenoids,Cycloartane triterpenoids,0.0,MS1_match,XUJMHSCMPCZWOV-XDHAJMPNSA-N,"InChI=1S/C37H54O11/c1-17-12-37(29-34(7,47-29)30(42)48-37)46-20-13-32(5)22-9-8-21-31(3,4)23(45-28-27(41)26(40)19(39)15-43-28)10-11-35(21)16-36(22,35)14-24(44-18(2)38)33(32,6)25(17)20/h9,17,19-21,23-30,39-42H,8,10-16H2,1-7H3/t17-,19-,20+,21+,23-,24+,25+,26+,27-,28+,29-,30?,32+,33-,34+,35-,36?,37-/m1/s1",CC(=O)O[C@H]1CC23C[C@@]24CC[C@@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@@H]4CC=C3[C@]2(C)C[C@@H]3O[C@]4(C[C@@H](C)[C@@H]3[C@@]12C)OC(O)[C@@]1(C)O[C@@H]41,C37H54O11,pos_2_1proton1sodium,674.366612548,XUJMHSCMPCZWOV,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Cimicifuga simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],6,3,7.5 1531,173,341,Terpenoids,Monoterpenoids,Cycloartane triterpenoids,0.0,MS1_match,XUJMHSCMPCZWOV-XDHAJMPNSA-N,"InChI=1S/C37H54O11/c1-17-12-37(29-34(7,47-29)30(42)48-37)46-20-13-32(5)22-9-8-21-31(3,4)23(45-28-27(41)26(40)19(39)15-43-28)10-11-35(21)16-36(22,35)14-24(44-18(2)38)33(32,6)25(17)20/h9,17,19-21,23-30,39-42H,8,10-16H2,1-7H3/t17-,19-,20+,21+,23-,24+,25+,26+,27-,28+,29-,30?,32+,33-,34+,35-,36?,37-/m1/s1",CC(=O)O[C@H]1CC23C[C@@]24CC[C@@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@@H]4CC=C3[C@]2(C)C[C@@H]3O[C@]4(C[C@@H](C)[C@@H]3[C@@]12C)OC(O)[C@@]1(C)O[C@@H]41,C37H54O11,pos_2_1proton1sodium,674.366612548,XUJMHSCMPCZWOV,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Actaea racemosa,512702.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea racemosa'],6,3,7.5 1532,173,341,Terpenoids,Monoterpenoids,Cycloartane triterpenoids,0.0,MS1_match,XUJMHSCMPCZWOV-XDHAJMPNSA-N,"InChI=1S/C37H54O11/c1-17-12-37(29-34(7,47-29)30(42)48-37)46-20-13-32(5)22-9-8-21-31(3,4)23(45-28-27(41)26(40)19(39)15-43-28)10-11-35(21)16-36(22,35)14-24(44-18(2)38)33(32,6)25(17)20/h9,17,19-21,23-30,39-42H,8,10-16H2,1-7H3/t17-,19-,20+,21+,23-,24+,25+,26+,27-,28+,29-,30?,32+,33-,34+,35-,36?,37-/m1/s1",CC(=O)O[C@H]1CC23C[C@@]24CC[C@@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@@H]4CC=C3[C@]2(C)C[C@@H]3O[C@]4(C[C@@H](C)[C@@H]3[C@@]12C)OC(O)[C@@]1(C)O[C@@H]41,C37H54O11,pos_2_1proton1sodium,674.366612548,XUJMHSCMPCZWOV,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Actaea elata,988729.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea elata'],6,3,7.5 1533,173,341,Terpenoids,Monoterpenoids,Cycloartane triterpenoids,0.0,MS1_match,XUJMHSCMPCZWOV-XDHAJMPNSA-N,"InChI=1S/C37H54O11/c1-17-12-37(29-34(7,47-29)30(42)48-37)46-20-13-32(5)22-9-8-21-31(3,4)23(45-28-27(41)26(40)19(39)15-43-28)10-11-35(21)16-36(22,35)14-24(44-18(2)38)33(32,6)25(17)20/h9,17,19-21,23-30,39-42H,8,10-16H2,1-7H3/t17-,19-,20+,21+,23-,24+,25+,26+,27-,28+,29-,30?,32+,33-,34+,35-,36?,37-/m1/s1",CC(=O)O[C@H]1CC23C[C@@]24CC[C@@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@@H]4CC=C3[C@]2(C)C[C@@H]3O[C@]4(C[C@@H](C)[C@@H]3[C@@]12C)OC(O)[C@@]1(C)O[C@@H]41,C37H54O11,pos_2_1proton1sodium,674.366612548,XUJMHSCMPCZWOV,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Actaea cimicifuga,988720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea cimicifuga'],6,3,7.5 1534,173,341,Terpenoids,Monoterpenoids,Cycloartane triterpenoids,0.0,MS1_match,KRKLOCQWMFXIPR-UHFFFAOYSA-N,"InChI=1S/C37H54O11/c1-17-12-37(29-34(7,47-29)30(42)48-37)46-20-13-32(5)22-9-8-21-31(3,4)23(45-28-27(41)26(40)19(39)15-43-28)10-11-35(21)16-36(22,35)14-24(44-18(2)38)33(32,6)25(17)20/h17,19-29,39-41H,8-16H2,1-7H3",CC(=O)OC1CC23CC24CCC(OC2OCC(O)C(O)C2O)C(C)(C)C4CCC3C2(C)CC3OC4(CC(C)C3C12C)OC(=O)C1(C)OC41,C37H54O11,pos_2_1proton1sodium,674.366612548,KRKLOCQWMFXIPR,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Actaea racemosa,512702.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea racemosa'],6,3,7.5 1535,173,341,Terpenoids,Monoterpenoids,Cycloartane triterpenoids,0.0,MS1_match,KRKLOCQWMFXIPR-VHTKLTLISA-N,"InChI=1S/C37H54O11/c1-17-12-37(29-34(7,47-29)30(42)48-37)46-20-13-32(5)22-9-8-21-31(3,4)23(45-28-27(41)26(40)19(39)15-43-28)10-11-35(21)16-36(22,35)14-24(44-18(2)38)33(32,6)25(17)20/h17,19-29,39-41H,8-16H2,1-7H3/t17-,19-,20+,21+,22+,23+,24-,25+,26+,27-,28+,29+,32+,33-,34-,35-,36+,37-/m1/s1",CC(=O)O[C@@H]1C[C@@]23C[C@@]24CC[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@@H]4CC[C@H]3[C@]2(C)C[C@@H]3O[C@]4(C[C@@H](C)[C@@H]3[C@@]12C)OC(=O)[C@]1(C)O[C@H]41,C37H54O11,pos_2_1proton1sodium,674.366612548,KRKLOCQWMFXIPR,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Actaea yunnanensis,512689.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea yunnanensis'],6,3,7.5 1536,173,341,Terpenoids,Monoterpenoids,Cycloartane triterpenoids,0.0,MS1_match,OCINLUMMCFTHHP-BWMQIKCRSA-N,"InChI=1S/C37H54O11/c1-17(13-19(39)30-33(5,6)48-30)25-27(42)29(44)34(7)22-10-9-21-32(3,4)23(47-31-28(43)26(41)20(40)15-45-31)11-12-36(21)16-37(22,36)14-24(35(25,34)8)46-18(2)38/h10,17,20-21,23-26,28-31,40-41,43-44H,9,11-16H2,1-8H3/t17-,20+,21+,23+,24-,25+,26+,28-,29+,30+,31+,34-,35-,36-,37+/m1/s1",CC(=O)O[C@@H]1C[C@@]23C[C@@]24CC[C@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@@H]4CC=C3[C@]2(C)[C@@H](O)C(=O)[C@H]([C@H](C)CC(=O)[C@@H]3OC3(C)C)[C@@]12C,C37H54O11,pos_2_1proton1sodium,674.3666125480001,OCINLUMMCFTHHP,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Actaea simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],6,3,7.5 1537,173,341,Terpenoids,Monoterpenoids,Cycloartane triterpenoids,0.0,MS1_match,OCINLUMMCFTHHP-BWMQIKCRSA-N,"InChI=1S/C37H54O11/c1-17(13-19(39)30-33(5,6)48-30)25-27(42)29(44)34(7)22-10-9-21-32(3,4)23(47-31-28(43)26(41)20(40)15-45-31)11-12-36(21)16-37(22,36)14-24(35(25,34)8)46-18(2)38/h10,17,20-21,23-26,28-31,40-41,43-44H,9,11-16H2,1-8H3/t17-,20+,21+,23+,24-,25+,26+,28-,29+,30+,31+,34-,35-,36-,37+/m1/s1",CC(=O)O[C@@H]1C[C@@]23C[C@@]24CC[C@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@@H]4CC=C3[C@]2(C)[C@@H](O)C(=O)[C@H]([C@H](C)CC(=O)[C@@H]3OC3(C)C)[C@@]12C,C37H54O11,pos_2_1proton1sodium,674.3666125480001,OCINLUMMCFTHHP,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Cimicifuga simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],6,3,7.5 1528,170,-1,,,,0.0,MS1_match,RKMQRPYLPSKVNS-UHFFFAOYSA-N,"InChI=1S/C6H10O4/c1-10-6(9)3-2-5(8)4-7/h7H,2-4H2,1H3",COC(=O)CCC(=O)CO,C6H10O4,pos_2MHNH3,146.0579088,RKMQRPYLPSKVNS,Fatty acids,Fatty Acids and Conjugates,,Clematis delavayi,72769.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis delavayi'],8,0,8.0 1520,169,219,Fatty acids,Fatty acyls,Fatty aldehydes,0.33439416,ISDB,ILRSCQWREDREME-UHFFFAOYSA-N,"InChI=1S/C12H25NO/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H2,13,14)",CCCCCCCCCCCC(N)=O,C12H25NO,,199.19361442,ILRSCQWREDREME,Fatty acids,Fatty amides,Primary amides,Vitis vinifera,756728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Vitales'],['Vitaceae'],['Viteae'],['Vitis'],['Vitis vinifera'],4,1,5.837576627731323 1513,168,281,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.63523984,ISDB,MDZGQAYJCGFSNC-FKBIRUNOSA-N,"InChI=1S/C21H28O11/c1-18-8-30-17(28)19(18,2)16(27)20-5-11(23)32-21(18,20)4-3-9(20)7-29-15-14(26)13(25)12(24)10(6-22)31-15/h3,10,12-16,22,24-27H,4-8H2,1-2H3/t10-,12-,13+,14-,15-,16-,18-,19+,20+,21+/m1/s1",C[C@@]12COC(=O)[C@]1(C)[C@@H](O)[C@@]13CC(=O)O[C@@]21CC=C3CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C21H28O11,,456.1631617159999,MDZGQAYJCGFSNC,Terpenoids,,,Illicium majus,318167.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Austrobaileyales'],['Schisandraceae'],['Unknown'],['Illicium'],['Illicium majus'],4,1,7.040959358215332 1511,162,73,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.3076373,ISDB,,,,,,,WUHLDGKUYJARLK,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.2305492162704468 1298,160,86,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.45928362,ISDB,VSJGJMKGNMDJCI-ZASXJUAOSA-N,"InChI=1S/C16H22O9/c1-2-7-8-3-4-22-14(21)9(8)6-23-15(7)25-16-13(20)12(19)11(18)10(5-17)24-16/h2,6-8,10-13,15-20H,1,3-5H2/t7-,8+,10-,11-,12+,13-,15+,16+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCC[C@H]21,C16H22O9,,358.126382284,VSJGJMKGNMDJCI,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera morrowii,484242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera tatarica'],8,3,11.33713448047638 1244,159,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.78349096,ISDB,WECGLUPZRHILCT-KKFOGOCZSA-N,"InChI=1S/C21H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h6-7,9-10,20,22-23H,2-5,8,11-19H2,1H3/b7-6-,10-9-/t20-/m1/s1",CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](O)CO,C21H38O4,,354.27700969599994,WECGLUPZRHILCT,Fatty acids,Glycerolipids,Monoacylglycerols,Premna microphylla,503286.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Premna'],['Premna microphylla'],4,3,8.633963823318481 1245,159,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.78349096,ISDB,WECGLUPZRHILCT-UHFFFAOYSA-N,"InChI=1S/C21H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h6-7,9-10,20,22-23H,2-5,8,11-19H2,1H3",CCCCCC=CCC=CCCCCCCCC(=O)OCC(O)CO,C21H38O4,,354.27700969599994,WECGLUPZRHILCT,Fatty acids,Glycerolipids,Monoacylglycerols,Bauhinia,560314.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Cercideae'],['Bauhinia'],['Unknown'],4,3,8.633963823318481 1246,159,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.78349096,ISDB,WECGLUPZRHILCT-RISUCRHXSA-N,"InChI=1S/C21H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h6-7,9-10,20,22-23H,2-5,8,11-19H2,1H3/b7-6+,10-9+/t20-/m1/s1",CCCCC/C=C/C/C=C/CCCCCCCC(=O)OC[C@H](O)CO,C21H38O4,,354.27700969599994,WECGLUPZRHILCT,Fatty acids,Glycerolipids,Monoacylglycerols,Bauhinia purpurea,560318.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Cercideae'],['Bauhinia'],['Bauhinia purpurea'],4,3,8.633963823318481 1247,159,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.78349096,ISDB,WECGLUPZRHILCT-KKFOGOCZSA-N,"InChI=1S/C21H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h6-7,9-10,20,22-23H,2-5,8,11-19H2,1H3/b7-6-,10-9-/t20-/m1/s1",CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](O)CO,C21H38O4,,354.27700969599994,WECGLUPZRHILCT,Fatty acids,Glycerolipids,Monoacylglycerols,Mirabilis himalaica,985176.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Nyctaginaceae'],['Unknown'],['Mirabilis'],['Mirabilis himalaica'],4,3,8.633963823318481 1248,159,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.78349096,ISDB,WECGLUPZRHILCT-KKFOGOCZSA-N,"InChI=1S/C21H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h6-7,9-10,20,22-23H,2-5,8,11-19H2,1H3/b7-6-,10-9-/t20-/m1/s1",CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](O)CO,C21H38O4,,354.27700969599994,WECGLUPZRHILCT,Fatty acids,Glycerolipids,Monoacylglycerols,Polyalthia longifolia,204189.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Miliuseae'],['Monoon'],['Monoon longifolium'],4,3,8.633963823318481 1249,159,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.78349096,ISDB,WECGLUPZRHILCT-HZJYTTRNSA-N,"InChI=1S/C21H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h6-7,9-10,20,22-23H,2-5,8,11-19H2,1H3/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC(O)CO,C21H38O4,,354.277009696,WECGLUPZRHILCT,Fatty acids,Glycerolipids,Monoacylglycerols,Pseudostellaria heterophylla,698777.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Alsineae'],['Pseudostellaria'],['Pseudostellaria heterophylla'],4,3,8.633963823318481 1250,159,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.78349096,ISDB,WECGLUPZRHILCT-KKFOGOCZSA-N,"InChI=1S/C21H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h6-7,9-10,20,22-23H,2-5,8,11-19H2,1H3/b7-6-,10-9-/t20-/m1/s1",CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](O)CO,C21H38O4,,354.27700969599994,WECGLUPZRHILCT,Fatty acids,Glycerolipids,Monoacylglycerols,Saururus chinensis,154036.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Saururaceae'],['Unknown'],['Saururus'],['Saururus chinensis'],4,3,8.633963823318481 1251,159,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.78349096,ISDB,WECGLUPZRHILCT-HZJYTTRNSA-N,"InChI=1S/C21H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h6-7,9-10,20,22-23H,2-5,8,11-19H2,1H3/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC(O)CO,C21H38O4,,354.277009696,WECGLUPZRHILCT,Fatty acids,Glycerolipids,Monoacylglycerols,Nelumbo nucifera,532288.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Proteales'],['Nelumbonaceae'],['Unknown'],['Nelumbo'],['Nelumbo nucifera'],4,3,8.633963823318481 1252,159,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.78349096,ISDB,WECGLUPZRHILCT-HZJYTTRNSA-N,"InChI=1S/C21H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h6-7,9-10,20,22-23H,2-5,8,11-19H2,1H3/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC(O)CO,C21H38O4,,354.277009696,WECGLUPZRHILCT,Fatty acids,Glycerolipids,Monoacylglycerols,Saposhnikovia divaricata,737496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Selineae'],['Saposhnikovia'],['Saposhnikovia divaricata'],4,3,8.633963823318481 1253,159,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.78349096,ISDB,WECGLUPZRHILCT-RISUCRHXSA-N,"InChI=1S/C21H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h6-7,9-10,20,22-23H,2-5,8,11-19H2,1H3/b7-6+,10-9+/t20-/m1/s1",CCCCC/C=C/C/C=C/CCCCCCCC(=O)OC[C@H](O)CO,C21H38O4,,354.27700969599994,WECGLUPZRHILCT,Fatty acids,Glycerolipids,Monoacylglycerols,Bhesa paniculata,1079062.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Centroplacaceae'],['Unknown'],['Bhesa'],['Bhesa paniculata'],4,3,8.633963823318481 1254,159,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.78349096,ISDB,WECGLUPZRHILCT-KKFOGOCZSA-N,"InChI=1S/C21H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h6-7,9-10,20,22-23H,2-5,8,11-19H2,1H3/b7-6-,10-9-/t20-/m1/s1",CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](O)CO,C21H38O4,,354.27700969599994,WECGLUPZRHILCT,Fatty acids,Glycerolipids,Monoacylglycerols,Adenocaulon himalaicum,935632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Mutisieae'],['Adenocaulon'],['Adenocaulon himalaicum'],4,3,8.633963823318481 1255,159,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.78349096,ISDB,WECGLUPZRHILCT-KKFOGOCZSA-N,"InChI=1S/C21H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h6-7,9-10,20,22-23H,2-5,8,11-19H2,1H3/b7-6-,10-9-/t20-/m1/s1",CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](O)CO,C21H38O4,,354.27700969599994,WECGLUPZRHILCT,Fatty acids,Glycerolipids,Monoacylglycerols,Hernandia ovigera,1072062.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Hernandiaceae'],['Unknown'],['Hernandia'],['Hernandia ovigera'],4,3,8.633963823318481 1256,159,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.78349096,ISDB,WECGLUPZRHILCT-KKFOGOCZSA-N,"InChI=1S/C21H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h6-7,9-10,20,22-23H,2-5,8,11-19H2,1H3/b7-6-,10-9-/t20-/m1/s1",CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](O)CO,C21H38O4,,354.27700969599994,WECGLUPZRHILCT,Fatty acids,Glycerolipids,Monoacylglycerols,Hernandia guianensis,373836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Hernandiaceae'],['Unknown'],['Hernandia'],['Hernandia guianensis'],4,3,8.633963823318481 1257,159,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.78349096,ISDB,WECGLUPZRHILCT-KKFOGOCZSA-N,"InChI=1S/C21H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h6-7,9-10,20,22-23H,2-5,8,11-19H2,1H3/b7-6-,10-9-/t20-/m1/s1",CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](O)CO,C21H38O4,,354.27700969599994,WECGLUPZRHILCT,Fatty acids,Glycerolipids,Monoacylglycerols,Vitex agnus-castus,988127.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Vitex'],['Vitex agnus-castus'],4,3,8.633963823318481 1258,159,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.78349096,ISDB,WECGLUPZRHILCT-IHNKIBRCSA-N,"InChI=1S/C21H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h6-7,9-10,20,22-23H,2-5,8,11-19H2,1H3/b7-6+,10-9-/t20-/m1/s1",CCCCC/C=C/C/C=C\CCCCCCCC(=O)OC[C@H](O)CO,C21H38O4,,354.277009696,WECGLUPZRHILCT,Fatty acids,Glycerolipids,Monoacylglycerols,Hyoscyamus niger,822716.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Hyoscyamus'],['Hyoscyamus niger'],4,3,8.633963823318481 1259,159,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.78349096,ISDB,WECGLUPZRHILCT-KKFOGOCZSA-N,"InChI=1S/C21H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h6-7,9-10,20,22-23H,2-5,8,11-19H2,1H3/b7-6-,10-9-/t20-/m1/s1",CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](O)CO,C21H38O4,,354.27700969599994,WECGLUPZRHILCT,Fatty acids,Glycerolipids,Monoacylglycerols,Panax ginseng,524063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax ginseng'],4,3,8.633963823318481 1229,156,-1,,,,0.5798264,ISDB,KIGOXANJBVQEHO-VZPOVYNMSA-N,"InChI=1S/C29H48/c1-19-12-15-26(4)17-18-28(6)23(25(26)21(19)3)10-11-24-27(5)14-8-9-20(2)22(27)13-16-29(24,28)7/h10,19-22,24-25H,8-9,11-18H2,1-7H3/t19-,20-,21+,22+,24-,25+,26-,27+,28-,29-/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC[C@@H](C)[C@@H]5CC[C@]43C)[C@H]12,C29H48,,396.375601536,KIGOXANJBVQEHO,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Haloxylon salicornicum,499681.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Chenopodiaceae'],['Salsoleae'],['Haloxylon'],['Haloxylon salicornicum'],4,0,6.319305658340454 1207,155,37,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.22533542,ISDB,QFDYIDGUKXRPKH-VSLGLSMXSA-N,"InChI=1S/C44H78NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-23,42H,6-7,9,11-13,18-19,24-41H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,23-21-/t42-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC,C44H78NO8P,,779.546505086,QFDYIDGUKXRPKH,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Aphis gossypii,1026471.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hemiptera'],['Aphididae'],['Aphidini'],['Aphis'],['Aphis gossypii'],1,3,3.401341676712036 1208,155,37,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.22533542,ISDB,QFDYIDGUKXRPKH-VSLGLSMXSA-N,"InChI=1S/C44H78NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-23,42H,6-7,9,11-13,18-19,24-41H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,23-21-/t42-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC,C44H78NO8P,,779.546505086,QFDYIDGUKXRPKH,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Lysiphlebia japonica,697724.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hymenoptera'],['Braconidae'],['Unknown'],['Lysiphlebia'],['Lysiphlebia japonica'],1,3,3.401341676712036 1205,154,-1,,,,0.0,MS1_match,XEOKATHZLYGOQV-GVODYPPYSA-N,"InChI=1S/C36H58O11/c1-16-12-17-27(31(4,5)43)47-36(46-17)26(16)32(6)10-11-34-15-35(34)19(8-9-20(34)33(32,7)29(36)42)30(2,3)22(13-21(35)38)45-28-25(41)24(40)23(39)18(14-37)44-28/h16-29,37-43H,8-15H2,1-7H3/t16-,17-,18-,19+,20-,21+,22+,23+,24+,25-,26-,27+,28+,29-,32-,33-,34+,35-,36+/m1/s1",C[C@@H]1C[C@H]2O[C@@]3(O[C@@H]2C(C)(C)O)[C@H](O)[C@@]2(C)[C@H]4CC[C@H]5C(C)(C)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)C[C@H](O)[C@@]56C[C@@]46CC[C@]2(C)[C@@H]13,C36H58O11,pos_1_1proton1ethylamine,666.397912676,XEOKATHZLYGOQV,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Actaea simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],6,0,6.0 1206,154,-1,,,,0.0,MS1_match,XEOKATHZLYGOQV-GVODYPPYSA-N,"InChI=1S/C36H58O11/c1-16-12-17-27(31(4,5)43)47-36(46-17)26(16)32(6)10-11-34-15-35(34)19(8-9-20(34)33(32,7)29(36)42)30(2,3)22(13-21(35)38)45-28-25(41)24(40)23(39)18(14-37)44-28/h16-29,37-43H,8-15H2,1-7H3/t16-,17-,18-,19+,20-,21+,22+,23+,24+,25-,26-,27+,28+,29-,32-,33-,34+,35-,36+/m1/s1",C[C@@H]1C[C@H]2O[C@@]3(O[C@@H]2C(C)(C)O)[C@H](O)[C@@]2(C)[C@H]4CC[C@H]5C(C)(C)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)C[C@H](O)[C@@]56C[C@@]46CC[C@]2(C)[C@@H]13,C36H58O11,pos_1_1proton1ethylamine,666.397912676,XEOKATHZLYGOQV,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Cimicifuga simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],6,0,6.0 1201,149,776,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.32027084,ISDB,GUAHPAJOXVYFON-UHFFFAOYSA-N,"InChI=1S/C9H17NO3/c1-7(10)8(11)5-3-2-4-6-9(12)13/h7H,2-6,10H2,1H3,(H,12,13)",CC(N)C(=O)CCCCCC(=O)O,C9H17NO3,,187.120843404,GUAHPAJOXVYFON,Amino acids and Peptides,Small peptides,Aminoacids,Phycomyces blakesleeanus,735973.0,['Eukaryota'],['Fungi'],['Unknown'],['Mucoromycetes'],['Mucorales'],['Phycomycetaceae'],['Unknown'],['Phycomyces'],['Phycomyces blakesleeanus'],1,0,2.281083345413208 1202,149,776,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.32027084,ISDB,GUAHPAJOXVYFON-UHFFFAOYSA-N,"InChI=1S/C9H17NO3/c1-7(10)8(11)5-3-2-4-6-9(12)13/h7H,2-6,10H2,1H3,(H,12,13)",CC(N)C(=O)CCCCCC(=O)O,C9H17NO3,,187.120843404,GUAHPAJOXVYFON,Amino acids and Peptides,Small peptides,Aminoacids,Apis cerana,625771.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hymenoptera'],['Apidae'],['Apini'],['Apis'],['Apis cerana'],1,0,2.281083345413208 1203,149,776,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.32027084,ISDB,GUAHPAJOXVYFON-UHFFFAOYSA-N,"InChI=1S/C9H17NO3/c1-7(10)8(11)5-3-2-4-6-9(12)13/h7H,2-6,10H2,1H3,(H,12,13)",CC(N)C(=O)CCCCCC(=O)O,C9H17NO3,,187.120843404,GUAHPAJOXVYFON,Amino acids and Peptides,Small peptides,Aminoacids,Leishmania donovani,766598.0,['Eukaryota'],['Unknown'],['Unknown'],['Unknown'],['Kinetoplastea'],['Unknown'],['Unknown'],['Leishmania'],['Leishmania donovani'],1,0,2.281083345413208 1204,149,776,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.32027084,ISDB,GUAHPAJOXVYFON-UHFFFAOYSA-N,"InChI=1S/C9H17NO3/c1-7(10)8(11)5-3-2-4-6-9(12)13/h7H,2-6,10H2,1H3,(H,12,13)",CC(N)C(=O)CCCCCC(=O)O,C9H17NO3,,187.120843404,GUAHPAJOXVYFON,Amino acids and Peptides,Small peptides,Aminoacids,Ailuropoda melanoleuca,872573.0,['Eukaryota'],['Metazoa'],['Chordata'],['Mammalia'],['Carnivora'],['Ursidae'],['Unknown'],['Ailuropoda'],['Ailuropoda melanoleuca'],1,0,2.281083345413208 1191,148,639,Terpenoids,Sesquiterpenoids,Menthane monoterpenoids,0.2446053,ISDB,HAQGPJPCMFOGLO-UHFFFAOYSA-N,"InChI=1S/C14H22O2/c1-4-5-14(15)16-10-12-6-8-13(9-7-12)11(2)3/h6,13H,2,4-5,7-10H2,1,3H3",C=C(C)C1CC=C(COC(=O)CCC)CC1,C14H22O2,,222.161979944,HAQGPJPCMFOGLO,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Salvia dorisiana,497988.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia dorisiana'],4,3,6.478421211242676 1184,147,-1,,,,0.0,MS1_match,PUJPMGBYYYNBII-OGVVJMRYSA-N,"InChI=1S/C24H39NO4/c1-6-25-12-22(2)8-7-18(28-4)24-14-9-13-16(27-3)11-23(29-5,19(14)20(13)26)15(21(24)25)10-17(22)24/h13-21,26H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21-,22+,23+,24-/m1/s1",CCN1C[C@]2(C)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](OC)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C24H39NO4,pos_2_2proton1ammonium,405.2879087279999,PUJPMGBYYYNBII,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium verdunense,142827.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium verdunense'],6,0,6.0 1140,145,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,CSKKDSFETGLMSB-QOMIBOLPSA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11-,12-,13+,14-,16+,17-/m1/s1",C=C[C@H]1[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC=O,C17H24O10,pos_1_sodium,388.136946968,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera periclymenum,811893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera periclymenum'],8,3,9.5 1141,145,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,CSKKDSFETGLMSB-QOMIBOLPSA-N,"InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11-,12-,13+,14-,16+,17-/m1/s1",C=C[C@H]1[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC=O,C17H24O10,pos_1_sodium,388.136946968,CSKKDSFETGLMSB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera periclymenum,811893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera periclymenum'],8,3,9.5 1137,143,219,Fatty acids,Fatty acyls,Fatty aldehydes,0.0,MS1_match,FLIACVVOZYBSBS-UHFFFAOYSA-N,"InChI=1S/C17H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h3-16H2,1-2H3",CCCCCCCCCCCCCCCC(=O)OC,C17H34O2,pos_1_1proton1ammonium,270.255880328,FLIACVVOZYBSBS,Fatty acids,Fatty esters,Wax monoesters,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,1,7.5 1122,141,165,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,TYWXNGXVSZRXNA-NVZSGMJQSA-N,"InChI=1S/C11H16O8/c12-3-6-8(14)9(15)10(16)11(19-6)17-4-5-1-2-7(13)18-5/h1-2,5-6,8-12,14-16H,3-4H2/t5-,6+,8+,9-,10+,11+/m0/s1",O=C1C=C[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O1,C11H16O8,pos_1_1proton1ammonium,276.084517472,TYWXNGXVSZRXNA,,,,Clematis ligusticifolia,964063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis ligusticifolia'],8,0,8.0 1119,138,219,Fatty acids,Fatty acyls,Fatty aldehydes,0.0,MS1_match,FXHGMKSSBGDXIY-UHFFFAOYSA-N,"InChI=1S/C7H14O/c1-2-3-4-5-6-7-8/h7H,2-6H2,1H3",CCCCCCC=O,C7H14O,pos_2MHNH3,114.104465068,FXHGMKSSBGDXIY,Fatty acids,Fatty acyls,Fatty aldehydes,Patrinia villosa,971855.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia villosa'],6,3,7.5 1118,136,83,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.5126529,ISDB,,,,,,,IIRDTKBZINWQAW,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.0506114959716797 1114,129,182,Terpenoids,,,0.28481978,ISDB,YFSJBBMDQKSVOR-BUSNQDHMSA-N,"InChI=1S/C36H44O10/c1-18-7-8-21-31(42)26(45-6)14-28(41)36(21,29-13-24(40)30-23(39)11-19(37)12-25(30)46-29)22(18)17-35(44)33(4)16-20(38)15-32(2,3)27(33)9-10-34(35,5)43/h7,11-14,20-22,27,37-39,43-44H,8-10,15-17H2,1-6H3/t20-,21-,22+,27-,33-,34+,35-,36-/m0/s1",COC1=CC(=O)[C@@]2(c3cc(=O)c4c(O)cc(O)cc4o3)[C@H](C[C@]3(O)[C@@]4(C)C[C@@H](O)CC(C)(C)[C@@H]4CC[C@@]3(C)O)C(C)=CC[C@H]2C1=O,C36H44O10,,636.293447608,YFSJBBMDQKSVOR,Terpenoids,,,Stachys cinerea,7629252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Stachydeae'],['Stachys'],['Stachys cinerea'],4,1,5.639279127120972 1115,129,182,Terpenoids,,,0.28481978,ISDB,YFSJBBMDQKSVOR-BUSNQDHMSA-N,"InChI=1S/C36H44O10/c1-18-7-8-21-31(42)26(45-6)14-28(41)36(21,29-13-24(40)30-23(39)11-19(37)12-25(30)46-29)22(18)17-35(44)33(4)16-20(38)15-32(2,3)27(33)9-10-34(35,5)43/h7,11-14,20-22,27,37-39,43-44H,8-10,15-17H2,1-6H3/t20-,21-,22+,27-,33-,34+,35-,36-/m0/s1",COC1=CC(=O)[C@@]2(c3cc(=O)c4c(O)cc(O)cc4o3)[C@H](C[C@]3(O)[C@@]4(C)C[C@@H](O)CC(C)(C)[C@@H]4CC[C@@]3(C)O)C(C)=CC[C@H]2C1=O,C36H44O10,,636.293447608,YFSJBBMDQKSVOR,Terpenoids,,,Dichrostachys cinerea,581363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Mimoseae'],['Dichrostachys'],['Dichrostachys cinerea'],4,1,5.639279127120972 1116,129,182,Terpenoids,,,0.28481978,ISDB,YFSJBBMDQKSVOR-BUSNQDHMSA-N,"InChI=1S/C36H44O10/c1-18-7-8-21-31(42)26(45-6)14-28(41)36(21,29-13-24(40)30-23(39)11-19(37)12-25(30)46-29)22(18)17-35(44)33(4)16-20(38)15-32(2,3)27(33)9-10-34(35,5)43/h7,11-14,20-22,27,37-39,43-44H,8-10,15-17H2,1-6H3/t20-,21-,22+,27-,33-,34+,35-,36-/m0/s1",COC1=CC(=O)[C@@]2(c3cc(=O)c4c(O)cc(O)cc4o3)[C@H](C[C@]3(O)[C@@]4(C)C[C@@H](O)CC(C)(C)[C@@H]4CC[C@@]3(C)O)C(C)=CC[C@H]2C1=O,C36H44O10,,636.293447608,YFSJBBMDQKSVOR,Terpenoids,,,Stachys germanica,291074.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Stachydeae'],['Stachys'],['Stachys germanica'],4,1,5.639279127120972 1110,128,73,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.34774187,ISDB,UORRAKMCELTARB-SQKRHONHSA-N,"InChI=1S/C45H68O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,29,31,38-39,42-46,49-51H,3-4,9-10,15-16,21-22,27-28,30,32-37H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-/t38-,39-,42+,43+,44-,45-/m1/s1",CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC,C45H68O10,,768.4812483759998,UORRAKMCELTARB,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Heterocapsa circularisquama,817277.0,['Eukaryota'],['Unknown'],['Unknown'],['Dinophyceae'],['Peridiniales'],['Unknown'],['Unknown'],['Heterocapsa'],['Heterocapsa circularisquama'],1,0,2.3909674882888794 1111,128,73,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.34774187,ISDB,UORRAKMCELTARB-CVELTQQQSA-N,"InChI=1S/C45H68O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,29,31,38-39,42-46,49-51H,3-4,9-10,15-16,21-22,27-28,30,32-37H2,1-2H3/t38-,39-,42+,43+,44-,45-/m1/s1",CCC=CCC=CCC=CCC=CCC=CCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCC=CCC=CCC=CCC=CCC,C45H68O10,,768.481248376,UORRAKMCELTARB,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Phaeodactylum tricornutum,529438.0,['Eukaryota'],['Unknown'],['Bacillariophyta'],['Bacillariophyceae'],['Unknown'],['Unknown'],['Unknown'],['Phaeodactylum'],['Phaeodactylum tricornutum'],1,0,2.3909674882888794 1112,128,73,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.34774187,ISDB,UORRAKMCELTARB-DXIJFMLOSA-N,"InChI=1S/C45H68O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,29,31,38-39,42-46,49-51H,3-4,9-10,15-16,21-22,27-28,30,32-37H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-/t38-,39+,42-,43-,44+,45+/m0/s1",CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC(=O)OC[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC,C45H68O10,,768.481248376,UORRAKMCELTARB,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Heterosigma akashiwo,427257.0,['Eukaryota'],['Unknown'],['Unknown'],['Raphidophyceae'],['Unknown'],['Unknown'],['Unknown'],['Heterosigma'],['Heterosigma akashiwo'],1,0,2.3909674882888794 1113,128,73,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.34774187,ISDB,UORRAKMCELTARB-ZAXHEUPSSA-N,"InChI=1S/C45H68O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,29,31,38-39,42-46,49-51H,3-4,9-10,15-16,21-22,27-28,30,32-37H2,1-2H3/b7-5+,8-6+,13-11+,14-12+,19-17+,20-18+,25-23+,26-24+,31-29+/t38-,39-,42+,43+,44-,45-/m1/s1",CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCC/C=C/C/C=C/C/C=C/C/C=C/CC,C45H68O10,,768.481248376,UORRAKMCELTARB,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Amphidinium,746952.0,['Eukaryota'],['Unknown'],['Unknown'],['Dinophyceae'],['Unknown'],['Unknown'],['Unknown'],['Amphidinium'],['Unknown'],1,0,2.3909674882888794 1096,127,11,Alkaloids,Monoterpenoids,Iridoids monoterpenoids,0.69629216,ISDB,,,,,,,ZOGNWEIKQILIRK,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.7851686477661133 1092,126,776,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,DCOXHWQGDCRPOB-QKNQBKEWSA-N,"InChI=1S/C21H32O2/c1-13(2)15-11-14-7-8-18-20(3,4)19(22)9-10-21(18,5)16(14)12-17(15)23-6/h11-13,18-19,22H,7-10H2,1-6H3/t18-,19+,21+/m0/s1",COc1cc2c(cc1C(C)C)CC[C@H]1C(C)(C)[C@H](O)CC[C@]21C,C21H32O2,pos_2_1proton1sodium,316.240230264,DCOXHWQGDCRPOB,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Tripterygium wilfordii,300831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium wilfordii'],6,0,6.0 1093,126,776,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,JSUPHJSYWDZOIC-UHFFFAOYSA-N,"InChI=1S/C21H32O2/c1-13(2)14-7-9-16-15(19(14)23-6)8-10-17-20(3,4)18(22)11-12-21(16,17)5/h7,9,13,17-18,22H,8,10-12H2,1-6H3",COc1c(C(C)C)ccc2c1CCC1C2(C)CCC(O)C1(C)C,C21H32O2,pos_2_1proton1sodium,316.240230264,JSUPHJSYWDZOIC,Terpenoids,Diterpenoids,Abietane diterpenoids,Tripterygium wilfordii,300831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium wilfordii'],6,0,6.0 1044,125,374,Terpenoids,Steroids,Cholestane steroids,0.0,MS1_match,SWXBCXVNBGHVGG-VKGQNDASSA-N,"InChI=1S/C30H50O3/c1-19-20(31)8-9-21-26(19,4)11-10-22-27(21,5)13-14-29(7)23-18-25(2,3)12-16-30(23,24(32)33)17-15-28(22,29)6/h19-23,31H,8-18H2,1-7H3,(H,32,33)/t19-,20-,21+,22-,23-,26+,27-,28+,29-,30-/m0/s1",C[C@H]1[C@@H](O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC(C)(C)CC[C@]3(C(=O)O)CC[C@]12C,C30H50O3,pos_1_1proton1ammonium,458.37599546,SWXBCXVNBGHVGG,Terpenoids,Triterpenoids,Friedelane triterpenoids,Euonymus revolutus,6092646.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus revolutus'],7,1,7.5 1045,125,374,Terpenoids,Steroids,Cholestane steroids,0.0,MS1_match,FEHZXRNYETYZHE-NJURUNNASA-N,"InChI=1S/C30H50O3/c1-18(25(32)33)19-10-13-27(4)16-17-29(6)20(24(19)27)8-9-22-28(5)14-12-23(31)26(2,3)21(28)11-15-30(22,29)7/h18-24,31H,8-17H2,1-7H3,(H,32,33)/t18-,19-,20+,21-,22+,23+,24+,27+,28-,29+,30+/m0/s1",C[C@H](C(=O)O)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H50O3,pos_1_1proton1ammonium,458.37599546,FEHZXRNYETYZHE,Terpenoids,Triterpenoids,Lupane triterpenoids,Euonymus carnosus,514583.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus carnosus'],7,1,7.5 1046,125,374,Terpenoids,Steroids,Cholestane steroids,0.0,MS1_match,AFWRKTVVNVXFHY-KZJFYOBUSA-N,"InChI=1S/C30H50O3/c1-18(17-31)19-10-13-27(4)16-24(33)30(7)20(25(19)27)8-9-22-28(5)14-12-23(32)26(2,3)21(28)11-15-29(22,30)6/h18-22,24-25,31,33H,8-17H2,1-7H3/t18-,19-,20+,21-,22+,24-,25+,27+,28-,29+,30-/m0/s1",C[C@@H](CO)[C@@H]1CC[C@]2(C)C[C@H](O)[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H50O3,pos_1_1proton1ammonium,458.37599546,AFWRKTVVNVXFHY,Terpenoids,Triterpenoids,Lupane triterpenoids,Euonymus carnosus,514583.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus carnosus'],7,1,7.5 1047,125,374,Terpenoids,Steroids,Cholestane steroids,0.0,MS1_match,FCAUUNRKGRZMEJ-GRTLOISGSA-N,"InChI=1S/C30H50O3/c1-18(17-31)19-10-12-27(4)14-15-29(6)20(25(19)27)8-9-21-28(5)13-11-23(32)26(2,3)22(28)16-24(33)30(21,29)7/h18-22,24-25,31,33H,8-17H2,1-7H3/t18-,19-,20+,21+,22-,24-,25+,27+,28+,29+,30-/m0/s1",C[C@@H](CO)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5C[C@H](O)[C@]43C)[C@@H]12,C30H50O3,pos_1_1proton1ammonium,458.37599546,FCAUUNRKGRZMEJ,Terpenoids,Triterpenoids,Lupane triterpenoids,Euonymus carnosus,514583.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus carnosus'],7,1,7.5 1048,125,374,Terpenoids,Steroids,Cholestane steroids,0.0,MS1_match,ZMSNKXDPESNSSS-CUKXIHTOSA-N,"InChI=1S/C30H50O3/c1-20-21(33)7-8-22-26(20,3)10-9-23-27(22,4)12-13-29(6)24-17-25(2,18-31)11-15-30(24,19-32)16-14-28(23,29)5/h20,22-24,31-32H,7-19H2,1-6H3/t20-,22+,23-,24-,25+,26+,27-,28+,29-,30+/m0/s1",C[C@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(CO)CC[C@]3(CO)CC[C@]12C,C30H50O3,pos_1_1proton1ammonium,458.37599546,ZMSNKXDPESNSSS,Terpenoids,Triterpenoids,Friedelane triterpenoids,Euonymus revolutus,6092646.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus revolutus'],7,1,7.5 1029,124,-1,,,,0.0,MS1_match,TYWXNGXVSZRXNA-NVZSGMJQSA-N,"InChI=1S/C11H16O8/c12-3-6-8(14)9(15)10(16)11(19-6)17-4-5-1-2-7(13)18-5/h1-2,5-6,8-12,14-16H,3-4H2/t5-,6+,8+,9-,10+,11+/m0/s1",O=C1C=C[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O1,C11H16O8,pos_1_sodium,276.084517472,TYWXNGXVSZRXNA,,,,Clematis ligusticifolia,964063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis ligusticifolia'],8,0,8.0 1027,123,-1,,,,0.0,MS1_match,JOZKFWLRHCDGJA-LLVKDONJSA-N,"InChI=1S/C12H22O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,11H,5,7-9H2,1-4H3/t11-/m1/s1",CC(=O)OCC[C@H](C)CCC=C(C)C,C12H22O2,pos_1_1proton1ammonium,198.161979944,JOZKFWLRHCDGJA,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,0,6.0 1017,121,146,Carbohydrates,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Dipsacus asper,365911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Dipsacus'],['Dipsacus asper'],6,3,7.5 1018,121,146,Carbohydrates,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Dipsacus inermis,776357.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Dipsacus'],['Dipsacus inermis'],6,3,7.5 1019,121,146,Carbohydrates,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Cephalaria procera,6061197.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Cephalaria'],['Cephalaria procera'],6,3,7.5 1020,121,146,Carbohydrates,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Cephalaria kotschyi,6061197.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Cephalaria'],['Cephalaria procera'],6,3,7.5 1021,121,146,Carbohydrates,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Cephalaria nachiczevanica,6061192.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Cephalaria'],['Cephalaria nachiczevanica'],6,3,7.5 1022,121,146,Carbohydrates,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Dipsacus asper,365911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Dipsacus'],['Dipsacus asper'],6,3,7.5 1023,121,146,Carbohydrates,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Dipsacus inermis,776357.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Dipsacus'],['Dipsacus inermis'],6,3,7.5 1024,121,146,Carbohydrates,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Cephalaria procera,6061197.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Cephalaria'],['Cephalaria procera'],6,3,7.5 1025,121,146,Carbohydrates,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Cephalaria kotschyi,6061197.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Cephalaria'],['Cephalaria procera'],6,3,7.5 1026,121,146,Carbohydrates,Saccharides,Disaccharides,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Cephalaria nachiczevanica,6061192.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Cephalaria'],['Cephalaria nachiczevanica'],6,3,7.5 1012,117,432,Polyketides,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,KDYAPQVYJXUQNY-OPHDRXFHSA-N,"InChI=1S/C51H84O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42(53)61-36-39(64-43(54)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-62-50-49(60)47(58)45(56)41(66-50)38-63-51-48(59)46(57)44(55)40(35-52)65-51/h5-8,11-14,17-20,39-41,44-52,55-60H,3-4,9-10,15-16,21-38H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t39-,40-,41-,44+,45+,46+,47+,48-,49-,50-,51+/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C51H84O15,pos_1_sodium,936.5810219880002,KDYAPQVYJXUQNY,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Ranunculus fluitans,961752.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus fluitans'],6,3,7.5 1013,117,432,Polyketides,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,KDYAPQVYJXUQNY-OPHDRXFHSA-N,"InChI=1S/C51H84O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42(53)61-36-39(64-43(54)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-62-50-49(60)47(58)45(56)41(66-50)38-63-51-48(59)46(57)44(55)40(35-52)65-51/h5-8,11-14,17-20,39-41,44-52,55-60H,3-4,9-10,15-16,21-38H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t39-,40-,41-,44+,45+,46+,47+,48-,49-,50-,51+/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C51H84O15,pos_1_sodium,936.5810219880002,KDYAPQVYJXUQNY,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Ranunculus fluitans,961752.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus fluitans'],6,3,7.5 1010,115,7,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.2432455,ISDB,VLEXYJYNPNSQRM-XRXBZNFBSA-N,"InChI=1S/C36H57NO4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-34(38)40-27-31(35(2,3)39)30-26-37-32-23-22-28(24-29(30)32)25-33-36(4,5)41-33/h13-14,22-24,26,31,33,37,39H,6-12,15-21,25,27H2,1-5H3/b14-13-/t31-,33+/m1/s1",CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](c1c[nH]c2ccc(C[C@@H]3OC3(C)C)cc12)C(C)(C)O,C36H57NO4,,567.428759304,VLEXYJYNPNSQRM,,,,Hexalobus crispiflorus,6284.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Monodoreae'],['Hexalobus'],['Hexalobus crispiflorus'],4,0,4.9729819893836975 976,114,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera fulvotomentosa,650610.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera fulvotomentosa'],7,3,8.5 977,114,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 978,114,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera macrantha,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 979,114,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-PNQZTZQXSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14+,16-/m0/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1C[C@](O)(C(=O)O)C[C@H](O)[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera bournei,5746380.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera bournei'],7,3,8.5 980,114,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera fulvotomentosa,650610.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera fulvotomentosa'],7,3,8.5 981,114,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera confusa,594829.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera confusa'],7,3,8.5 982,114,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera dasystyla,960340.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera dasystyla'],7,3,8.5 983,114,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera similis,960338.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera similis'],7,3,8.5 984,114,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera dasystyla,960340.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera dasystyla'],7,3,8.5 985,114,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera confusa,594829.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera confusa'],7,3,8.5 986,114,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera implexa,692207.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera implexa'],7,3,8.5 987,114,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera macrantha,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 988,114,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera hypoglauca,235196.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera hypoglauca'],7,3,8.5 989,114,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera implexa,692207.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera implexa'],7,3,8.5 990,114,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera similis,960338.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera similis'],7,3,8.5 991,114,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 992,114,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GWTUHAXUUFROTF-AVXJPILUSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-16(15(23)24)6-11(19)14(22)12(20)7-16/h1-5,11-12,14,17-20,22H,6-7H2,(H,23,24)/b4-2+/t11-,12-,14?,16?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC1(C(=O)O)C[C@@H](O)C(O)[C@H](O)C1,C16H18O9,pos_1_1proton,354.0950821559999,GWTUHAXUUFROTF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 993,114,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-PNQZTZQXSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14+,16-/m0/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1C[C@](O)(C(=O)O)C[C@H](O)[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera bournei,5746380.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera bournei'],7,3,8.5 994,114,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GWTUHAXUUFROTF-AVXJPILUSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-16(15(23)24)6-11(19)14(22)12(20)7-16/h1-5,11-12,14,17-20,22H,6-7H2,(H,23,24)/b4-2+/t11-,12-,14?,16?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC1(C(=O)O)C[C@@H](O)C(O)[C@H](O)C1,C16H18O9,pos_1_1proton,354.0950821559999,GWTUHAXUUFROTF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,3,8.5 995,114,14,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera hypoglauca,235196.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera hypoglauca'],7,3,8.5 969,112,776,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,PUJPMGBYYYNBII-OGVVJMRYSA-N,"InChI=1S/C24H39NO4/c1-6-25-12-22(2)8-7-18(28-4)24-14-9-13-16(27-3)11-23(29-5,19(14)20(13)26)15(21(24)25)10-17(22)24/h13-21,26H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21-,22+,23+,24-/m1/s1",CCN1C[C@]2(C)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](OC)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C24H39NO4,pos_2_2proton1ammonium,405.2879087279999,PUJPMGBYYYNBII,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium verdunense,142827.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium verdunense'],6,1,6.5 968,111,789,Terpenoids,Triterpenoids,Friedelane triterpenoids,0.0,MS1_match,DPKBLLFCUGWECD-GTYQNAEWSA-N,"InChI=1S/C28H46O3/c1-18-19(29)7-8-20-24(18,3)10-9-21-25(20,4)12-13-27(6)22-17-23(2,30)11-15-28(22,31)16-14-26(21,27)5/h18,20-22,30-31H,7-17H2,1-6H3/t18-,20+,21-,22-,23+,24+,25-,26+,27-,28-/m0/s1",C[C@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(O)CC[C@]3(O)CC[C@]12C,C28H46O3,pos_1_sodium,430.344695332,DPKBLLFCUGWECD,Terpenoids,Triterpenoids,Friedelane triterpenoids,Euonymus laxiflorus,310705.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus laxiflorus'],7,3,8.5 966,110,-1,,,,0.0,MS1_match,FKARAOWYAAUAFW-MGRBCSRPSA-N,"InChI=1S/C28H40O4/c1-15-13-21-26(4,24(32)22(15)30)10-12-27(5)20-8-7-17-16(2)23(31)19(29)14-18(17)25(20,3)9-11-28(21,27)6/h14-15,20-21,24,29,31-32H,7-13H2,1-6H3/t15-,20+,21-,24-,25+,26-,27-,28+/m1/s1",Cc1c(O)c(O)cc2c1CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@@H](C)C(=O)[C@@H](O)[C@]3(C)CC[C@]12C,C28H40O4,pos_2_2sodium,440.29265976,FKARAOWYAAUAFW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Salacia chinensis,380833.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Salacia'],['Salacia chinensis'],6,0,6.0 967,110,-1,,,,0.0,MS1_match,FKARAOWYAAUAFW-MGRBCSRPSA-N,"InChI=1S/C28H40O4/c1-15-13-21-26(4,24(32)22(15)30)10-12-27(5)20-8-7-17-16(2)23(31)19(29)14-18(17)25(20,3)9-11-28(21,27)6/h14-15,20-21,24,29,31-32H,7-13H2,1-6H3/t15-,20+,21-,24-,25+,26-,27-,28+/m1/s1",Cc1c(O)c(O)cc2c1CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@@H](C)C(=O)[C@@H](O)[C@]3(C)CC[C@]12C,C28H40O4,pos_2_2sodium,440.29265976,FKARAOWYAAUAFW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Tripterygium wilfordii,300831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium wilfordii'],6,0,6.0 890,105,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.22556758,ISDB,RAYZRCGMIDUTKS-RJFLBQOQSA-N,"InChI=1S/C17H24O10/c1-3-7-8-4-11(23-2)26-15(22)9(8)6-24-16(7)27-17-14(21)13(20)12(19)10(5-18)25-17/h3,6-8,10-14,16-21H,1,4-5H2,2H3/t7-,8+,10-,11+,12-,13+,14-,16+,17+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)O[C@H](OC)C[C@H]21,C17H24O10,,388.1369469679999,RAYZRCGMIDUTKS,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,2,8.902270317077637 891,105,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.22556758,ISDB,RAYZRCGMIDUTKS-UHFFFAOYSA-N,"InChI=1S/C17H24O10/c1-3-7-8-4-11(23-2)26-15(22)9(8)6-24-16(7)27-17-14(21)13(20)12(19)10(5-18)25-17/h3,6-8,10-14,16-21H,1,4-5H2,2H3",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C2C(=O)OC(OC)CC21,C17H24O10,,388.136946968,RAYZRCGMIDUTKS,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera fulvotomentosa,650610.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera fulvotomentosa'],7,2,8.902270317077637 892,105,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.22556758,ISDB,RAYZRCGMIDUTKS-UHFFFAOYSA-N,"InChI=1S/C17H24O10/c1-3-7-8-4-11(23-2)26-15(22)9(8)6-24-16(7)27-17-14(21)13(20)12(19)10(5-18)25-17/h3,6-8,10-14,16-21H,1,4-5H2,2H3",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C2C(=O)OC(OC)CC21,C17H24O10,,388.136946968,RAYZRCGMIDUTKS,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera macrantha,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,2,8.902270317077637 893,105,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.22556758,ISDB,RAYZRCGMIDUTKS-UHFFFAOYSA-N,"InChI=1S/C17H24O10/c1-3-7-8-4-11(23-2)26-15(22)9(8)6-24-16(7)27-17-14(21)13(20)12(19)10(5-18)25-17/h3,6-8,10-14,16-21H,1,4-5H2,2H3",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C2C(=O)OC(OC)CC21,C17H24O10,,388.136946968,RAYZRCGMIDUTKS,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera hypoglauca,235196.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera hypoglauca'],7,2,8.902270317077637 894,105,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.22556758,ISDB,RAYZRCGMIDUTKS-UHFFFAOYSA-N,"InChI=1S/C17H24O10/c1-3-7-8-4-11(23-2)26-15(22)9(8)6-24-16(7)27-17-14(21)13(20)12(19)10(5-18)25-17/h3,6-8,10-14,16-21H,1,4-5H2,2H3",C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C2C(=O)OC(OC)CC21,C17H24O10,,388.136946968,RAYZRCGMIDUTKS,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera confusa,594829.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera confusa'],7,2,8.902270317077637 880,103,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_sodium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Dipsacus asper,365911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Dipsacus'],['Dipsacus asper'],6,0,6.0 881,103,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_sodium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Dipsacus inermis,776357.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Dipsacus'],['Dipsacus inermis'],6,0,6.0 882,103,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_sodium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Cephalaria procera,6061197.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Cephalaria'],['Cephalaria procera'],6,0,6.0 883,103,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_sodium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Cephalaria kotschyi,6061197.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Cephalaria'],['Cephalaria procera'],6,0,6.0 884,103,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_sodium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Cephalaria nachiczevanica,6061192.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Cephalaria'],['Cephalaria nachiczevanica'],6,0,6.0 885,103,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_sodium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Dipsacus asper,365911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Dipsacus'],['Dipsacus asper'],6,0,6.0 886,103,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_sodium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Dipsacus inermis,776357.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Dipsacus'],['Dipsacus inermis'],6,0,6.0 887,103,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_sodium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Cephalaria procera,6061197.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Cephalaria'],['Cephalaria procera'],6,0,6.0 888,103,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_sodium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Cephalaria kotschyi,6061197.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Cephalaria'],['Cephalaria procera'],6,0,6.0 889,103,16,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_sodium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Cephalaria nachiczevanica,6061192.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Cephalaria'],['Cephalaria nachiczevanica'],6,0,6.0 855,99,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,OCNYGKNIVPVPPX-HWKANZROSA-N,"InChI=1S/C10H10O4/c1-14-10(13)5-3-7-2-4-8(11)9(12)6-7/h2-6,11-12H,1H3/b5-3+",COC(=O)/C=C/c1ccc(O)c(O)c1,C10H10O4,pos_1_1proton1methanol,194.0579088,OCNYGKNIVPVPPX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lonicera bournei,5746380.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera bournei'],7,3,8.5 833,98,-1,,,,0.69286925,ISDB,GDLQIXUEVDYLAX-CWYSQHEVSA-N,"InChI=1S/C20H26O6/c1-10(2)12-8-20(24)17-11(16(12)23)5-6-13-18(3,9-21)14(22)7-15(25-26-20)19(13,17)4/h8,10,13,15,21,24H,5-7,9H2,1-4H3/t13-,15+,18+,19+,20+/m0/s1",CC(C)C1=C[C@@]2(O)OO[C@@H]3CC(=O)[C@](C)(CO)[C@@H]4CCC(=C2[C@]43C)C1=O,C20H26O6,,362.172938552,GDLQIXUEVDYLAX,Terpenoids,Diterpenoids,Abietane diterpenoids,Tripterygium wilfordii,300831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium wilfordii'],4,0,6.771476984024048 831,96,58,Polyketides,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,QUZHZFAQJATMCA-QAZQWDDOSA-N,"InChI=1S/C45H74O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,38-39,42-46,49-51H,3-4,9-10,15-16,21-37H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t38-,39-,42+,43+,44-,45-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C45H74O10,pos_1_1proton1ammonium,774.5281985680001,QUZHZFAQJATMCA,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Ranunculus fluitans,961752.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus fluitans'],6,3,7.5 832,96,58,Polyketides,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,QUZHZFAQJATMCA-QAZQWDDOSA-N,"InChI=1S/C45H74O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,38-39,42-46,49-51H,3-4,9-10,15-16,21-37H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t38-,39-,42+,43+,44-,45-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C45H74O10,pos_1_1proton1ammonium,774.5281985680001,QUZHZFAQJATMCA,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Ranunculus fluitans,961752.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus fluitans'],6,3,7.5 823,95,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,VKOBVWXKNCXXDE-UHFFFAOYSA-N,"InChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H,21,22)",CCCCCCCCCCCCCCCCCCCC(=O)O,C20H40O2,pos_1_1proton1acetonitrile,312.30283052,VKOBVWXKNCXXDE,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Nigella sativa,142360.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Nigelleae'],['Nigella'],['Nigella sativa'],6,2,7.0 824,95,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,VKOBVWXKNCXXDE-UHFFFAOYSA-N,"InChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H,21,22)",CCCCCCCCCCCCCCCCCCCC(=O)O,C20H40O2,pos_1_1proton1acetonitrile,312.30283052,VKOBVWXKNCXXDE,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Staphisagria macrosperma,969162.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Staphisagria'],['Staphisagria macrosperma'],6,2,7.0 825,95,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,VKOBVWXKNCXXDE-UHFFFAOYSA-N,"InChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H,21,22)",CCCCCCCCCCCCCCCCCCCC(=O)O,C20H40O2,pos_1_1proton1acetonitrile,312.30283052,VKOBVWXKNCXXDE,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Delphinium staphisagria,969162.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Staphisagria'],['Staphisagria macrosperma'],6,2,7.0 826,95,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,VKOBVWXKNCXXDE-UHFFFAOYSA-N,"InChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H,21,22)",CCCCCCCCCCCCCCCCCCCC(=O)O,C20H40O2,pos_1_1proton1acetonitrile,312.30283052,VKOBVWXKNCXXDE,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Delphinium consolida,756488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida ajacis'],6,2,7.0 827,95,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,VKOBVWXKNCXXDE-UHFFFAOYSA-N,"InChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H,21,22)",CCCCCCCCCCCCCCCCCCCC(=O)O,C20H40O2,pos_1_1proton1acetonitrile,312.30283052,VKOBVWXKNCXXDE,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Consolida regalis,733334.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida regalis'],6,2,7.0 828,95,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.0,MS1_match,VKOBVWXKNCXXDE-UHFFFAOYSA-N,"InChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H,21,22)",CCCCCCCCCCCCCCCCCCCC(=O)O,C20H40O2,pos_1_1proton1acetonitrile,312.30283052,VKOBVWXKNCXXDE,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Ranunculus sceleratus,747491.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus sceleratus'],6,2,7.0 816,91,-1,,,,0.0,MS1_match,VKOBVWXKNCXXDE-UHFFFAOYSA-N,"InChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H,21,22)",CCCCCCCCCCCCCCCCCCCC(=O)O,C20H40O2,pos_1_1proton1acetonitrile,312.30283052,VKOBVWXKNCXXDE,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Nigella sativa,142360.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Nigelleae'],['Nigella'],['Nigella sativa'],6,0,6.0 817,91,-1,,,,0.0,MS1_match,VKOBVWXKNCXXDE-UHFFFAOYSA-N,"InChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H,21,22)",CCCCCCCCCCCCCCCCCCCC(=O)O,C20H40O2,pos_1_1proton1acetonitrile,312.30283052,VKOBVWXKNCXXDE,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Staphisagria macrosperma,969162.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Staphisagria'],['Staphisagria macrosperma'],6,0,6.0 818,91,-1,,,,0.0,MS1_match,VKOBVWXKNCXXDE-UHFFFAOYSA-N,"InChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H,21,22)",CCCCCCCCCCCCCCCCCCCC(=O)O,C20H40O2,pos_1_1proton1acetonitrile,312.30283052,VKOBVWXKNCXXDE,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Delphinium staphisagria,969162.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Staphisagria'],['Staphisagria macrosperma'],6,0,6.0 819,91,-1,,,,0.0,MS1_match,VKOBVWXKNCXXDE-UHFFFAOYSA-N,"InChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H,21,22)",CCCCCCCCCCCCCCCCCCCC(=O)O,C20H40O2,pos_1_1proton1acetonitrile,312.30283052,VKOBVWXKNCXXDE,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Delphinium consolida,756488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida ajacis'],6,0,6.0 820,91,-1,,,,0.0,MS1_match,VKOBVWXKNCXXDE-UHFFFAOYSA-N,"InChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H,21,22)",CCCCCCCCCCCCCCCCCCCC(=O)O,C20H40O2,pos_1_1proton1acetonitrile,312.30283052,VKOBVWXKNCXXDE,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Consolida regalis,733334.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida regalis'],6,0,6.0 821,91,-1,,,,0.0,MS1_match,VKOBVWXKNCXXDE-UHFFFAOYSA-N,"InChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H,21,22)",CCCCCCCCCCCCCCCCCCCC(=O)O,C20H40O2,pos_1_1proton1acetonitrile,312.30283052,VKOBVWXKNCXXDE,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Ranunculus sceleratus,747491.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus sceleratus'],6,0,6.0 815,87,4,Fatty acids,Fatty Acids and Conjugates,Monoacylglycerols,0.3027598,ISDB,MWQCBVWCBTUPDQ-HZJYTTRNSA-N,"InChI=1S/C22H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,24H,2-5,8,11-21H2,1H3,(H,23,25)/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)NCCO,C22H41NO2,,351.313729552,MWQCBVWCBTUPDQ,Fatty acids,Fatty amides,N-acyl ethanolamines (endocannabinoids),Trypanosoma brucei,494245.0,['Eukaryota'],['Unknown'],['Unknown'],['Unknown'],['Kinetoplastea'],['Unknown'],['Unknown'],['Trypanosoma'],['Trypanosoma brucei'],1,1,2.711039185523987 809,82,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,MLIXRKUBDYCIFK-HQJQHLMTSA-N,"InChI=1S/C11H14O3/c1-7-4-3-5-8-10(13)14-9(12)6-11(7,8)2/h5,7H,3-4,6H2,1-2H3/t7-,11+/m1/s1",C[C@@H]1CCC=C2C(=O)OC(=O)C[C@]21C,C11H14O3,pos_1_1proton1methanol,194.094294308,MLIXRKUBDYCIFK,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Nardostachys jatamansi,24101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Nardostachys'],['Nardostachys jatamansi'],6,1,6.5 810,82,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,UYGYXBOUYJLANA-CCXSFMJYSA-N,"InChI=1S/C11H14O3/c1-6-4-7(12)5-8-9(13)2-3-10(14)11(6)8/h2-3,5-7,10-12,14H,4H2,1H3/t6-,7-,10-,11+/m1/s1",C[C@@H]1C[C@@H](O)C=C2C(=O)C=C[C@@H](O)[C@H]21,C11H14O3,pos_1_1proton1methanol,194.094294308,UYGYXBOUYJLANA,Terpenoids,,,Nardostachys jatamansi,24101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Nardostachys'],['Nardostachys jatamansi'],6,1,6.5 794,81,219,Fatty acids,Fatty acyls,Fatty aldehydes,0.0,MS1_match,YIWUKEYIRIRTPP-UHFFFAOYSA-N,"InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3",CCCCC(CC)CO,C8H18O,pos_2MHCH3CN,130.135765196,YIWUKEYIRIRTPP,Fatty acids,Fatty acyls,Fatty alcohols,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],7,2,8.0 791,78,39,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,IZJKNGKMGFLJCM-NICCLXCISA-N,"InChI=1S/C36H52O20/c1-7-15-17(9-23(45-3)46-4)19(31(43)47-5)12-50-33(15)56-36-29(42)27(40)30-22(53-36)14-49-24(54-30)10-18-16(8-2)34(51-13-20(18)32(44)48-6)55-35-28(41)26(39)25(38)21(11-37)52-35/h7-8,12-13,15-18,21-30,33-42H,1-2,9-11,14H2,3-6H3/t15-,16-,17+,18+,21-,22-,24-,25-,26+,27-,28-,29-,30-,33+,34+,35+,36+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1C[C@@H]1OC[C@H]2O[C@@H](O[C@@H]3OC=C(C(=O)OC)[C@@H](CC(OC)OC)[C@H]3C=C)[C@H](O)[C@@H](O)[C@@H]2O1,C36H52O20,pos_2_2proton,804.3051940640003,IZJKNGKMGFLJCM,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Lonicera korolkowii,692192.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera korolkowii'],7,2,8.0 776,76,1312,Terpenoids,Diterpenoids,Glycerophosphocholines,0.79111505,ISDB,WTJKGGKOPKCXLL-VYOBOKEXSA-N,"InChI=1S/C42H82NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h20-21,40H,6-19,22-39H2,1-5H3/b21-20-/t40-/m1/s1",CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C,C42H82NO8P,,759.577805214,WTJKGGKOPKCXLL,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Vitis vinifera,756728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Vitales'],['Vitaceae'],['Viteae'],['Vitis'],['Vitis vinifera'],4,3,8.664460182189941 777,76,1312,Terpenoids,Diterpenoids,Glycerophosphocholines,0.79111505,ISDB,WTJKGGKOPKCXLL-PFDVCBLKSA-N,"InChI=1S/C42H82NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h20-21,40H,6-19,22-39H2,1-5H3/b21-20-/t40-/m0/s1",CCCCCCCC/C=C\CCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C,C42H82NO8P,,759.577805214,WTJKGGKOPKCXLL,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Dioscorea oppositifolia,981893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dioscoreales'],['Dioscoreaceae'],['Unknown'],['Dioscorea'],['Dioscorea oppositifolia'],4,3,8.664460182189941 775,67,219,Fatty acids,Fatty acyls,Fatty aldehydes,0.40271693,ISDB,SYELZBGXAIXKHU-UHFFFAOYSA-N,"InChI=1S/C14H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-15(2,3)16/h4-14H2,1-3H3",CCCCCCCCCCCC[N+](C)(C)[O-],C14H31NO,,229.240564612,SYELZBGXAIXKHU,Fatty acids,Fatty acyls,Hydrocarbons,Euglena gracilis,1073327.0,['Eukaryota'],['Unknown'],['Euglenida'],['Euglenophyceae'],['Unknown'],['Euglenaceae'],['Unknown'],['Euglena'],['Euglena gracilis'],1,2,3.610867738723755 763,56,213,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,ZHFDCOHUCIESBS-UHFFFAOYSA-N,"InChI=1S/C22H28O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h7-8,10,12,17,20-21H,6,9,11H2,1-5H3",CC(=O)OCC1=COC(OC(=O)C=C(C)C)C2C1=CC(OC(=O)CC(C)C)C21CO1,C22H28O8,pos_2_2proton,420.178417856,ZHFDCOHUCIESBS,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,3,7.5 764,56,213,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,ZHFDCOHUCIESBS-KVJIRVJXSA-N,"InChI=1S/C22H28O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h7-8,10,12,17,20-21H,6,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)C=C(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H28O8,pos_2_2proton,420.1784178559999,ZHFDCOHUCIESBS,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana sorbifolia,445623.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana sorbifolia'],6,3,7.5 765,56,213,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,ZHFDCOHUCIESBS-UHFFFAOYSA-N,"InChI=1S/C22H28O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h7-8,10,12,17,20-21H,6,9,11H2,1-5H3",CC(=O)OCC1=COC(OC(=O)C=C(C)C)C2C1=CC(OC(=O)CC(C)C)C21CO1,C22H28O8,pos_2_2proton,420.178417856,ZHFDCOHUCIESBS,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],6,3,7.5 766,56,213,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,ZHFDCOHUCIESBS-KVJIRVJXSA-N,"InChI=1S/C22H28O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h7-8,10,12,17,20-21H,6,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",CC(=O)OCC1=CO[C@@H](OC(=O)C=C(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,C22H28O8,pos_2_2proton,420.1784178559999,ZHFDCOHUCIESBS,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Valeriana sorbifolia,445623.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana sorbifolia'],6,3,7.5 748,47,-1,,,,0.5694044,ISDB,BEKKBGJECYLADF-UHFFFAOYSA-N,"InChI=1S/C26H28O6/c1-26(2)8-4-5-15-13-31-22-12-20(29)24-19(28)11-21(32-25(24)16(22)10-17(15)26)14-6-7-18(27)23(9-14)30-3/h6-7,9,11-12,15,17,27,29H,4-5,8,10,13H2,1-3H3",COc1cc(-c2cc(=O)c3c(O)cc4c(c3o2)CC2C(CCCC2(C)C)CO4)ccc1O,C26H28O6,,436.188588616,BEKKBGJECYLADF,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Helminthostachys zeylanica,178177.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Polypodiopsida'],['Ophioglossales'],['Ophioglossaceae'],['Unknown'],['Helminthostachys'],['Helminthostachys zeylanica'],0,0,2.2776176929473877 217,45,29,Terpenoids,Triterpenoids,"Carotenoids (C40, Ψ-Ψ)",0.5559807,ISDB,,,,,,,IIDHDVCHQXNTIU,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.2239227294921875 215,43,1251,,,,0.22895329,ISDB,,,,,,,XQQARSOXXGMYHZ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.915813148021698 31,42,374,Terpenoids,Steroids,Cholestane steroids,0.45504236,ISDB,DPKBLLFCUGWECD-GTYQNAEWSA-N,"InChI=1S/C28H46O3/c1-18-19(29)7-8-20-24(18,3)10-9-21-25(20,4)12-13-27(6)22-17-23(2,30)11-15-28(22,31)16-14-26(21,27)5/h18,20-22,30-31H,7-17H2,1-6H3/t18-,20+,21-,22-,23+,24+,25-,26+,27-,28-/m0/s1",C[C@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(O)CC[C@]3(O)CC[C@]12C,C28H46O3,,430.344695332,DPKBLLFCUGWECD,Terpenoids,Triterpenoids,Friedelane triterpenoids,Euonymus laxiflorus,310705.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus laxiflorus'],7,1,9.320169448852539 25,41,73,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,QUZHZFAQJATMCA-QAZQWDDOSA-N,"InChI=1S/C45H74O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,38-39,42-46,49-51H,3-4,9-10,15-16,21-37H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t38-,39-,42+,43+,44-,45-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C45H74O10,pos_1_sodium,774.5281985680001,QUZHZFAQJATMCA,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Ranunculus fluitans,961752.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus fluitans'],6,0,6.0 26,41,73,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,QUZHZFAQJATMCA-QAZQWDDOSA-N,"InChI=1S/C45H74O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,38-39,42-46,49-51H,3-4,9-10,15-16,21-37H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t38-,39-,42+,43+,44-,45-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C45H74O10,pos_1_sodium,774.5281985680001,QUZHZFAQJATMCA,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Ranunculus fluitans,961752.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus fluitans'],6,0,6.0 24,33,219,Fatty acids,Fatty acyls,Fatty aldehydes,0.4877513,ISDB,,,,,,,OCHZTELGZBWSJD,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.951005220413208 6,27,776,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.50592273,ISDB,GZYSVGWNLDGWPZ-WOPDTQHZSA-N,"InChI=1S/C13H23NO2/c1-3-10(2)13(15)16-9-11-6-8-14-7-4-5-12(11)14/h10-12H,3-9H2,1-2H3/t10-,11+,12+/m1/s1",CC[C@@H](C)C(=O)OC[C@@H]1CCN2CCC[C@@H]12,C13H23NO2,,225.172878976,GZYSVGWNLDGWPZ,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Osyris alba,124275.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Santalales'],['Santalaceae'],['Unknown'],['Osyris'],['Osyris alba'],4,2,7.023690938949585 3,23,-1,,,,0.0,MS1_match,MNWFXJYAOYHMED-UHFFFAOYSA-N,"InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)",CCCCCCC(=O)O,C7H14O2,pos_1_1proton1methanol,130.099379688,MNWFXJYAOYHMED,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Staphisagria macrosperma,969162.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Staphisagria'],['Staphisagria macrosperma'],6,0,6.0 4,23,-1,,,,0.0,MS1_match,MNWFXJYAOYHMED-UHFFFAOYSA-N,"InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)",CCCCCCC(=O)O,C7H14O2,pos_1_1proton1methanol,130.099379688,MNWFXJYAOYHMED,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Delphinium staphisagria,969162.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Staphisagria'],['Staphisagria macrosperma'],6,0,6.0 0,16,907,Polyketides,Monoterpenoids,Chromones,0.0,MS1_match,JHUMCHQLYHVEBX-WORRYRDFSA-N,"InChI=1S/C21H26O10/c1-9(8-29-21-19(28)18(27)17(26)15(7-22)31-21)3-4-11-12(23)6-14(25)16-13(24)5-10(2)30-20(11)16/h3,5-6,15,17-19,21-23,25-28H,4,7-8H2,1-2H3/b9-3+/t15-,17-,18+,19-,21-/m1/s1",C/C(=C\Cc1c(O)cc(O)c2c(=O)cc(C)oc12)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C21H26O10,pos_2_2proton2acetonitrile,438.152597032,JHUMCHQLYHVEBX,Polyketides,Chromanes,Chromones,Eranthis hyemalis,756503.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Eranthis'],['Eranthis hyemalis'],6,3,7.5 1,16,907,Polyketides,Monoterpenoids,Chromones,0.0,MS1_match,QIPLCTWVYHJTQK-WORRYRDFSA-N,"InChI=1S/C21H26O10/c1-9(7-22)3-4-11-14(6-13(25)16-12(24)5-10(2)29-20(11)16)30-21-19(28)18(27)17(26)15(8-23)31-21/h3,5-6,15,17-19,21-23,25-28H,4,7-8H2,1-2H3/b9-3+/t15-,17-,18+,19-,21-/m1/s1",C/C(=C\Cc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c2c(=O)cc(C)oc12)CO,C21H26O10,pos_2_2proton2acetonitrile,438.152597032,QIPLCTWVYHJTQK,Polyketides,Chromanes,Chromones,Eranthis hyemalis,756503.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Eranthis'],['Eranthis hyemalis'],6,3,7.5 2,16,907,Polyketides,Monoterpenoids,Chromones,0.0,MS1_match,QIPLCTWVYHJTQK-WORRYRDFSA-N,"InChI=1S/C21H26O10/c1-9(7-22)3-4-11-14(6-13(25)16-12(24)5-10(2)29-20(11)16)30-21-19(28)18(27)17(26)15(8-23)31-21/h3,5-6,15,17-19,21-23,25-28H,4,7-8H2,1-2H3/b9-3+/t15-,17-,18+,19-,21-/m1/s1",C/C(=C\Cc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c2c(=O)cc(C)oc12)CO,C21H26O10,pos_2_2proton2acetonitrile,438.152597032,QIPLCTWVYHJTQK,Polyketides,Chromanes,Chromones,Eranthis cilicica,5922989.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Eranthis'],['Eranthis cilicica'],6,3,7.5